USER MOD reduce.3.24.130724 H: found=0, std=0, add=1230, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1230 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 33 ASN : amide:sc= -5.86! C(o=-9.4!,f=-8.2!) USER MOD Set 1.2: A 84 ASN : amide:sc= -3.58! C(o=-9.4!,f=-7!) USER MOD Single : A 1 ASN : amide:sc= -0.87 K(o=-0.87,f=-6.1!) USER MOD Single : A 1 ASN N :NH3+ -154:sc= 0.979 (180deg=0.498) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -5.89! C(o=-5.9!,f=-7!) USER MOD Single : A 9 SER OG : rot -84:sc= 0.674 USER MOD Single : A 11 THR OG1 : rot -168:sc= 1.02 USER MOD Single : A 13 LYS NZ :NH3+ 169:sc= 1.21 (180deg=0.95) USER MOD Single : A 17 LYS NZ :NH3+ -169:sc=-0.000309 (180deg=-0.124) USER MOD Single : A 18 THR OG1 : rot -89:sc= 0.144 USER MOD Single : A 21 LYS NZ :NH3+ -176:sc= 0.848 (180deg=0.842) USER MOD Single : A 22 THR OG1 : rot 90:sc= 1.12 USER MOD Single : A 34 ASN : amide:sc= -3.11! C(o=-3.1!,f=-5.9!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0749 USER MOD Single : A 38 THR OG1 : rot 13:sc= 0.904 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 166:sc= 1.2 (180deg=0.704) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot -160:sc= 1.55 USER MOD Single : A 59 GLN : amide:sc= -5.89! C(o=-5.9!,f=-2.2!) USER MOD Single : A 63 HIS : no HD1:sc= -3.27 K(o=-2.3,f=-7.5!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -99:sc= 0.986 USER MOD Single : A 93 ASN : amide:sc=-0.00685 X(o=-0.0068,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 27:sc= -1.25! USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -1.63! K(o=-1.6!,f=-0.1) USER MOD Single : A 107 LYS NZ :NH3+ 164:sc= -0.0542 (180deg=-0.293) USER MOD Single : A 108 LYS NZ :NH3+ 179:sc= 0.858 (180deg=0.841) USER MOD Single : A 109 THR OG1 : rot -3:sc= 0.485 USER MOD Single : A 115 HIS : no HE2:sc= -3.7! C(o=-3.7!,f=-6!) USER MOD Single : A 116 THR OG1 : rot 150:sc= -0.264 USER MOD Single : A 117 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.6!) USER MOD Single : A 121 MET CE :methyl -164:sc= -0.0898 (180deg=-0.501) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000175) USER MOD Single : A 125 HIS : no HE2:sc= -0.168 K(o=-0.17,f=-5.4!) USER MOD Single : A 127 LYS NZ :NH3+ -118:sc= 0 (180deg=-1.51) USER MOD Single : A 131 ASN : amide:sc= -1.55! K(o=-1.6!,f=-0.5) USER MOD Single : A 133 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ -108:sc= -1.76! (180deg=-4.13!) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0.014 USER MOD Single : A 142 GLN : amide:sc= -0.0674 X(o=-0.067,f=-0.11) USER MOD Single : A 143 SER OG : rot -161:sc= 0.0365 USER MOD Single : A 145 GLN : amide:sc= -0.675 X(o=-0.68,f=-0.7) USER MOD Single : A 147 LYS NZ :NH3+ -124:sc= -0.149 (180deg=-0.661!) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ -133:sc= 0.553 (180deg=-0.0184) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 7.073 13.281 -8.131 1.00 1.65 N ATOM 2 CA ASN A 1 6.619 13.189 -6.727 1.00 1.32 C ATOM 3 C ASN A 1 7.650 12.452 -5.864 1.00 1.24 C ATOM 4 O ASN A 1 7.703 11.224 -5.857 1.00 1.61 O ATOM 5 CB ASN A 1 5.239 12.508 -6.647 1.00 1.23 C ATOM 6 CG ASN A 1 5.194 11.127 -7.286 1.00 1.26 C ATOM 7 OD1 ASN A 1 5.892 10.855 -8.262 1.00 1.66 O ATOM 8 ND2 ASN A 1 4.364 10.244 -6.741 1.00 1.42 N ATOM 0 H1 ASN A 1 6.635 14.109 -8.584 1.00 1.65 H new ATOM 0 H2 ASN A 1 8.108 13.380 -8.155 1.00 1.65 H new ATOM 0 H3 ASN A 1 6.795 12.419 -8.643 1.00 1.65 H new ATOM 0 HA ASN A 1 6.520 14.201 -6.333 1.00 1.32 H new ATOM 0 HB2 ASN A 1 4.947 12.423 -5.600 1.00 1.23 H new ATOM 0 HB3 ASN A 1 4.501 13.146 -7.133 1.00 1.23 H new ATOM 0 HD21 ASN A 1 4.290 9.305 -7.132 1.00 1.42 H new ATOM 0 HD22 ASN A 1 3.801 10.505 -5.932 1.00 1.42 H new ATOM 17 N TYR A 2 8.478 13.228 -5.154 1.00 1.16 N ATOM 18 CA TYR A 2 9.533 12.692 -4.276 1.00 1.12 C ATOM 19 C TYR A 2 10.394 13.835 -3.752 1.00 1.22 C ATOM 20 O TYR A 2 10.737 13.876 -2.576 1.00 1.20 O ATOM 21 CB TYR A 2 10.422 11.657 -5.002 1.00 1.31 C ATOM 22 CG TYR A 2 11.222 12.204 -6.174 1.00 1.67 C ATOM 23 CD1 TYR A 2 12.510 12.693 -5.998 1.00 2.21 C ATOM 24 CD2 TYR A 2 10.682 12.233 -7.455 1.00 1.84 C ATOM 25 CE1 TYR A 2 13.235 13.193 -7.062 1.00 2.90 C ATOM 26 CE2 TYR A 2 11.403 12.728 -8.524 1.00 2.43 C ATOM 27 CZ TYR A 2 12.697 13.200 -8.312 1.00 2.97 C ATOM 28 OH TYR A 2 13.397 13.704 -9.384 1.00 3.73 O ATOM 0 H TYR A 2 8.438 14.247 -5.170 1.00 1.16 H new ATOM 0 HA TYR A 2 9.045 12.181 -3.446 1.00 1.12 H new ATOM 0 HB2 TYR A 2 11.114 11.225 -4.279 1.00 1.31 H new ATOM 0 HB3 TYR A 2 9.789 10.846 -5.361 1.00 1.31 H new ATOM 0 HD1 TYR A 2 12.952 12.682 -5.013 1.00 2.21 H new ATOM 0 HD2 TYR A 2 9.681 11.862 -7.617 1.00 1.84 H new ATOM 0 HE1 TYR A 2 14.231 13.579 -6.902 1.00 2.90 H new ATOM 0 HE2 TYR A 2 10.969 12.749 -9.513 1.00 2.43 H new ATOM 0 HH TYR A 2 12.854 13.624 -10.196 1.00 3.73 H new ATOM 38 N ASP A 3 10.718 14.773 -4.636 1.00 1.44 N ATOM 39 CA ASP A 3 11.580 15.898 -4.287 1.00 1.65 C ATOM 40 C ASP A 3 10.903 16.812 -3.262 1.00 1.53 C ATOM 41 O ASP A 3 11.501 17.122 -2.231 1.00 1.62 O ATOM 42 CB ASP A 3 11.986 16.666 -5.550 1.00 1.99 C ATOM 43 CG ASP A 3 12.860 17.868 -5.262 1.00 2.44 C ATOM 44 OD1 ASP A 3 14.037 17.677 -4.898 1.00 2.78 O ATOM 45 OD2 ASP A 3 12.367 19.007 -5.376 1.00 2.63 O ATOM 0 H ASP A 3 10.395 14.776 -5.604 1.00 1.44 H new ATOM 0 HA ASP A 3 12.487 15.512 -3.822 1.00 1.65 H new ATOM 0 HB2 ASP A 3 12.517 15.992 -6.222 1.00 1.99 H new ATOM 0 HB3 ASP A 3 11.087 16.995 -6.072 1.00 1.99 H new ATOM 50 N PRO A 4 9.661 17.272 -3.520 1.00 1.46 N ATOM 51 CA PRO A 4 8.864 17.951 -2.514 1.00 1.45 C ATOM 52 C PRO A 4 7.963 16.974 -1.755 1.00 1.27 C ATOM 53 O PRO A 4 8.204 16.673 -0.585 1.00 1.34 O ATOM 54 CB PRO A 4 8.030 18.944 -3.335 1.00 1.61 C ATOM 55 CG PRO A 4 8.126 18.499 -4.767 1.00 1.63 C ATOM 56 CD PRO A 4 8.952 17.237 -4.801 1.00 1.52 C ATOM 0 HA PRO A 4 9.474 18.431 -1.749 1.00 1.45 H new ATOM 0 HB2 PRO A 4 6.993 18.950 -2.999 1.00 1.61 H new ATOM 0 HB3 PRO A 4 8.409 19.959 -3.218 1.00 1.61 H new ATOM 0 HG2 PRO A 4 7.133 18.317 -5.178 1.00 1.63 H new ATOM 0 HG3 PRO A 4 8.587 19.275 -5.378 1.00 1.63 H new ATOM 0 HD2 PRO A 4 8.327 16.348 -4.892 1.00 1.52 H new ATOM 0 HD3 PRO A 4 9.643 17.229 -5.644 1.00 1.52 H new ATOM 64 N PHE A 5 6.937 16.466 -2.433 1.00 1.17 N ATOM 65 CA PHE A 5 6.005 15.523 -1.833 1.00 1.11 C ATOM 66 C PHE A 5 5.615 14.451 -2.844 1.00 0.94 C ATOM 67 O PHE A 5 5.537 14.718 -4.044 1.00 1.01 O ATOM 68 CB PHE A 5 4.733 16.239 -1.353 1.00 1.40 C ATOM 69 CG PHE A 5 4.969 17.334 -0.354 1.00 1.63 C ATOM 70 CD1 PHE A 5 5.037 18.658 -0.760 1.00 1.75 C ATOM 71 CD2 PHE A 5 5.114 17.043 0.993 1.00 2.34 C ATOM 72 CE1 PHE A 5 5.247 19.668 0.157 1.00 2.39 C ATOM 73 CE2 PHE A 5 5.325 18.049 1.915 1.00 3.21 C ATOM 74 CZ PHE A 5 5.391 19.363 1.498 1.00 3.19 C ATOM 0 H PHE A 5 6.732 16.696 -3.405 1.00 1.17 H new ATOM 0 HA PHE A 5 6.501 15.063 -0.978 1.00 1.11 H new ATOM 0 HB2 PHE A 5 4.221 16.659 -2.218 1.00 1.40 H new ATOM 0 HB3 PHE A 5 4.062 15.502 -0.912 1.00 1.40 H new ATOM 0 HD1 PHE A 5 4.924 18.902 -1.806 1.00 1.75 H new ATOM 0 HD2 PHE A 5 5.061 16.017 1.326 1.00 2.34 H new ATOM 0 HE1 PHE A 5 5.299 20.695 -0.172 1.00 2.39 H new ATOM 0 HE2 PHE A 5 5.438 17.808 2.962 1.00 3.21 H new ATOM 0 HZ PHE A 5 5.555 20.151 2.218 1.00 3.19 H new ATOM 84 N VAL A 6 5.402 13.237 -2.358 1.00 0.85 N ATOM 85 CA VAL A 6 4.806 12.180 -3.162 1.00 0.79 C ATOM 86 C VAL A 6 3.495 11.735 -2.523 1.00 0.69 C ATOM 87 O VAL A 6 3.447 11.398 -1.337 1.00 0.77 O ATOM 88 CB VAL A 6 5.773 10.980 -3.384 1.00 0.92 C ATOM 89 CG1 VAL A 6 6.830 10.906 -2.297 1.00 1.44 C ATOM 90 CG2 VAL A 6 5.015 9.661 -3.474 1.00 1.41 C ATOM 0 H VAL A 6 5.635 12.958 -1.405 1.00 0.85 H new ATOM 0 HA VAL A 6 4.602 12.583 -4.154 1.00 0.79 H new ATOM 0 HB VAL A 6 6.276 11.151 -4.336 1.00 0.92 H new ATOM 0 HG11 VAL A 6 7.487 10.056 -2.485 1.00 1.44 H new ATOM 0 HG12 VAL A 6 7.417 11.825 -2.297 1.00 1.44 H new ATOM 0 HG13 VAL A 6 6.347 10.784 -1.328 1.00 1.44 H new ATOM 0 HG21 VAL A 6 5.721 8.845 -3.629 1.00 1.41 H new ATOM 0 HG22 VAL A 6 4.465 9.494 -2.548 1.00 1.41 H new ATOM 0 HG23 VAL A 6 4.316 9.699 -4.309 1.00 1.41 H new ATOM 100 N ARG A 7 2.428 11.764 -3.305 1.00 0.64 N ATOM 101 CA ARG A 7 1.094 11.546 -2.774 1.00 0.56 C ATOM 102 C ARG A 7 0.299 10.554 -3.615 1.00 0.54 C ATOM 103 O ARG A 7 0.416 10.524 -4.840 1.00 0.64 O ATOM 104 CB ARG A 7 0.360 12.888 -2.715 1.00 0.57 C ATOM 105 CG ARG A 7 -1.103 12.794 -2.315 1.00 0.57 C ATOM 106 CD ARG A 7 -1.726 14.176 -2.224 1.00 0.71 C ATOM 107 NE ARG A 7 -1.904 14.585 -0.836 1.00 1.61 N ATOM 108 CZ ARG A 7 -1.079 15.380 -0.164 1.00 2.25 C ATOM 109 NH1 ARG A 7 -0.051 15.962 -0.767 1.00 2.26 N ATOM 110 NH2 ARG A 7 -1.309 15.612 1.118 1.00 3.37 N ATOM 0 H ARG A 7 2.461 11.936 -4.310 1.00 0.64 H new ATOM 0 HA ARG A 7 1.188 11.119 -1.776 1.00 0.56 H new ATOM 0 HB2 ARG A 7 0.875 13.538 -2.007 1.00 0.57 H new ATOM 0 HB3 ARG A 7 0.425 13.366 -3.692 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -1.646 12.192 -3.044 1.00 0.57 H new ATOM 0 HG3 ARG A 7 -1.190 12.287 -1.354 1.00 0.57 H new ATOM 0 HD2 ARG A 7 -1.093 14.898 -2.740 1.00 0.71 H new ATOM 0 HD3 ARG A 7 -2.690 14.177 -2.732 1.00 0.71 H new ATOM 0 HE ARG A 7 -2.725 14.234 -0.343 1.00 1.61 H new ATOM 0 HH11 ARG A 7 0.115 15.802 -1.761 1.00 2.26 H new ATOM 0 HH12 ARG A 7 0.574 16.570 -0.237 1.00 2.26 H new ATOM 0 HH21 ARG A 7 -2.112 15.182 1.578 1.00 3.37 H new ATOM 0 HH22 ARG A 7 -0.684 16.220 1.646 1.00 3.37 H new ATOM 124 N HIS A 8 -0.503 9.736 -2.947 1.00 0.47 N ATOM 125 CA HIS A 8 -1.463 8.889 -3.639 1.00 0.46 C ATOM 126 C HIS A 8 -2.857 9.405 -3.351 1.00 0.39 C ATOM 127 O HIS A 8 -3.205 9.653 -2.201 1.00 0.39 O ATOM 128 CB HIS A 8 -1.287 7.405 -3.215 1.00 0.56 C ATOM 129 CG HIS A 8 -2.540 6.628 -2.858 1.00 0.45 C ATOM 130 ND1 HIS A 8 -2.611 5.784 -1.765 1.00 0.46 N ATOM 131 CD2 HIS A 8 -3.747 6.530 -3.469 1.00 0.79 C ATOM 132 CE1 HIS A 8 -3.800 5.208 -1.726 1.00 0.41 C ATOM 133 NE2 HIS A 8 -4.506 5.642 -2.748 1.00 0.76 N ATOM 0 H HIS A 8 -0.508 9.641 -1.931 1.00 0.47 H new ATOM 0 HA HIS A 8 -1.294 8.926 -4.715 1.00 0.46 H new ATOM 0 HB2 HIS A 8 -0.785 6.880 -4.028 1.00 0.56 H new ATOM 0 HB3 HIS A 8 -0.617 7.377 -2.356 1.00 0.56 H new ATOM 0 HD2 HIS A 8 -4.055 7.055 -4.361 1.00 0.79 H new ATOM 0 HE1 HIS A 8 -4.135 4.501 -0.982 1.00 0.41 H new ATOM 0 HE2 HIS A 8 -5.462 5.364 -2.969 1.00 0.76 H new ATOM 142 N SER A 9 -3.661 9.531 -4.388 1.00 0.42 N ATOM 143 CA SER A 9 -5.026 9.970 -4.214 1.00 0.40 C ATOM 144 C SER A 9 -5.977 9.089 -5.006 1.00 0.41 C ATOM 145 O SER A 9 -5.969 9.075 -6.237 1.00 0.53 O ATOM 146 CB SER A 9 -5.173 11.436 -4.622 1.00 0.52 C ATOM 147 OG SER A 9 -4.237 12.255 -3.933 1.00 1.28 O ATOM 0 H SER A 9 -3.393 9.336 -5.353 1.00 0.42 H new ATOM 0 HA SER A 9 -5.285 9.883 -3.159 1.00 0.40 H new ATOM 0 HB2 SER A 9 -5.024 11.534 -5.697 1.00 0.52 H new ATOM 0 HB3 SER A 9 -6.186 11.777 -4.408 1.00 0.52 H new ATOM 0 HG SER A 9 -4.597 12.494 -3.053 1.00 1.28 H new ATOM 153 N VAL A 10 -6.767 8.332 -4.275 1.00 0.35 N ATOM 154 CA VAL A 10 -7.739 7.425 -4.860 1.00 0.36 C ATOM 155 C VAL A 10 -9.135 7.741 -4.334 1.00 0.32 C ATOM 156 O VAL A 10 -9.292 8.098 -3.171 1.00 0.32 O ATOM 157 CB VAL A 10 -7.369 5.959 -4.531 1.00 0.45 C ATOM 158 CG1 VAL A 10 -8.589 5.056 -4.539 1.00 1.27 C ATOM 159 CG2 VAL A 10 -6.319 5.443 -5.497 1.00 1.18 C ATOM 0 H VAL A 10 -6.755 8.326 -3.255 1.00 0.35 H new ATOM 0 HA VAL A 10 -7.731 7.555 -5.942 1.00 0.36 H new ATOM 0 HB VAL A 10 -6.955 5.944 -3.523 1.00 0.45 H new ATOM 0 HG11 VAL A 10 -8.288 4.035 -4.304 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -9.304 5.404 -3.794 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -9.052 5.079 -5.525 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -6.072 4.411 -5.249 1.00 1.18 H new ATOM 0 HG22 VAL A 10 -6.707 5.489 -6.515 1.00 1.18 H new ATOM 0 HG23 VAL A 10 -5.422 6.058 -5.422 1.00 1.18 H new ATOM 169 N THR A 11 -10.138 7.632 -5.187 1.00 0.35 N ATOM 170 CA THR A 11 -11.505 7.809 -4.748 1.00 0.34 C ATOM 171 C THR A 11 -12.316 6.561 -5.052 1.00 0.33 C ATOM 172 O THR A 11 -12.510 6.191 -6.211 1.00 0.43 O ATOM 173 CB THR A 11 -12.146 9.041 -5.414 1.00 0.46 C ATOM 174 OG1 THR A 11 -11.236 10.150 -5.360 1.00 0.57 O ATOM 175 CG2 THR A 11 -13.440 9.421 -4.716 1.00 0.51 C ATOM 0 H THR A 11 -10.030 7.423 -6.180 1.00 0.35 H new ATOM 0 HA THR A 11 -11.499 7.975 -3.671 1.00 0.34 H new ATOM 0 HB THR A 11 -12.367 8.792 -6.452 1.00 0.46 H new ATOM 0 HG1 THR A 11 -11.708 10.973 -5.608 1.00 0.57 H new ATOM 0 HG21 THR A 11 -13.874 10.294 -5.204 1.00 0.51 H new ATOM 0 HG22 THR A 11 -14.141 8.588 -4.771 1.00 0.51 H new ATOM 0 HG23 THR A 11 -13.235 9.654 -3.671 1.00 0.51 H new ATOM 183 N VAL A 12 -12.788 5.919 -3.999 1.00 0.29 N ATOM 184 CA VAL A 12 -13.471 4.654 -4.131 1.00 0.35 C ATOM 185 C VAL A 12 -14.982 4.831 -4.001 1.00 0.32 C ATOM 186 O VAL A 12 -15.456 5.860 -3.507 1.00 0.36 O ATOM 187 CB VAL A 12 -12.964 3.649 -3.089 1.00 0.43 C ATOM 188 CG1 VAL A 12 -11.449 3.549 -3.133 1.00 0.91 C ATOM 189 CG2 VAL A 12 -13.441 4.006 -1.692 1.00 0.81 C ATOM 0 H VAL A 12 -12.708 6.258 -3.040 1.00 0.29 H new ATOM 0 HA VAL A 12 -13.255 4.263 -5.125 1.00 0.35 H new ATOM 0 HB VAL A 12 -13.381 2.674 -3.339 1.00 0.43 H new ATOM 0 HG11 VAL A 12 -11.110 2.831 -2.386 1.00 0.91 H new ATOM 0 HG12 VAL A 12 -11.135 3.219 -4.123 1.00 0.91 H new ATOM 0 HG13 VAL A 12 -11.014 4.526 -2.921 1.00 0.91 H new ATOM 0 HG21 VAL A 12 -13.063 3.273 -0.980 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -13.072 4.996 -1.424 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -14.531 4.006 -1.669 1.00 0.81 H new ATOM 199 N LYS A 13 -15.729 3.820 -4.433 1.00 0.34 N ATOM 200 CA LYS A 13 -17.180 3.935 -4.545 1.00 0.38 C ATOM 201 C LYS A 13 -17.896 2.943 -3.632 1.00 0.31 C ATOM 202 O LYS A 13 -19.038 2.566 -3.898 1.00 0.37 O ATOM 203 CB LYS A 13 -17.635 3.691 -5.994 1.00 0.58 C ATOM 204 CG LYS A 13 -16.504 3.486 -6.994 1.00 0.68 C ATOM 205 CD LYS A 13 -15.814 4.790 -7.372 1.00 0.97 C ATOM 206 CE LYS A 13 -14.698 4.546 -8.378 1.00 0.88 C ATOM 207 NZ LYS A 13 -15.209 3.987 -9.657 1.00 0.98 N ATOM 0 H LYS A 13 -15.355 2.913 -4.711 1.00 0.34 H new ATOM 0 HA LYS A 13 -17.442 4.948 -4.240 1.00 0.38 H new ATOM 0 HB2 LYS A 13 -18.282 2.814 -6.014 1.00 0.58 H new ATOM 0 HB3 LYS A 13 -18.238 4.539 -6.318 1.00 0.58 H new ATOM 0 HG2 LYS A 13 -15.770 2.800 -6.571 1.00 0.68 H new ATOM 0 HG3 LYS A 13 -16.900 3.015 -7.893 1.00 0.68 H new ATOM 0 HD2 LYS A 13 -16.543 5.482 -7.793 1.00 0.97 H new ATOM 0 HD3 LYS A 13 -15.406 5.262 -6.478 1.00 0.97 H new ATOM 0 HE2 LYS A 13 -14.177 5.483 -8.575 1.00 0.88 H new ATOM 0 HE3 LYS A 13 -13.968 3.860 -7.949 1.00 0.88 H new ATOM 0 HZ1 LYS A 13 -14.454 4.010 -10.372 1.00 0.98 H new ATOM 0 HZ2 LYS A 13 -15.515 3.004 -9.509 1.00 0.98 H new ATOM 0 HZ3 LYS A 13 -16.016 4.555 -9.986 1.00 0.98 H new ATOM 221 N ALA A 14 -17.249 2.535 -2.549 1.00 0.29 N ATOM 222 CA ALA A 14 -17.869 1.593 -1.623 1.00 0.30 C ATOM 223 C ALA A 14 -17.507 1.911 -0.175 1.00 0.28 C ATOM 224 O ALA A 14 -17.543 1.034 0.694 1.00 0.31 O ATOM 225 CB ALA A 14 -17.484 0.166 -1.981 1.00 0.36 C ATOM 0 H ALA A 14 -16.309 2.835 -2.291 1.00 0.29 H new ATOM 0 HA ALA A 14 -18.950 1.693 -1.716 1.00 0.30 H new ATOM 0 HB1 ALA A 14 -17.955 -0.524 -1.281 1.00 0.36 H new ATOM 0 HB2 ALA A 14 -17.820 -0.059 -2.993 1.00 0.36 H new ATOM 0 HB3 ALA A 14 -16.401 0.057 -1.926 1.00 0.36 H new ATOM 231 N ASP A 15 -17.157 3.175 0.067 1.00 0.28 N ATOM 232 CA ASP A 15 -16.916 3.696 1.420 1.00 0.31 C ATOM 233 C ASP A 15 -15.606 3.172 2.029 1.00 0.28 C ATOM 234 O ASP A 15 -14.923 2.316 1.457 1.00 0.29 O ATOM 235 CB ASP A 15 -18.114 3.389 2.337 1.00 0.39 C ATOM 236 CG ASP A 15 -17.984 3.996 3.721 1.00 0.61 C ATOM 237 OD1 ASP A 15 -17.775 3.247 4.696 1.00 0.91 O ATOM 238 OD2 ASP A 15 -18.100 5.234 3.839 1.00 0.76 O ATOM 0 H ASP A 15 -17.032 3.870 -0.669 1.00 0.28 H new ATOM 0 HA ASP A 15 -16.808 4.777 1.334 1.00 0.31 H new ATOM 0 HB2 ASP A 15 -19.025 3.762 1.869 1.00 0.39 H new ATOM 0 HB3 ASP A 15 -18.223 2.309 2.431 1.00 0.39 H new ATOM 243 N ARG A 16 -15.273 3.708 3.198 1.00 0.28 N ATOM 244 CA ARG A 16 -14.004 3.464 3.863 1.00 0.27 C ATOM 245 C ARG A 16 -13.897 2.019 4.341 1.00 0.28 C ATOM 246 O ARG A 16 -12.794 1.484 4.471 1.00 0.28 O ATOM 247 CB ARG A 16 -13.864 4.435 5.041 1.00 0.29 C ATOM 248 CG ARG A 16 -12.435 4.752 5.419 1.00 0.28 C ATOM 249 CD ARG A 16 -12.328 6.138 6.039 1.00 0.40 C ATOM 250 NE ARG A 16 -13.119 6.283 7.258 1.00 0.93 N ATOM 251 CZ ARG A 16 -12.795 7.116 8.245 1.00 1.32 C ATOM 252 NH1 ARG A 16 -11.764 7.938 8.103 1.00 1.37 N ATOM 253 NH2 ARG A 16 -13.520 7.158 9.355 1.00 1.88 N ATOM 0 H ARG A 16 -15.889 4.334 3.716 1.00 0.28 H new ATOM 0 HA ARG A 16 -13.194 3.630 3.153 1.00 0.27 H new ATOM 0 HB2 ARG A 16 -14.377 5.364 4.794 1.00 0.29 H new ATOM 0 HB3 ARG A 16 -14.372 4.012 5.908 1.00 0.29 H new ATOM 0 HG2 ARG A 16 -12.068 4.006 6.123 1.00 0.28 H new ATOM 0 HG3 ARG A 16 -11.800 4.696 4.535 1.00 0.28 H new ATOM 0 HD2 ARG A 16 -11.283 6.349 6.264 1.00 0.40 H new ATOM 0 HD3 ARG A 16 -12.654 6.881 5.311 1.00 0.40 H new ATOM 0 HE ARG A 16 -13.962 5.718 7.358 1.00 0.93 H new ATOM 0 HH11 ARG A 16 -11.221 7.931 7.239 1.00 1.37 H new ATOM 0 HH12 ARG A 16 -11.514 8.577 8.857 1.00 1.37 H new ATOM 0 HH21 ARG A 16 -14.332 6.549 9.457 1.00 1.88 H new ATOM 0 HH22 ARG A 16 -13.265 7.799 10.107 1.00 1.88 H new ATOM 267 N LYS A 17 -15.047 1.397 4.596 1.00 0.33 N ATOM 268 CA LYS A 17 -15.093 -0.003 5.014 1.00 0.39 C ATOM 269 C LYS A 17 -14.352 -0.887 4.021 1.00 0.35 C ATOM 270 O LYS A 17 -13.513 -1.708 4.401 1.00 0.37 O ATOM 271 CB LYS A 17 -16.541 -0.486 5.129 1.00 0.53 C ATOM 272 CG LYS A 17 -17.336 0.190 6.230 1.00 1.34 C ATOM 273 CD LYS A 17 -18.783 -0.267 6.215 1.00 1.70 C ATOM 274 CE LYS A 17 -19.593 0.376 7.330 1.00 2.46 C ATOM 275 NZ LYS A 17 -19.124 -0.045 8.676 1.00 3.05 N ATOM 0 H LYS A 17 -15.962 1.842 4.520 1.00 0.33 H new ATOM 0 HA LYS A 17 -14.610 -0.072 5.989 1.00 0.39 H new ATOM 0 HB2 LYS A 17 -17.045 -0.318 4.177 1.00 0.53 H new ATOM 0 HB3 LYS A 17 -16.541 -1.562 5.304 1.00 0.53 H new ATOM 0 HG2 LYS A 17 -16.889 -0.037 7.198 1.00 1.34 H new ATOM 0 HG3 LYS A 17 -17.291 1.272 6.104 1.00 1.34 H new ATOM 0 HD2 LYS A 17 -19.231 -0.021 5.252 1.00 1.70 H new ATOM 0 HD3 LYS A 17 -18.822 -1.352 6.317 1.00 1.70 H new ATOM 0 HE2 LYS A 17 -19.527 1.461 7.246 1.00 2.46 H new ATOM 0 HE3 LYS A 17 -20.644 0.111 7.213 1.00 2.46 H new ATOM 0 HZ1 LYS A 17 -19.810 0.262 9.395 1.00 3.05 H new ATOM 0 HZ2 LYS A 17 -19.034 -1.081 8.704 1.00 3.05 H new ATOM 0 HZ3 LYS A 17 -18.199 0.388 8.873 1.00 3.05 H new ATOM 289 N THR A 18 -14.655 -0.700 2.747 1.00 0.35 N ATOM 290 CA THR A 18 -14.069 -1.515 1.703 1.00 0.36 C ATOM 291 C THR A 18 -12.673 -1.028 1.349 1.00 0.33 C ATOM 292 O THR A 18 -11.802 -1.829 1.025 1.00 0.37 O ATOM 293 CB THR A 18 -14.942 -1.522 0.439 1.00 0.41 C ATOM 294 OG1 THR A 18 -15.213 -0.177 0.041 1.00 1.11 O ATOM 295 CG2 THR A 18 -16.251 -2.259 0.687 1.00 0.80 C ATOM 0 H THR A 18 -15.305 0.011 2.413 1.00 0.35 H new ATOM 0 HA THR A 18 -14.006 -2.532 2.091 1.00 0.36 H new ATOM 0 HB THR A 18 -14.402 -2.040 -0.354 1.00 0.41 H new ATOM 0 HG1 THR A 18 -16.030 0.137 0.482 1.00 1.11 H new ATOM 0 HG21 THR A 18 -16.852 -2.250 -0.223 1.00 0.80 H new ATOM 0 HG22 THR A 18 -16.040 -3.290 0.972 1.00 0.80 H new ATOM 0 HG23 THR A 18 -16.800 -1.766 1.489 1.00 0.80 H new ATOM 303 N ALA A 19 -12.458 0.285 1.418 1.00 0.29 N ATOM 304 CA ALA A 19 -11.144 0.852 1.130 1.00 0.29 C ATOM 305 C ALA A 19 -10.091 0.287 2.079 1.00 0.28 C ATOM 306 O ALA A 19 -9.012 -0.114 1.649 1.00 0.32 O ATOM 307 CB ALA A 19 -11.176 2.373 1.205 1.00 0.31 C ATOM 0 H ALA A 19 -13.171 0.970 1.669 1.00 0.29 H new ATOM 0 HA ALA A 19 -10.873 0.571 0.112 1.00 0.29 H new ATOM 0 HB1 ALA A 19 -10.184 2.769 0.986 1.00 0.31 H new ATOM 0 HB2 ALA A 19 -11.889 2.758 0.477 1.00 0.31 H new ATOM 0 HB3 ALA A 19 -11.477 2.682 2.206 1.00 0.31 H new ATOM 313 N PHE A 20 -10.420 0.230 3.366 1.00 0.25 N ATOM 314 CA PHE A 20 -9.522 -0.341 4.363 1.00 0.26 C ATOM 315 C PHE A 20 -9.378 -1.842 4.154 1.00 0.31 C ATOM 316 O PHE A 20 -8.271 -2.379 4.182 1.00 0.33 O ATOM 317 CB PHE A 20 -10.040 -0.045 5.770 1.00 0.28 C ATOM 318 CG PHE A 20 -9.293 -0.759 6.863 1.00 0.30 C ATOM 319 CD1 PHE A 20 -8.126 -0.226 7.385 1.00 0.33 C ATOM 320 CD2 PHE A 20 -9.763 -1.960 7.375 1.00 0.34 C ATOM 321 CE1 PHE A 20 -7.443 -0.874 8.398 1.00 0.37 C ATOM 322 CE2 PHE A 20 -9.084 -2.613 8.384 1.00 0.38 C ATOM 323 CZ PHE A 20 -7.922 -2.070 8.897 1.00 0.38 C ATOM 0 H PHE A 20 -11.304 0.573 3.743 1.00 0.25 H new ATOM 0 HA PHE A 20 -8.539 0.117 4.249 1.00 0.26 H new ATOM 0 HB2 PHE A 20 -9.983 1.029 5.948 1.00 0.28 H new ATOM 0 HB3 PHE A 20 -11.093 -0.322 5.824 1.00 0.28 H new ATOM 0 HD1 PHE A 20 -7.745 0.707 6.996 1.00 0.33 H new ATOM 0 HD2 PHE A 20 -10.671 -2.389 6.979 1.00 0.34 H new ATOM 0 HE1 PHE A 20 -6.536 -0.446 8.799 1.00 0.37 H new ATOM 0 HE2 PHE A 20 -9.461 -3.548 8.772 1.00 0.38 H new ATOM 0 HZ PHE A 20 -7.389 -2.579 9.686 1.00 0.38 H new ATOM 333 N LYS A 21 -10.507 -2.515 3.946 1.00 0.35 N ATOM 334 CA LYS A 21 -10.509 -3.948 3.688 1.00 0.42 C ATOM 335 C LYS A 21 -9.601 -4.278 2.511 1.00 0.44 C ATOM 336 O LYS A 21 -8.715 -5.117 2.616 1.00 0.49 O ATOM 337 CB LYS A 21 -11.936 -4.428 3.402 1.00 0.49 C ATOM 338 CG LYS A 21 -12.043 -5.896 3.012 1.00 0.64 C ATOM 339 CD LYS A 21 -11.654 -6.812 4.159 1.00 1.24 C ATOM 340 CE LYS A 21 -11.922 -8.272 3.827 1.00 1.79 C ATOM 341 NZ LYS A 21 -11.040 -8.787 2.743 1.00 2.39 N ATOM 0 H LYS A 21 -11.433 -2.087 3.952 1.00 0.35 H new ATOM 0 HA LYS A 21 -10.132 -4.462 4.572 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -12.548 -4.255 4.287 1.00 0.49 H new ATOM 0 HB3 LYS A 21 -12.356 -3.821 2.600 1.00 0.49 H new ATOM 0 HG2 LYS A 21 -13.064 -6.116 2.701 1.00 0.64 H new ATOM 0 HG3 LYS A 21 -11.399 -6.093 2.155 1.00 0.64 H new ATOM 0 HD2 LYS A 21 -10.597 -6.679 4.389 1.00 1.24 H new ATOM 0 HD3 LYS A 21 -12.212 -6.533 5.053 1.00 1.24 H new ATOM 0 HE2 LYS A 21 -11.780 -8.876 4.723 1.00 1.79 H new ATOM 0 HE3 LYS A 21 -12.964 -8.387 3.527 1.00 1.79 H new ATOM 0 HZ1 LYS A 21 -11.310 -9.764 2.510 1.00 2.39 H new ATOM 0 HZ2 LYS A 21 -11.143 -8.189 1.898 1.00 2.39 H new ATOM 0 HZ3 LYS A 21 -10.050 -8.768 3.062 1.00 2.39 H new ATOM 355 N THR A 22 -9.816 -3.583 1.409 1.00 0.43 N ATOM 356 CA THR A 22 -9.072 -3.815 0.185 1.00 0.48 C ATOM 357 C THR A 22 -7.592 -3.471 0.354 1.00 0.49 C ATOM 358 O THR A 22 -6.720 -4.202 -0.114 1.00 0.68 O ATOM 359 CB THR A 22 -9.687 -2.992 -0.966 1.00 0.48 C ATOM 360 OG1 THR A 22 -11.077 -3.316 -1.082 1.00 0.48 O ATOM 361 CG2 THR A 22 -8.994 -3.261 -2.296 1.00 0.58 C ATOM 0 H THR A 22 -10.512 -2.841 1.338 1.00 0.43 H new ATOM 0 HA THR A 22 -9.138 -4.876 -0.055 1.00 0.48 H new ATOM 0 HB THR A 22 -9.555 -1.936 -0.731 1.00 0.48 H new ATOM 0 HG1 THR A 22 -11.602 -2.712 -0.517 1.00 0.48 H new ATOM 0 HG21 THR A 22 -9.460 -2.660 -3.077 1.00 0.58 H new ATOM 0 HG22 THR A 22 -7.939 -2.998 -2.216 1.00 0.58 H new ATOM 0 HG23 THR A 22 -9.086 -4.318 -2.547 1.00 0.58 H new ATOM 369 N PHE A 23 -7.317 -2.382 1.054 1.00 0.37 N ATOM 370 CA PHE A 23 -5.951 -1.903 1.213 1.00 0.38 C ATOM 371 C PHE A 23 -5.138 -2.811 2.133 1.00 0.38 C ATOM 372 O PHE A 23 -3.956 -3.049 1.889 1.00 0.43 O ATOM 373 CB PHE A 23 -5.962 -0.471 1.758 1.00 0.37 C ATOM 374 CG PHE A 23 -4.612 0.187 1.795 1.00 0.39 C ATOM 375 CD1 PHE A 23 -4.015 0.646 0.627 1.00 0.44 C ATOM 376 CD2 PHE A 23 -3.944 0.360 2.996 1.00 0.40 C ATOM 377 CE1 PHE A 23 -2.780 1.262 0.662 1.00 0.48 C ATOM 378 CE2 PHE A 23 -2.707 0.974 3.035 1.00 0.45 C ATOM 379 CZ PHE A 23 -2.126 1.425 1.867 1.00 0.48 C ATOM 0 H PHE A 23 -8.022 -1.812 1.522 1.00 0.37 H new ATOM 0 HA PHE A 23 -5.474 -1.916 0.233 1.00 0.38 H new ATOM 0 HB2 PHE A 23 -6.631 0.133 1.145 1.00 0.37 H new ATOM 0 HB3 PHE A 23 -6.376 -0.482 2.766 1.00 0.37 H new ATOM 0 HD1 PHE A 23 -4.522 0.519 -0.318 1.00 0.44 H new ATOM 0 HD2 PHE A 23 -4.396 0.011 3.913 1.00 0.40 H new ATOM 0 HE1 PHE A 23 -2.326 1.616 -0.252 1.00 0.48 H new ATOM 0 HE2 PHE A 23 -2.196 1.101 3.978 1.00 0.45 H new ATOM 0 HZ PHE A 23 -1.159 1.906 1.896 1.00 0.48 H new ATOM 389 N LEU A 24 -5.766 -3.325 3.187 1.00 0.35 N ATOM 390 CA LEU A 24 -5.026 -4.087 4.186 1.00 0.37 C ATOM 391 C LEU A 24 -5.525 -5.529 4.319 1.00 0.39 C ATOM 392 O LEU A 24 -4.755 -6.475 4.164 1.00 0.48 O ATOM 393 CB LEU A 24 -5.110 -3.390 5.547 1.00 0.40 C ATOM 394 CG LEU A 24 -3.916 -3.641 6.467 1.00 0.42 C ATOM 395 CD1 LEU A 24 -2.678 -2.967 5.899 1.00 0.50 C ATOM 396 CD2 LEU A 24 -4.195 -3.147 7.881 1.00 0.44 C ATOM 0 H LEU A 24 -6.765 -3.231 3.369 1.00 0.35 H new ATOM 0 HA LEU A 24 -3.991 -4.129 3.847 1.00 0.37 H new ATOM 0 HB2 LEU A 24 -5.207 -2.317 5.385 1.00 0.40 H new ATOM 0 HB3 LEU A 24 -6.017 -3.719 6.053 1.00 0.40 H new ATOM 0 HG LEU A 24 -3.743 -4.716 6.522 1.00 0.42 H new ATOM 0 HD11 LEU A 24 -1.830 -3.149 6.559 1.00 0.50 H new ATOM 0 HD12 LEU A 24 -2.463 -3.374 4.911 1.00 0.50 H new ATOM 0 HD13 LEU A 24 -2.852 -1.894 5.819 1.00 0.50 H new ATOM 0 HD21 LEU A 24 -3.327 -3.340 8.512 1.00 0.44 H new ATOM 0 HD22 LEU A 24 -4.397 -2.076 7.859 1.00 0.44 H new ATOM 0 HD23 LEU A 24 -5.061 -3.671 8.285 1.00 0.44 H new ATOM 408 N GLU A 25 -6.816 -5.694 4.589 1.00 0.40 N ATOM 409 CA GLU A 25 -7.358 -6.990 4.999 1.00 0.46 C ATOM 410 C GLU A 25 -7.767 -7.856 3.810 1.00 0.54 C ATOM 411 O GLU A 25 -8.534 -8.807 3.952 1.00 1.01 O ATOM 412 CB GLU A 25 -8.547 -6.760 5.919 1.00 0.51 C ATOM 413 CG GLU A 25 -8.196 -5.908 7.123 1.00 0.66 C ATOM 414 CD GLU A 25 -8.344 -6.659 8.425 1.00 0.91 C ATOM 415 OE1 GLU A 25 -7.748 -7.750 8.556 1.00 1.24 O ATOM 416 OE2 GLU A 25 -9.047 -6.164 9.325 1.00 1.18 O ATOM 0 H GLU A 25 -7.509 -4.948 4.532 1.00 0.40 H new ATOM 0 HA GLU A 25 -6.572 -7.533 5.524 1.00 0.46 H new ATOM 0 HB2 GLU A 25 -9.348 -6.278 5.358 1.00 0.51 H new ATOM 0 HB3 GLU A 25 -8.930 -7.722 6.259 1.00 0.51 H new ATOM 0 HG2 GLU A 25 -7.170 -5.553 7.026 1.00 0.66 H new ATOM 0 HG3 GLU A 25 -8.838 -5.027 7.140 1.00 0.66 H new ATOM 423 N GLY A 26 -7.257 -7.521 2.645 1.00 0.37 N ATOM 424 CA GLY A 26 -7.498 -8.318 1.462 1.00 0.45 C ATOM 425 C GLY A 26 -6.350 -8.186 0.504 1.00 0.48 C ATOM 426 O GLY A 26 -6.502 -8.359 -0.702 1.00 0.83 O ATOM 0 H GLY A 26 -6.671 -6.700 2.491 1.00 0.37 H new ATOM 0 HA2 GLY A 26 -7.630 -9.364 1.740 1.00 0.45 H new ATOM 0 HA3 GLY A 26 -8.422 -7.997 0.980 1.00 0.45 H new ATOM 430 N PHE A 27 -5.185 -7.929 1.076 1.00 0.42 N ATOM 431 CA PHE A 27 -4.006 -7.520 0.335 1.00 0.44 C ATOM 432 C PHE A 27 -3.735 -8.392 -0.898 1.00 0.47 C ATOM 433 O PHE A 27 -3.557 -7.853 -1.984 1.00 0.53 O ATOM 434 CB PHE A 27 -2.793 -7.504 1.270 1.00 0.48 C ATOM 435 CG PHE A 27 -1.525 -7.079 0.598 1.00 0.49 C ATOM 436 CD1 PHE A 27 -1.368 -5.781 0.149 1.00 0.57 C ATOM 437 CD2 PHE A 27 -0.487 -7.978 0.428 1.00 0.63 C ATOM 438 CE1 PHE A 27 -0.199 -5.383 -0.461 1.00 0.65 C ATOM 439 CE2 PHE A 27 0.685 -7.585 -0.182 1.00 0.74 C ATOM 440 CZ PHE A 27 0.810 -6.300 -0.669 1.00 0.71 C ATOM 0 H PHE A 27 -5.031 -8.000 2.082 1.00 0.42 H new ATOM 0 HA PHE A 27 -4.193 -6.516 -0.045 1.00 0.44 H new ATOM 0 HB2 PHE A 27 -2.996 -6.831 2.103 1.00 0.48 H new ATOM 0 HB3 PHE A 27 -2.655 -8.500 1.690 1.00 0.48 H new ATOM 0 HD1 PHE A 27 -2.171 -5.071 0.278 1.00 0.57 H new ATOM 0 HD2 PHE A 27 -0.596 -8.995 0.776 1.00 0.63 H new ATOM 0 HE1 PHE A 27 -0.073 -4.357 -0.775 1.00 0.65 H new ATOM 0 HE2 PHE A 27 1.504 -8.282 -0.279 1.00 0.74 H new ATOM 0 HZ PHE A 27 1.698 -6.012 -1.213 1.00 0.71 H new ATOM 450 N PRO A 28 -3.686 -9.735 -0.767 1.00 0.49 N ATOM 451 CA PRO A 28 -3.386 -10.615 -1.898 1.00 0.57 C ATOM 452 C PRO A 28 -4.612 -11.213 -2.615 1.00 0.59 C ATOM 453 O PRO A 28 -4.457 -12.116 -3.439 1.00 0.76 O ATOM 454 CB PRO A 28 -2.615 -11.716 -1.188 1.00 0.73 C ATOM 455 CG PRO A 28 -3.362 -11.896 0.086 1.00 0.74 C ATOM 456 CD PRO A 28 -3.824 -10.516 0.483 1.00 0.52 C ATOM 0 HA PRO A 28 -2.874 -10.085 -2.701 1.00 0.57 H new ATOM 0 HB2 PRO A 28 -2.595 -12.634 -1.775 1.00 0.73 H new ATOM 0 HB3 PRO A 28 -1.579 -11.429 -1.009 1.00 0.73 H new ATOM 0 HG2 PRO A 28 -4.209 -12.570 -0.048 1.00 0.74 H new ATOM 0 HG3 PRO A 28 -2.725 -12.333 0.855 1.00 0.74 H new ATOM 0 HD2 PRO A 28 -4.854 -10.524 0.840 1.00 0.52 H new ATOM 0 HD3 PRO A 28 -3.212 -10.103 1.285 1.00 0.52 H new ATOM 464 N GLU A 29 -5.821 -10.731 -2.331 1.00 0.54 N ATOM 465 CA GLU A 29 -7.011 -11.399 -2.867 1.00 0.67 C ATOM 466 C GLU A 29 -7.680 -10.623 -4.010 1.00 0.69 C ATOM 467 O GLU A 29 -8.615 -11.126 -4.631 1.00 0.85 O ATOM 468 CB GLU A 29 -8.033 -11.680 -1.758 1.00 0.85 C ATOM 469 CG GLU A 29 -8.750 -10.447 -1.237 1.00 0.90 C ATOM 470 CD GLU A 29 -9.842 -10.789 -0.242 1.00 1.18 C ATOM 471 OE1 GLU A 29 -9.722 -10.401 0.936 1.00 1.21 O ATOM 472 OE2 GLU A 29 -10.820 -11.462 -0.632 1.00 1.49 O ATOM 0 H GLU A 29 -6.003 -9.910 -1.754 1.00 0.54 H new ATOM 0 HA GLU A 29 -6.659 -12.342 -3.284 1.00 0.67 H new ATOM 0 HB2 GLU A 29 -8.775 -12.384 -2.135 1.00 0.85 H new ATOM 0 HB3 GLU A 29 -7.524 -12.167 -0.927 1.00 0.85 H new ATOM 0 HG2 GLU A 29 -8.027 -9.782 -0.764 1.00 0.90 H new ATOM 0 HG3 GLU A 29 -9.184 -9.901 -2.075 1.00 0.90 H new ATOM 479 N TRP A 30 -7.213 -9.411 -4.292 1.00 0.64 N ATOM 480 CA TRP A 30 -7.812 -8.593 -5.355 1.00 0.81 C ATOM 481 C TRP A 30 -7.100 -8.795 -6.696 1.00 0.66 C ATOM 482 O TRP A 30 -6.537 -9.859 -6.954 1.00 0.74 O ATOM 483 CB TRP A 30 -7.767 -7.121 -4.972 1.00 1.07 C ATOM 484 CG TRP A 30 -8.161 -6.870 -3.561 1.00 1.18 C ATOM 485 CD1 TRP A 30 -7.429 -6.203 -2.637 1.00 0.50 C ATOM 486 CD2 TRP A 30 -9.361 -7.295 -2.899 1.00 2.35 C ATOM 487 NE1 TRP A 30 -8.099 -6.169 -1.447 1.00 0.80 N ATOM 488 CE2 TRP A 30 -9.287 -6.828 -1.579 1.00 2.05 C ATOM 489 CE3 TRP A 30 -10.492 -8.013 -3.293 1.00 3.66 C ATOM 490 CZ2 TRP A 30 -10.296 -7.055 -0.646 1.00 3.01 C ATOM 491 CZ3 TRP A 30 -11.494 -8.240 -2.368 1.00 4.62 C ATOM 492 CH2 TRP A 30 -11.391 -7.761 -1.058 1.00 4.29 C ATOM 0 H TRP A 30 -6.430 -8.972 -3.808 1.00 0.64 H new ATOM 0 HA TRP A 30 -8.848 -8.913 -5.470 1.00 0.81 H new ATOM 0 HB2 TRP A 30 -6.758 -6.741 -5.134 1.00 1.07 H new ATOM 0 HB3 TRP A 30 -8.429 -6.560 -5.632 1.00 1.07 H new ATOM 0 HD1 TRP A 30 -6.459 -5.763 -2.815 1.00 0.50 H new ATOM 0 HE1 TRP A 30 -7.764 -5.721 -0.594 1.00 0.80 H new ATOM 0 HE3 TRP A 30 -10.582 -8.385 -4.303 1.00 3.66 H new ATOM 0 HZ2 TRP A 30 -10.216 -6.686 0.366 1.00 3.01 H new ATOM 0 HZ3 TRP A 30 -12.371 -8.797 -2.662 1.00 4.62 H new ATOM 0 HH2 TRP A 30 -12.192 -7.953 -0.359 1.00 4.29 H new ATOM 503 N TRP A 31 -7.139 -7.762 -7.543 1.00 0.55 N ATOM 504 CA TRP A 31 -6.562 -7.831 -8.888 1.00 0.57 C ATOM 505 C TRP A 31 -5.220 -7.057 -9.081 1.00 0.60 C ATOM 506 O TRP A 31 -4.724 -7.029 -10.207 1.00 0.74 O ATOM 507 CB TRP A 31 -7.568 -7.284 -9.912 1.00 0.74 C ATOM 508 CG TRP A 31 -8.981 -7.745 -9.715 1.00 0.62 C ATOM 509 CD1 TRP A 31 -10.035 -6.980 -9.300 1.00 0.69 C ATOM 510 CD2 TRP A 31 -9.501 -9.062 -9.931 1.00 1.24 C ATOM 511 NE1 TRP A 31 -11.178 -7.740 -9.247 1.00 1.10 N ATOM 512 CE2 TRP A 31 -10.877 -9.021 -9.627 1.00 1.54 C ATOM 513 CE3 TRP A 31 -8.939 -10.271 -10.349 1.00 1.77 C ATOM 514 CZ2 TRP A 31 -11.694 -10.142 -9.734 1.00 2.31 C ATOM 515 CZ3 TRP A 31 -9.753 -11.382 -10.454 1.00 2.53 C ATOM 516 CH2 TRP A 31 -11.117 -11.311 -10.145 1.00 2.78 C ATOM 0 H TRP A 31 -7.567 -6.864 -7.319 1.00 0.55 H new ATOM 0 HA TRP A 31 -6.340 -8.887 -9.038 1.00 0.57 H new ATOM 0 HB2 TRP A 31 -7.548 -6.195 -9.874 1.00 0.74 H new ATOM 0 HB3 TRP A 31 -7.242 -7.574 -10.911 1.00 0.74 H new ATOM 0 HD1 TRP A 31 -9.977 -5.931 -9.050 1.00 0.69 H new ATOM 0 HE1 TRP A 31 -12.101 -7.405 -8.970 1.00 1.10 H new ATOM 0 HE3 TRP A 31 -7.887 -10.336 -10.586 1.00 1.77 H new ATOM 0 HZ2 TRP A 31 -12.747 -10.090 -9.501 1.00 2.31 H new ATOM 0 HZ3 TRP A 31 -9.330 -12.321 -10.780 1.00 2.53 H new ATOM 0 HH2 TRP A 31 -11.726 -12.199 -10.233 1.00 2.78 H new ATOM 527 N PRO A 32 -4.617 -6.362 -8.065 1.00 0.71 N ATOM 528 CA PRO A 32 -3.345 -5.636 -8.273 1.00 0.84 C ATOM 529 C PRO A 32 -2.143 -6.540 -8.574 1.00 0.85 C ATOM 530 O PRO A 32 -2.278 -7.621 -9.134 1.00 1.36 O ATOM 531 CB PRO A 32 -3.114 -4.916 -6.941 1.00 1.01 C ATOM 532 CG PRO A 32 -4.430 -4.904 -6.260 1.00 0.92 C ATOM 533 CD PRO A 32 -5.111 -6.160 -6.693 1.00 0.87 C ATOM 0 HA PRO A 32 -3.425 -4.984 -9.143 1.00 0.84 H new ATOM 0 HB2 PRO A 32 -2.367 -5.434 -6.340 1.00 1.01 H new ATOM 0 HB3 PRO A 32 -2.747 -3.902 -7.102 1.00 1.01 H new ATOM 0 HG2 PRO A 32 -4.312 -4.874 -5.177 1.00 0.92 H new ATOM 0 HG3 PRO A 32 -5.010 -4.025 -6.541 1.00 0.92 H new ATOM 0 HD2 PRO A 32 -4.855 -6.999 -6.046 1.00 0.87 H new ATOM 0 HD3 PRO A 32 -6.196 -6.058 -6.668 1.00 0.87 H new ATOM 541 N ASN A 33 -0.958 -6.075 -8.168 1.00 0.53 N ATOM 542 CA ASN A 33 0.310 -6.772 -8.415 1.00 0.57 C ATOM 543 C ASN A 33 0.352 -8.140 -7.712 1.00 0.67 C ATOM 544 O ASN A 33 1.279 -8.927 -7.895 1.00 0.72 O ATOM 545 CB ASN A 33 1.470 -5.889 -7.926 1.00 0.60 C ATOM 546 CG ASN A 33 2.834 -6.430 -8.300 1.00 0.82 C ATOM 547 OD1 ASN A 33 3.020 -6.999 -9.372 1.00 1.51 O ATOM 548 ND2 ASN A 33 3.796 -6.269 -7.405 1.00 0.76 N ATOM 0 H ASN A 33 -0.850 -5.200 -7.656 1.00 0.53 H new ATOM 0 HA ASN A 33 0.403 -6.954 -9.486 1.00 0.57 H new ATOM 0 HB2 ASN A 33 1.357 -4.889 -8.344 1.00 0.60 H new ATOM 0 HB3 ASN A 33 1.411 -5.791 -6.842 1.00 0.60 H new ATOM 0 HD21 ASN A 33 4.733 -6.624 -7.594 1.00 0.76 H new ATOM 0 HD22 ASN A 33 3.600 -5.790 -6.526 1.00 0.76 H new ATOM 555 N ASN A 34 -0.689 -8.426 -6.944 1.00 0.85 N ATOM 556 CA ASN A 34 -0.771 -9.642 -6.137 1.00 1.03 C ATOM 557 C ASN A 34 -1.270 -10.835 -6.950 1.00 1.40 C ATOM 558 O ASN A 34 -1.638 -11.866 -6.390 1.00 1.74 O ATOM 559 CB ASN A 34 -1.708 -9.407 -4.950 1.00 1.07 C ATOM 560 CG ASN A 34 -3.092 -8.935 -5.377 1.00 1.16 C ATOM 561 OD1 ASN A 34 -3.579 -9.252 -6.457 1.00 1.79 O ATOM 562 ND2 ASN A 34 -3.731 -8.152 -4.532 1.00 1.47 N ATOM 0 H ASN A 34 -1.506 -7.821 -6.860 1.00 0.85 H new ATOM 0 HA ASN A 34 0.234 -9.875 -5.785 1.00 1.03 H new ATOM 0 HB2 ASN A 34 -1.804 -10.331 -4.380 1.00 1.07 H new ATOM 0 HB3 ASN A 34 -1.265 -8.666 -4.284 1.00 1.07 H new ATOM 0 HD21 ASN A 34 -4.656 -7.793 -4.769 1.00 1.47 H new ATOM 0 HD22 ASN A 34 -3.301 -7.905 -3.641 1.00 1.47 H new ATOM 569 N PHE A 35 -1.243 -10.704 -8.267 1.00 1.51 N ATOM 570 CA PHE A 35 -1.830 -11.709 -9.160 1.00 1.98 C ATOM 571 C PHE A 35 -1.049 -13.031 -9.178 1.00 2.03 C ATOM 572 O PHE A 35 -1.391 -13.949 -9.928 1.00 2.51 O ATOM 573 CB PHE A 35 -1.953 -11.148 -10.586 1.00 2.40 C ATOM 574 CG PHE A 35 -0.758 -10.357 -11.052 1.00 2.92 C ATOM 575 CD1 PHE A 35 0.496 -10.947 -11.099 1.00 3.19 C ATOM 576 CD2 PHE A 35 -0.882 -9.035 -11.443 1.00 3.49 C ATOM 577 CE1 PHE A 35 1.599 -10.235 -11.526 1.00 3.91 C ATOM 578 CE2 PHE A 35 0.217 -8.317 -11.872 1.00 4.27 C ATOM 579 CZ PHE A 35 1.435 -8.879 -11.910 1.00 4.45 C ATOM 0 H PHE A 35 -0.821 -9.911 -8.749 1.00 1.51 H new ATOM 0 HA PHE A 35 -2.820 -11.935 -8.765 1.00 1.98 H new ATOM 0 HB2 PHE A 35 -2.116 -11.976 -11.276 1.00 2.40 H new ATOM 0 HB3 PHE A 35 -2.836 -10.512 -10.637 1.00 2.40 H new ATOM 0 HD1 PHE A 35 0.611 -11.978 -10.797 1.00 3.19 H new ATOM 0 HD2 PHE A 35 -1.851 -8.559 -11.412 1.00 3.49 H new ATOM 0 HE1 PHE A 35 2.572 -10.703 -11.567 1.00 3.91 H new ATOM 0 HE2 PHE A 35 0.095 -7.289 -12.181 1.00 4.27 H new ATOM 0 HZ PHE A 35 2.288 -8.301 -12.232 1.00 4.45 H new ATOM 589 N ARG A 36 -0.007 -13.136 -8.360 1.00 1.65 N ATOM 590 CA ARG A 36 0.803 -14.348 -8.308 1.00 1.75 C ATOM 591 C ARG A 36 1.202 -14.694 -6.877 1.00 1.59 C ATOM 592 O ARG A 36 1.426 -13.807 -6.048 1.00 1.48 O ATOM 593 CB ARG A 36 2.056 -14.195 -9.173 1.00 1.73 C ATOM 594 CG ARG A 36 1.770 -14.195 -10.665 1.00 1.84 C ATOM 595 CD ARG A 36 1.072 -15.477 -11.087 1.00 2.25 C ATOM 596 NE ARG A 36 0.921 -15.571 -12.535 1.00 2.72 N ATOM 597 CZ ARG A 36 -0.253 -15.635 -13.161 1.00 3.34 C ATOM 598 NH1 ARG A 36 -1.389 -15.518 -12.479 1.00 3.59 N ATOM 599 NH2 ARG A 36 -0.283 -15.792 -14.476 1.00 4.14 N ATOM 0 H ARG A 36 0.296 -12.398 -7.725 1.00 1.65 H new ATOM 0 HA ARG A 36 0.195 -15.164 -8.699 1.00 1.75 H new ATOM 0 HB2 ARG A 36 2.559 -13.265 -8.908 1.00 1.73 H new ATOM 0 HB3 ARG A 36 2.746 -15.007 -8.944 1.00 1.73 H new ATOM 0 HG2 ARG A 36 1.147 -13.337 -10.919 1.00 1.84 H new ATOM 0 HG3 ARG A 36 2.703 -14.086 -11.218 1.00 1.84 H new ATOM 0 HD2 ARG A 36 1.641 -16.334 -10.726 1.00 2.25 H new ATOM 0 HD3 ARG A 36 0.090 -15.526 -10.617 1.00 2.25 H new ATOM 0 HE ARG A 36 1.768 -15.589 -13.104 1.00 2.72 H new ATOM 0 HH11 ARG A 36 -1.365 -15.378 -11.469 1.00 3.59 H new ATOM 0 HH12 ARG A 36 -2.284 -15.568 -12.966 1.00 3.59 H new ATOM 0 HH21 ARG A 36 0.589 -15.863 -15.001 1.00 4.14 H new ATOM 0 HH22 ARG A 36 -1.178 -15.842 -14.963 1.00 4.14 H new ATOM 613 N THR A 37 1.326 -15.989 -6.609 1.00 1.75 N ATOM 614 CA THR A 37 1.646 -16.481 -5.279 1.00 1.72 C ATOM 615 C THR A 37 3.122 -16.279 -4.959 1.00 1.37 C ATOM 616 O THR A 37 3.969 -16.346 -5.852 1.00 1.37 O ATOM 617 CB THR A 37 1.272 -17.969 -5.154 1.00 2.19 C ATOM 618 OG1 THR A 37 1.555 -18.644 -6.389 1.00 2.53 O ATOM 619 CG2 THR A 37 -0.199 -18.129 -4.806 1.00 2.68 C ATOM 0 H THR A 37 1.207 -16.723 -7.307 1.00 1.75 H new ATOM 0 HA THR A 37 1.062 -15.908 -4.559 1.00 1.72 H new ATOM 0 HB THR A 37 1.865 -18.409 -4.353 1.00 2.19 H new ATOM 0 HG1 THR A 37 1.318 -19.591 -6.306 1.00 2.53 H new ATOM 0 HG21 THR A 37 -0.440 -19.189 -4.723 1.00 2.68 H new ATOM 0 HG22 THR A 37 -0.404 -17.635 -3.856 1.00 2.68 H new ATOM 0 HG23 THR A 37 -0.809 -17.678 -5.589 1.00 2.68 H new ATOM 627 N THR A 38 3.396 -15.990 -3.680 1.00 1.24 N ATOM 628 CA THR A 38 4.736 -15.632 -3.180 1.00 1.07 C ATOM 629 C THR A 38 5.384 -14.516 -4.004 1.00 1.09 C ATOM 630 O THR A 38 6.585 -14.264 -3.909 1.00 1.38 O ATOM 631 CB THR A 38 5.691 -16.845 -3.080 1.00 1.16 C ATOM 632 OG1 THR A 38 5.833 -17.514 -4.334 1.00 1.42 O ATOM 633 CG2 THR A 38 5.201 -17.833 -2.039 1.00 1.37 C ATOM 0 H THR A 38 2.684 -15.998 -2.950 1.00 1.24 H new ATOM 0 HA THR A 38 4.572 -15.261 -2.168 1.00 1.07 H new ATOM 0 HB THR A 38 6.665 -16.456 -2.783 1.00 1.16 H new ATOM 0 HG1 THR A 38 5.462 -16.954 -5.048 1.00 1.42 H new ATOM 0 HG21 THR A 38 5.888 -18.677 -1.987 1.00 1.37 H new ATOM 0 HG22 THR A 38 5.153 -17.343 -1.066 1.00 1.37 H new ATOM 0 HG23 THR A 38 4.209 -18.190 -2.315 1.00 1.37 H new ATOM 641 N LYS A 39 4.567 -13.828 -4.779 1.00 0.96 N ATOM 642 CA LYS A 39 5.000 -12.677 -5.542 1.00 1.09 C ATOM 643 C LYS A 39 4.484 -11.446 -4.823 1.00 1.22 C ATOM 644 O LYS A 39 5.262 -10.627 -4.342 1.00 1.97 O ATOM 645 CB LYS A 39 4.453 -12.777 -6.976 1.00 1.15 C ATOM 646 CG LYS A 39 5.044 -11.792 -7.984 1.00 1.49 C ATOM 647 CD LYS A 39 4.374 -10.428 -7.920 1.00 1.66 C ATOM 648 CE LYS A 39 4.603 -9.627 -9.192 1.00 2.28 C ATOM 649 NZ LYS A 39 6.014 -9.183 -9.341 1.00 2.90 N ATOM 0 H LYS A 39 3.579 -14.055 -4.896 1.00 0.96 H new ATOM 0 HA LYS A 39 6.086 -12.624 -5.617 1.00 1.09 H new ATOM 0 HB2 LYS A 39 4.627 -13.789 -7.341 1.00 1.15 H new ATOM 0 HB3 LYS A 39 3.373 -12.631 -6.944 1.00 1.15 H new ATOM 0 HG2 LYS A 39 6.112 -11.679 -7.795 1.00 1.49 H new ATOM 0 HG3 LYS A 39 4.940 -12.199 -8.990 1.00 1.49 H new ATOM 0 HD2 LYS A 39 3.304 -10.556 -7.759 1.00 1.66 H new ATOM 0 HD3 LYS A 39 4.761 -9.872 -7.066 1.00 1.66 H new ATOM 0 HE2 LYS A 39 4.324 -10.233 -10.054 1.00 2.28 H new ATOM 0 HE3 LYS A 39 3.950 -8.755 -9.190 1.00 2.28 H new ATOM 0 HZ1 LYS A 39 6.116 -8.642 -10.223 1.00 2.90 H new ATOM 0 HZ2 LYS A 39 6.276 -8.582 -8.534 1.00 2.90 H new ATOM 0 HZ3 LYS A 39 6.638 -10.014 -9.371 1.00 2.90 H new ATOM 663 N VAL A 40 3.157 -11.349 -4.748 1.00 1.04 N ATOM 664 CA VAL A 40 2.474 -10.363 -3.905 1.00 1.22 C ATOM 665 C VAL A 40 1.162 -10.978 -3.395 1.00 1.42 C ATOM 666 O VAL A 40 0.392 -10.360 -2.662 1.00 1.83 O ATOM 667 CB VAL A 40 2.166 -9.045 -4.669 1.00 1.30 C ATOM 668 CG1 VAL A 40 1.596 -7.985 -3.749 1.00 1.78 C ATOM 669 CG2 VAL A 40 3.400 -8.501 -5.352 1.00 1.40 C ATOM 0 H VAL A 40 2.522 -11.953 -5.271 1.00 1.04 H new ATOM 0 HA VAL A 40 3.135 -10.109 -3.077 1.00 1.22 H new ATOM 0 HB VAL A 40 1.421 -9.292 -5.425 1.00 1.30 H new ATOM 0 HG11 VAL A 40 1.394 -7.079 -4.320 1.00 1.78 H new ATOM 0 HG12 VAL A 40 0.669 -8.349 -3.305 1.00 1.78 H new ATOM 0 HG13 VAL A 40 2.314 -7.764 -2.960 1.00 1.78 H new ATOM 0 HG21 VAL A 40 3.149 -7.579 -5.877 1.00 1.40 H new ATOM 0 HG22 VAL A 40 4.168 -8.296 -4.606 1.00 1.40 H new ATOM 0 HG23 VAL A 40 3.774 -9.235 -6.066 1.00 1.40 H new ATOM 679 N GLY A 41 0.934 -12.229 -3.769 1.00 1.42 N ATOM 680 CA GLY A 41 -0.343 -12.861 -3.511 1.00 1.82 C ATOM 681 C GLY A 41 -0.199 -14.178 -2.784 1.00 1.67 C ATOM 682 O GLY A 41 -0.735 -15.197 -3.214 1.00 2.17 O ATOM 0 H GLY A 41 1.614 -12.819 -4.248 1.00 1.42 H new ATOM 0 HA2 GLY A 41 -0.965 -12.189 -2.919 1.00 1.82 H new ATOM 0 HA3 GLY A 41 -0.861 -13.026 -4.456 1.00 1.82 H new ATOM 686 N ALA A 42 0.550 -14.163 -1.696 1.00 1.12 N ATOM 687 CA ALA A 42 0.681 -15.335 -0.846 1.00 1.00 C ATOM 688 C ALA A 42 -0.391 -15.301 0.242 1.00 1.01 C ATOM 689 O ALA A 42 -1.048 -14.277 0.418 1.00 1.09 O ATOM 690 CB ALA A 42 2.074 -15.385 -0.242 1.00 0.80 C ATOM 0 H ALA A 42 1.079 -13.350 -1.379 1.00 1.12 H new ATOM 0 HA ALA A 42 0.539 -16.237 -1.441 1.00 1.00 H new ATOM 0 HB1 ALA A 42 2.164 -16.266 0.393 1.00 0.80 H new ATOM 0 HB2 ALA A 42 2.815 -15.436 -1.040 1.00 0.80 H new ATOM 0 HB3 ALA A 42 2.244 -14.489 0.354 1.00 0.80 H new ATOM 696 N PRO A 43 -0.593 -16.407 0.984 1.00 1.05 N ATOM 697 CA PRO A 43 -1.639 -16.492 2.020 1.00 1.15 C ATOM 698 C PRO A 43 -1.368 -15.622 3.256 1.00 1.08 C ATOM 699 O PRO A 43 -1.369 -16.115 4.385 1.00 1.40 O ATOM 700 CB PRO A 43 -1.634 -17.971 2.408 1.00 1.29 C ATOM 701 CG PRO A 43 -0.268 -18.452 2.069 1.00 1.48 C ATOM 702 CD PRO A 43 0.151 -17.677 0.855 1.00 1.11 C ATOM 0 HA PRO A 43 -2.592 -16.124 1.638 1.00 1.15 H new ATOM 0 HB2 PRO A 43 -1.847 -18.102 3.469 1.00 1.29 H new ATOM 0 HB3 PRO A 43 -2.395 -18.526 1.860 1.00 1.29 H new ATOM 0 HG2 PRO A 43 0.422 -18.285 2.896 1.00 1.48 H new ATOM 0 HG3 PRO A 43 -0.270 -19.523 1.867 1.00 1.48 H new ATOM 0 HD2 PRO A 43 1.228 -17.511 0.836 1.00 1.11 H new ATOM 0 HD3 PRO A 43 -0.107 -18.202 -0.065 1.00 1.11 H new ATOM 710 N LEU A 44 -1.154 -14.332 3.034 1.00 0.87 N ATOM 711 CA LEU A 44 -1.019 -13.369 4.119 1.00 0.85 C ATOM 712 C LEU A 44 -1.154 -11.943 3.589 1.00 0.81 C ATOM 713 O LEU A 44 -2.266 -11.440 3.424 1.00 1.24 O ATOM 714 CB LEU A 44 0.312 -13.538 4.860 1.00 0.95 C ATOM 715 CG LEU A 44 0.529 -12.564 6.023 1.00 1.26 C ATOM 716 CD1 LEU A 44 -0.578 -12.708 7.055 1.00 1.75 C ATOM 717 CD2 LEU A 44 1.885 -12.793 6.668 1.00 1.66 C ATOM 0 H LEU A 44 -1.069 -13.925 2.102 1.00 0.87 H new ATOM 0 HA LEU A 44 -1.823 -13.559 4.830 1.00 0.85 H new ATOM 0 HB2 LEU A 44 0.372 -14.557 5.242 1.00 0.95 H new ATOM 0 HB3 LEU A 44 1.127 -13.417 4.146 1.00 0.95 H new ATOM 0 HG LEU A 44 0.503 -11.549 5.626 1.00 1.26 H new ATOM 0 HD11 LEU A 44 -0.406 -12.008 7.873 1.00 1.75 H new ATOM 0 HD12 LEU A 44 -1.540 -12.493 6.589 1.00 1.75 H new ATOM 0 HD13 LEU A 44 -0.583 -13.726 7.444 1.00 1.75 H new ATOM 0 HD21 LEU A 44 2.019 -12.091 7.491 1.00 1.66 H new ATOM 0 HD22 LEU A 44 1.940 -13.813 7.048 1.00 1.66 H new ATOM 0 HD23 LEU A 44 2.670 -12.639 5.928 1.00 1.66 H new ATOM 729 N GLY A 45 -0.025 -11.297 3.320 1.00 0.61 N ATOM 730 CA GLY A 45 -0.048 -9.963 2.767 1.00 0.75 C ATOM 731 C GLY A 45 0.303 -8.907 3.794 1.00 0.61 C ATOM 732 O GLY A 45 1.267 -8.164 3.632 1.00 0.61 O ATOM 0 H GLY A 45 0.908 -11.679 3.477 1.00 0.61 H new ATOM 0 HA2 GLY A 45 0.654 -9.905 1.935 1.00 0.75 H new ATOM 0 HA3 GLY A 45 -1.039 -9.757 2.362 1.00 0.75 H new ATOM 736 N VAL A 46 -0.476 -8.847 4.861 1.00 0.54 N ATOM 737 CA VAL A 46 -0.274 -7.855 5.903 1.00 0.45 C ATOM 738 C VAL A 46 -0.414 -8.494 7.277 1.00 0.47 C ATOM 739 O VAL A 46 -1.278 -9.347 7.487 1.00 0.60 O ATOM 740 CB VAL A 46 -1.281 -6.689 5.792 1.00 0.47 C ATOM 741 CG1 VAL A 46 -1.053 -5.685 6.907 1.00 0.52 C ATOM 742 CG2 VAL A 46 -1.190 -6.009 4.430 1.00 0.49 C ATOM 0 H VAL A 46 -1.259 -9.478 5.029 1.00 0.54 H new ATOM 0 HA VAL A 46 0.733 -7.458 5.773 1.00 0.45 H new ATOM 0 HB VAL A 46 -2.286 -7.100 5.893 1.00 0.47 H new ATOM 0 HG11 VAL A 46 -1.770 -4.870 6.815 1.00 0.52 H new ATOM 0 HG12 VAL A 46 -1.184 -6.176 7.871 1.00 0.52 H new ATOM 0 HG13 VAL A 46 -0.041 -5.287 6.837 1.00 0.52 H new ATOM 0 HG21 VAL A 46 -1.911 -5.193 4.382 1.00 0.49 H new ATOM 0 HG22 VAL A 46 -0.184 -5.614 4.287 1.00 0.49 H new ATOM 0 HG23 VAL A 46 -1.410 -6.734 3.646 1.00 0.49 H new ATOM 752 N ASP A 47 0.429 -8.073 8.205 1.00 0.41 N ATOM 753 CA ASP A 47 0.384 -8.576 9.564 1.00 0.49 C ATOM 754 C ASP A 47 -0.058 -7.463 10.503 1.00 0.52 C ATOM 755 O ASP A 47 0.657 -6.475 10.683 1.00 0.57 O ATOM 756 CB ASP A 47 1.757 -9.090 9.985 1.00 0.58 C ATOM 757 CG ASP A 47 1.678 -10.043 11.154 1.00 0.79 C ATOM 758 OD1 ASP A 47 2.091 -11.213 10.997 1.00 1.11 O ATOM 759 OD2 ASP A 47 1.196 -9.629 12.224 1.00 0.95 O ATOM 0 H ASP A 47 1.157 -7.379 8.038 1.00 0.41 H new ATOM 0 HA ASP A 47 -0.328 -9.400 9.613 1.00 0.49 H new ATOM 0 HB2 ASP A 47 2.229 -9.592 9.141 1.00 0.58 H new ATOM 0 HB3 ASP A 47 2.393 -8.246 10.250 1.00 0.58 H new ATOM 764 N LYS A 48 -1.235 -7.618 11.090 1.00 0.63 N ATOM 765 CA LYS A 48 -1.811 -6.580 11.938 1.00 0.79 C ATOM 766 C LYS A 48 -1.198 -6.578 13.337 1.00 0.85 C ATOM 767 O LYS A 48 -1.079 -5.525 13.965 1.00 1.06 O ATOM 768 CB LYS A 48 -3.325 -6.758 12.032 1.00 1.01 C ATOM 769 CG LYS A 48 -4.085 -6.074 10.907 1.00 1.38 C ATOM 770 CD LYS A 48 -5.107 -7.002 10.274 1.00 1.34 C ATOM 771 CE LYS A 48 -4.442 -8.027 9.371 1.00 2.06 C ATOM 772 NZ LYS A 48 -5.431 -8.947 8.750 1.00 2.81 N ATOM 0 H LYS A 48 -1.813 -8.453 10.996 1.00 0.63 H new ATOM 0 HA LYS A 48 -1.584 -5.619 11.477 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -3.559 -7.822 12.024 1.00 1.01 H new ATOM 0 HB3 LYS A 48 -3.671 -6.363 12.987 1.00 1.01 H new ATOM 0 HG2 LYS A 48 -4.588 -5.188 11.294 1.00 1.38 H new ATOM 0 HG3 LYS A 48 -3.382 -5.734 10.147 1.00 1.38 H new ATOM 0 HD2 LYS A 48 -5.669 -7.514 11.055 1.00 1.34 H new ATOM 0 HD3 LYS A 48 -5.823 -6.417 9.697 1.00 1.34 H new ATOM 0 HE2 LYS A 48 -3.884 -7.513 8.588 1.00 2.06 H new ATOM 0 HE3 LYS A 48 -3.721 -8.606 9.949 1.00 2.06 H new ATOM 0 HZ1 LYS A 48 -4.979 -9.468 7.972 1.00 2.81 H new ATOM 0 HZ2 LYS A 48 -5.775 -9.620 9.464 1.00 2.81 H new ATOM 0 HZ3 LYS A 48 -6.232 -8.397 8.379 1.00 2.81 H new ATOM 786 N LYS A 49 -0.804 -7.748 13.825 1.00 0.80 N ATOM 787 CA LYS A 49 -0.253 -7.848 15.171 1.00 0.97 C ATOM 788 C LYS A 49 1.232 -7.508 15.177 1.00 1.14 C ATOM 789 O LYS A 49 1.737 -6.923 16.136 1.00 1.32 O ATOM 790 CB LYS A 49 -0.500 -9.238 15.769 1.00 1.08 C ATOM 791 CG LYS A 49 -0.018 -10.388 14.901 1.00 1.35 C ATOM 792 CD LYS A 49 -0.379 -11.731 15.510 1.00 1.66 C ATOM 793 CE LYS A 49 -0.054 -12.879 14.570 1.00 2.40 C ATOM 794 NZ LYS A 49 -0.557 -14.177 15.091 1.00 3.17 N ATOM 0 H LYS A 49 -0.854 -8.631 13.316 1.00 0.80 H new ATOM 0 HA LYS A 49 -0.769 -7.120 15.798 1.00 0.97 H new ATOM 0 HB2 LYS A 49 -0.004 -9.297 16.738 1.00 1.08 H new ATOM 0 HB3 LYS A 49 -1.568 -9.358 15.950 1.00 1.08 H new ATOM 0 HG2 LYS A 49 -0.460 -10.306 13.908 1.00 1.35 H new ATOM 0 HG3 LYS A 49 1.063 -10.323 14.775 1.00 1.35 H new ATOM 0 HD2 LYS A 49 0.162 -11.863 16.447 1.00 1.66 H new ATOM 0 HD3 LYS A 49 -1.442 -11.748 15.751 1.00 1.66 H new ATOM 0 HE2 LYS A 49 -0.495 -12.684 13.592 1.00 2.40 H new ATOM 0 HE3 LYS A 49 1.025 -12.938 14.427 1.00 2.40 H new ATOM 0 HZ1 LYS A 49 -0.316 -14.936 14.422 1.00 3.17 H new ATOM 0 HZ2 LYS A 49 -0.117 -14.375 16.013 1.00 3.17 H new ATOM 0 HZ3 LYS A 49 -1.590 -14.129 15.203 1.00 3.17 H new ATOM 808 N GLY A 50 1.926 -7.874 14.108 1.00 1.22 N ATOM 809 CA GLY A 50 3.319 -7.509 13.974 1.00 1.53 C ATOM 810 C GLY A 50 3.481 -6.072 13.525 1.00 1.14 C ATOM 811 O GLY A 50 4.406 -5.377 13.948 1.00 1.29 O ATOM 0 H GLY A 50 1.548 -8.417 13.332 1.00 1.22 H new ATOM 0 HA2 GLY A 50 3.826 -7.651 14.928 1.00 1.53 H new ATOM 0 HA3 GLY A 50 3.801 -8.171 13.255 1.00 1.53 H new ATOM 815 N GLY A 51 2.573 -5.625 12.668 1.00 0.77 N ATOM 816 CA GLY A 51 2.619 -4.265 12.178 1.00 0.65 C ATOM 817 C GLY A 51 3.536 -4.139 10.988 1.00 0.56 C ATOM 818 O GLY A 51 4.449 -3.316 10.981 1.00 0.60 O ATOM 0 H GLY A 51 1.802 -6.185 12.303 1.00 0.77 H new ATOM 0 HA2 GLY A 51 1.615 -3.942 11.901 1.00 0.65 H new ATOM 0 HA3 GLY A 51 2.959 -3.602 12.973 1.00 0.65 H new ATOM 822 N ARG A 52 3.296 -4.956 9.972 1.00 0.51 N ATOM 823 CA ARG A 52 4.156 -4.981 8.801 1.00 0.53 C ATOM 824 C ARG A 52 3.441 -5.615 7.613 1.00 0.50 C ATOM 825 O ARG A 52 2.409 -6.261 7.778 1.00 0.60 O ATOM 826 CB ARG A 52 5.416 -5.764 9.140 1.00 0.68 C ATOM 827 CG ARG A 52 5.121 -7.202 9.515 1.00 1.04 C ATOM 828 CD ARG A 52 6.228 -7.807 10.351 1.00 1.42 C ATOM 829 NE ARG A 52 5.874 -9.148 10.799 1.00 2.14 N ATOM 830 CZ ARG A 52 6.004 -9.576 12.051 1.00 2.80 C ATOM 831 NH1 ARG A 52 6.542 -8.792 12.977 1.00 2.98 N ATOM 832 NH2 ARG A 52 5.595 -10.794 12.374 1.00 3.72 N ATOM 0 H ARG A 52 2.513 -5.609 9.936 1.00 0.51 H new ATOM 0 HA ARG A 52 4.416 -3.960 8.522 1.00 0.53 H new ATOM 0 HB2 ARG A 52 6.092 -5.746 8.285 1.00 0.68 H new ATOM 0 HB3 ARG A 52 5.933 -5.275 9.966 1.00 0.68 H new ATOM 0 HG2 ARG A 52 4.183 -7.248 10.068 1.00 1.04 H new ATOM 0 HG3 ARG A 52 4.986 -7.793 8.609 1.00 1.04 H new ATOM 0 HD2 ARG A 52 7.148 -7.846 9.768 1.00 1.42 H new ATOM 0 HD3 ARG A 52 6.424 -7.172 11.215 1.00 1.42 H new ATOM 0 HE ARG A 52 5.503 -9.800 10.108 1.00 2.14 H new ATOM 0 HH11 ARG A 52 6.859 -7.854 12.730 1.00 2.98 H new ATOM 0 HH12 ARG A 52 6.639 -9.127 13.936 1.00 2.98 H new ATOM 0 HH21 ARG A 52 5.183 -11.399 11.664 1.00 3.72 H new ATOM 0 HH22 ARG A 52 5.693 -11.127 13.333 1.00 3.72 H new ATOM 846 N TRP A 53 3.992 -5.422 6.423 1.00 0.52 N ATOM 847 CA TRP A 53 3.440 -6.012 5.208 1.00 0.53 C ATOM 848 C TRP A 53 4.390 -7.072 4.674 1.00 0.57 C ATOM 849 O TRP A 53 5.541 -6.769 4.349 1.00 0.73 O ATOM 850 CB TRP A 53 3.218 -4.949 4.124 1.00 0.65 C ATOM 851 CG TRP A 53 2.167 -3.925 4.445 1.00 0.55 C ATOM 852 CD1 TRP A 53 1.884 -3.380 5.662 1.00 0.53 C ATOM 853 CD2 TRP A 53 1.270 -3.309 3.516 1.00 0.73 C ATOM 854 NE1 TRP A 53 0.865 -2.469 5.547 1.00 0.68 N ATOM 855 CE2 TRP A 53 0.471 -2.406 4.239 1.00 0.82 C ATOM 856 CE3 TRP A 53 1.064 -3.435 2.140 1.00 0.95 C ATOM 857 CZ2 TRP A 53 -0.515 -1.635 3.634 1.00 1.11 C ATOM 858 CZ3 TRP A 53 0.085 -2.669 1.541 1.00 1.20 C ATOM 859 CH2 TRP A 53 -0.693 -1.780 2.286 1.00 1.28 C ATOM 0 H TRP A 53 4.828 -4.857 6.271 1.00 0.52 H new ATOM 0 HA TRP A 53 2.479 -6.460 5.460 1.00 0.53 H new ATOM 0 HB2 TRP A 53 4.162 -4.435 3.942 1.00 0.65 H new ATOM 0 HB3 TRP A 53 2.944 -5.450 3.196 1.00 0.65 H new ATOM 0 HD1 TRP A 53 2.389 -3.629 6.583 1.00 0.53 H new ATOM 0 HE1 TRP A 53 0.466 -1.926 6.313 1.00 0.68 H new ATOM 0 HE3 TRP A 53 1.660 -4.120 1.555 1.00 0.95 H new ATOM 0 HZ2 TRP A 53 -1.118 -0.947 4.208 1.00 1.11 H new ATOM 0 HZ3 TRP A 53 -0.083 -2.758 0.478 1.00 1.20 H new ATOM 0 HH2 TRP A 53 -1.451 -1.195 1.787 1.00 1.28 H new ATOM 870 N TYR A 54 3.919 -8.310 4.624 1.00 0.49 N ATOM 871 CA TYR A 54 4.690 -9.410 4.060 1.00 0.58 C ATOM 872 C TYR A 54 3.779 -10.596 3.785 1.00 0.49 C ATOM 873 O TYR A 54 2.744 -10.770 4.435 1.00 0.52 O ATOM 874 CB TYR A 54 5.858 -9.819 4.974 1.00 0.75 C ATOM 875 CG TYR A 54 5.465 -10.467 6.289 1.00 0.58 C ATOM 876 CD1 TYR A 54 5.991 -11.701 6.658 1.00 0.73 C ATOM 877 CD2 TYR A 54 4.593 -9.840 7.167 1.00 0.61 C ATOM 878 CE1 TYR A 54 5.656 -12.287 7.866 1.00 1.06 C ATOM 879 CE2 TYR A 54 4.252 -10.422 8.368 1.00 0.95 C ATOM 880 CZ TYR A 54 4.785 -11.641 8.716 1.00 1.20 C ATOM 881 OH TYR A 54 4.453 -12.206 9.927 1.00 1.66 O ATOM 0 H TYR A 54 2.998 -8.580 4.970 1.00 0.49 H new ATOM 0 HA TYR A 54 5.124 -9.068 3.120 1.00 0.58 H new ATOM 0 HB2 TYR A 54 6.500 -10.509 4.427 1.00 0.75 H new ATOM 0 HB3 TYR A 54 6.454 -8.933 5.190 1.00 0.75 H new ATOM 0 HD1 TYR A 54 6.671 -12.210 5.991 1.00 0.73 H new ATOM 0 HD2 TYR A 54 4.175 -8.880 6.905 1.00 0.61 H new ATOM 0 HE1 TYR A 54 6.074 -13.244 8.141 1.00 1.06 H new ATOM 0 HE2 TYR A 54 3.567 -9.921 9.036 1.00 0.95 H new ATOM 0 HH TYR A 54 3.615 -11.815 10.251 1.00 1.66 H new ATOM 891 N GLU A 55 4.153 -11.399 2.812 1.00 0.52 N ATOM 892 CA GLU A 55 3.373 -12.556 2.444 1.00 0.56 C ATOM 893 C GLU A 55 4.146 -13.822 2.790 1.00 0.62 C ATOM 894 O GLU A 55 5.366 -13.782 2.963 1.00 0.81 O ATOM 895 CB GLU A 55 3.037 -12.501 0.949 1.00 0.73 C ATOM 896 CG GLU A 55 2.533 -11.138 0.492 1.00 0.81 C ATOM 897 CD GLU A 55 3.640 -10.267 -0.068 1.00 1.51 C ATOM 898 OE1 GLU A 55 3.733 -10.157 -1.300 1.00 1.94 O ATOM 899 OE2 GLU A 55 4.453 -9.736 0.720 1.00 2.12 O ATOM 0 H GLU A 55 5.000 -11.268 2.259 1.00 0.52 H new ATOM 0 HA GLU A 55 2.436 -12.563 3.001 1.00 0.56 H new ATOM 0 HB2 GLU A 55 3.926 -12.763 0.375 1.00 0.73 H new ATOM 0 HB3 GLU A 55 2.280 -13.253 0.726 1.00 0.73 H new ATOM 0 HG2 GLU A 55 1.763 -11.275 -0.268 1.00 0.81 H new ATOM 0 HG3 GLU A 55 2.064 -10.627 1.333 1.00 0.81 H new ATOM 906 N ILE A 56 3.444 -14.940 2.892 1.00 0.63 N ATOM 907 CA ILE A 56 4.076 -16.192 3.285 1.00 0.68 C ATOM 908 C ILE A 56 4.845 -16.779 2.113 1.00 0.70 C ATOM 909 O ILE A 56 4.255 -17.315 1.176 1.00 0.80 O ATOM 910 CB ILE A 56 3.043 -17.228 3.780 1.00 0.83 C ATOM 911 CG1 ILE A 56 2.188 -16.643 4.907 1.00 0.90 C ATOM 912 CG2 ILE A 56 3.750 -18.497 4.246 1.00 0.92 C ATOM 913 CD1 ILE A 56 2.981 -16.237 6.130 1.00 0.90 C ATOM 0 H ILE A 56 2.443 -15.007 2.710 1.00 0.63 H new ATOM 0 HA ILE A 56 4.756 -15.967 4.106 1.00 0.68 H new ATOM 0 HB ILE A 56 2.383 -17.482 2.951 1.00 0.83 H new ATOM 0 HG12 ILE A 56 1.651 -15.773 4.529 1.00 0.90 H new ATOM 0 HG13 ILE A 56 1.438 -17.378 5.200 1.00 0.90 H new ATOM 0 HG21 ILE A 56 3.011 -19.219 4.592 1.00 0.92 H new ATOM 0 HG22 ILE A 56 4.314 -18.925 3.417 1.00 0.92 H new ATOM 0 HG23 ILE A 56 4.431 -18.255 5.062 1.00 0.92 H new ATOM 0 HD11 ILE A 56 2.306 -15.832 6.884 1.00 0.90 H new ATOM 0 HD12 ILE A 56 3.496 -17.108 6.535 1.00 0.90 H new ATOM 0 HD13 ILE A 56 3.713 -15.478 5.854 1.00 0.90 H new ATOM 925 N ASP A 57 6.162 -16.647 2.154 1.00 0.65 N ATOM 926 CA ASP A 57 7.004 -17.167 1.088 1.00 0.72 C ATOM 927 C ASP A 57 7.428 -18.600 1.405 1.00 0.76 C ATOM 928 O ASP A 57 7.245 -19.075 2.528 1.00 0.96 O ATOM 929 CB ASP A 57 8.223 -16.269 0.866 1.00 0.84 C ATOM 930 CG ASP A 57 8.777 -16.396 -0.539 1.00 1.35 C ATOM 931 OD1 ASP A 57 8.460 -15.544 -1.387 1.00 1.71 O ATOM 932 OD2 ASP A 57 9.523 -17.354 -0.801 1.00 1.97 O ATOM 0 H ASP A 57 6.669 -16.187 2.910 1.00 0.65 H new ATOM 0 HA ASP A 57 6.428 -17.174 0.163 1.00 0.72 H new ATOM 0 HB2 ASP A 57 7.947 -15.231 1.054 1.00 0.84 H new ATOM 0 HB3 ASP A 57 8.999 -16.528 1.586 1.00 0.84 H new ATOM 937 N GLU A 58 8.033 -19.263 0.431 1.00 0.87 N ATOM 938 CA GLU A 58 8.206 -20.711 0.464 1.00 1.01 C ATOM 939 C GLU A 58 9.280 -21.179 1.450 1.00 1.04 C ATOM 940 O GLU A 58 9.112 -22.212 2.095 1.00 1.17 O ATOM 941 CB GLU A 58 8.500 -21.225 -0.947 1.00 1.35 C ATOM 942 CG GLU A 58 9.695 -20.570 -1.619 1.00 1.54 C ATOM 943 CD GLU A 58 9.683 -20.762 -3.122 1.00 2.04 C ATOM 944 OE1 GLU A 58 10.207 -19.885 -3.841 1.00 2.43 O ATOM 945 OE2 GLU A 58 9.122 -21.778 -3.590 1.00 2.21 O ATOM 0 H GLU A 58 8.417 -18.817 -0.402 1.00 0.87 H new ATOM 0 HA GLU A 58 7.270 -21.135 0.827 1.00 1.01 H new ATOM 0 HB2 GLU A 58 8.670 -22.301 -0.900 1.00 1.35 H new ATOM 0 HB3 GLU A 58 7.618 -21.068 -1.568 1.00 1.35 H new ATOM 0 HG2 GLU A 58 9.699 -19.504 -1.391 1.00 1.54 H new ATOM 0 HG3 GLU A 58 10.614 -20.987 -1.208 1.00 1.54 H new ATOM 952 N GLN A 59 10.376 -20.438 1.585 1.00 1.10 N ATOM 953 CA GLN A 59 11.447 -20.863 2.491 1.00 1.36 C ATOM 954 C GLN A 59 11.199 -20.380 3.919 1.00 1.39 C ATOM 955 O GLN A 59 11.986 -20.664 4.821 1.00 1.70 O ATOM 956 CB GLN A 59 12.834 -20.395 2.015 1.00 1.60 C ATOM 957 CG GLN A 59 13.066 -18.894 2.103 1.00 1.69 C ATOM 958 CD GLN A 59 12.395 -18.137 0.983 1.00 1.62 C ATOM 959 OE1 GLN A 59 12.982 -17.914 -0.071 1.00 2.39 O ATOM 960 NE2 GLN A 59 11.162 -17.732 1.206 1.00 1.40 N ATOM 0 H GLN A 59 10.548 -19.561 1.094 1.00 1.10 H new ATOM 0 HA GLN A 59 11.437 -21.953 2.482 1.00 1.36 H new ATOM 0 HB2 GLN A 59 13.596 -20.902 2.608 1.00 1.60 H new ATOM 0 HB3 GLN A 59 12.973 -20.710 0.981 1.00 1.60 H new ATOM 0 HG2 GLN A 59 12.692 -18.528 3.059 1.00 1.69 H new ATOM 0 HG3 GLN A 59 14.137 -18.694 2.081 1.00 1.69 H new ATOM 0 HE21 GLN A 59 10.711 -17.939 2.097 1.00 1.40 H new ATOM 0 HE22 GLN A 59 10.658 -17.212 0.488 1.00 1.40 H new ATOM 969 N GLY A 60 10.106 -19.660 4.134 1.00 1.19 N ATOM 970 CA GLY A 60 9.781 -19.234 5.482 1.00 1.39 C ATOM 971 C GLY A 60 9.545 -17.743 5.619 1.00 1.45 C ATOM 972 O GLY A 60 10.380 -17.030 6.176 1.00 2.29 O ATOM 0 H GLY A 60 9.448 -19.367 3.412 1.00 1.19 H new ATOM 0 HA2 GLY A 60 8.889 -19.764 5.814 1.00 1.39 H new ATOM 0 HA3 GLY A 60 10.592 -19.526 6.149 1.00 1.39 H new ATOM 976 N GLU A 61 8.402 -17.284 5.107 1.00 1.11 N ATOM 977 CA GLU A 61 7.939 -15.901 5.296 1.00 1.15 C ATOM 978 C GLU A 61 8.992 -14.873 4.894 1.00 1.26 C ATOM 979 O GLU A 61 9.024 -13.761 5.418 1.00 1.72 O ATOM 980 CB GLU A 61 7.519 -15.664 6.755 1.00 1.33 C ATOM 981 CG GLU A 61 6.347 -16.518 7.220 1.00 1.38 C ATOM 982 CD GLU A 61 6.703 -17.981 7.381 1.00 1.69 C ATOM 983 OE1 GLU A 61 6.331 -18.789 6.503 1.00 1.77 O ATOM 984 OE2 GLU A 61 7.356 -18.332 8.384 1.00 2.31 O ATOM 0 H GLU A 61 7.769 -17.857 4.549 1.00 1.11 H new ATOM 0 HA GLU A 61 7.078 -15.769 4.640 1.00 1.15 H new ATOM 0 HB2 GLU A 61 8.374 -15.859 7.402 1.00 1.33 H new ATOM 0 HB3 GLU A 61 7.258 -14.613 6.879 1.00 1.33 H new ATOM 0 HG2 GLU A 61 5.980 -16.133 8.171 1.00 1.38 H new ATOM 0 HG3 GLU A 61 5.531 -16.426 6.503 1.00 1.38 H new ATOM 991 N GLU A 62 9.824 -15.239 3.939 1.00 1.06 N ATOM 992 CA GLU A 62 10.886 -14.368 3.482 1.00 1.20 C ATOM 993 C GLU A 62 10.346 -13.431 2.412 1.00 1.00 C ATOM 994 O GLU A 62 10.533 -13.652 1.215 1.00 1.08 O ATOM 995 CB GLU A 62 12.025 -15.228 2.932 1.00 1.54 C ATOM 996 CG GLU A 62 13.213 -14.450 2.391 1.00 1.98 C ATOM 997 CD GLU A 62 13.945 -13.684 3.467 1.00 2.16 C ATOM 998 OE1 GLU A 62 13.896 -12.436 3.446 1.00 2.61 O ATOM 999 OE2 GLU A 62 14.556 -14.326 4.345 1.00 2.56 O ATOM 0 H GLU A 62 9.783 -16.140 3.462 1.00 1.06 H new ATOM 0 HA GLU A 62 11.265 -13.764 4.306 1.00 1.20 H new ATOM 0 HB2 GLU A 62 12.374 -15.891 3.723 1.00 1.54 H new ATOM 0 HB3 GLU A 62 11.631 -15.860 2.136 1.00 1.54 H new ATOM 0 HG2 GLU A 62 13.904 -15.140 1.907 1.00 1.98 H new ATOM 0 HG3 GLU A 62 12.869 -13.755 1.625 1.00 1.98 H new ATOM 1006 N HIS A 63 9.600 -12.430 2.842 1.00 0.90 N ATOM 1007 CA HIS A 63 9.071 -11.446 1.923 1.00 0.85 C ATOM 1008 C HIS A 63 9.417 -10.031 2.352 1.00 0.92 C ATOM 1009 O HIS A 63 9.794 -9.791 3.498 1.00 1.22 O ATOM 1010 CB HIS A 63 7.568 -11.619 1.752 1.00 0.96 C ATOM 1011 CG HIS A 63 7.200 -11.885 0.330 1.00 1.85 C ATOM 1012 ND1 HIS A 63 6.513 -10.992 -0.460 1.00 2.82 N ATOM 1013 CD2 HIS A 63 7.473 -12.945 -0.458 1.00 2.22 C ATOM 1014 CE1 HIS A 63 6.386 -11.492 -1.673 1.00 3.72 C ATOM 1015 NE2 HIS A 63 6.960 -12.678 -1.698 1.00 3.37 N ATOM 0 H HIS A 63 9.349 -12.279 3.819 1.00 0.90 H new ATOM 0 HA HIS A 63 9.544 -11.612 0.955 1.00 0.85 H new ATOM 0 HB2 HIS A 63 7.223 -12.443 2.377 1.00 0.96 H new ATOM 0 HB3 HIS A 63 7.057 -10.721 2.098 1.00 0.96 H new ATOM 0 HD2 HIS A 63 8.000 -13.841 -0.164 1.00 2.22 H new ATOM 0 HE1 HIS A 63 5.895 -11.011 -2.506 1.00 3.72 H new ATOM 0 HE2 HIS A 63 7.013 -13.295 -2.508 1.00 3.37 H new ATOM 1024 N THR A 64 9.279 -9.104 1.423 1.00 0.97 N ATOM 1025 CA THR A 64 9.575 -7.706 1.672 1.00 1.01 C ATOM 1026 C THR A 64 8.460 -6.831 1.108 1.00 1.50 C ATOM 1027 O THR A 64 8.176 -6.905 -0.089 1.00 2.27 O ATOM 1028 CB THR A 64 10.899 -7.319 0.982 1.00 1.03 C ATOM 1029 OG1 THR A 64 11.590 -8.500 0.545 1.00 1.77 O ATOM 1030 CG2 THR A 64 11.796 -6.529 1.912 1.00 1.44 C ATOM 0 H THR A 64 8.959 -9.299 0.474 1.00 0.97 H new ATOM 0 HA THR A 64 9.658 -7.554 2.748 1.00 1.01 H new ATOM 0 HB THR A 64 10.655 -6.694 0.123 1.00 1.03 H new ATOM 0 HG1 THR A 64 12.429 -8.245 0.107 1.00 1.77 H new ATOM 0 HG21 THR A 64 12.720 -6.272 1.395 1.00 1.44 H new ATOM 0 HG22 THR A 64 11.287 -5.616 2.220 1.00 1.44 H new ATOM 0 HG23 THR A 64 12.027 -7.130 2.792 1.00 1.44 H new ATOM 1038 N PHE A 65 7.809 -6.025 1.950 1.00 1.66 N ATOM 1039 CA PHE A 65 6.817 -5.091 1.436 1.00 2.32 C ATOM 1040 C PHE A 65 6.788 -3.765 2.202 1.00 1.96 C ATOM 1041 O PHE A 65 7.129 -2.724 1.640 1.00 2.43 O ATOM 1042 CB PHE A 65 5.422 -5.712 1.402 1.00 3.26 C ATOM 1043 CG PHE A 65 4.568 -5.116 0.321 1.00 4.27 C ATOM 1044 CD1 PHE A 65 4.365 -5.787 -0.874 1.00 4.99 C ATOM 1045 CD2 PHE A 65 3.948 -3.893 0.514 1.00 4.69 C ATOM 1046 CE1 PHE A 65 3.559 -5.249 -1.858 1.00 6.10 C ATOM 1047 CE2 PHE A 65 3.146 -3.350 -0.467 1.00 5.77 C ATOM 1048 CZ PHE A 65 3.028 -3.998 -1.700 1.00 6.48 C ATOM 0 H PHE A 65 7.947 -6.002 2.960 1.00 1.66 H new ATOM 0 HA PHE A 65 7.126 -4.867 0.415 1.00 2.32 H new ATOM 0 HB2 PHE A 65 5.507 -6.787 1.245 1.00 3.26 H new ATOM 0 HB3 PHE A 65 4.937 -5.568 2.368 1.00 3.26 H new ATOM 0 HD1 PHE A 65 4.843 -6.742 -1.038 1.00 4.99 H new ATOM 0 HD2 PHE A 65 4.094 -3.360 1.442 1.00 4.69 H new ATOM 0 HE1 PHE A 65 3.348 -5.816 -2.753 1.00 6.10 H new ATOM 0 HE2 PHE A 65 2.612 -2.429 -0.284 1.00 5.77 H new ATOM 0 HZ PHE A 65 2.521 -3.515 -2.522 1.00 6.48 H new ATOM 1058 N GLY A 66 6.383 -3.774 3.471 1.00 1.23 N ATOM 1059 CA GLY A 66 6.226 -2.507 4.168 1.00 0.93 C ATOM 1060 C GLY A 66 6.266 -2.606 5.683 1.00 0.80 C ATOM 1061 O GLY A 66 6.138 -3.689 6.259 1.00 0.96 O ATOM 0 H GLY A 66 6.166 -4.609 4.016 1.00 1.23 H new ATOM 0 HA2 GLY A 66 7.014 -1.828 3.841 1.00 0.93 H new ATOM 0 HA3 GLY A 66 5.277 -2.060 3.872 1.00 0.93 H new ATOM 1065 N LEU A 67 6.435 -1.447 6.319 1.00 0.64 N ATOM 1066 CA LEU A 67 6.499 -1.333 7.777 1.00 0.65 C ATOM 1067 C LEU A 67 5.296 -0.568 8.300 1.00 0.51 C ATOM 1068 O LEU A 67 5.236 0.646 8.142 1.00 0.54 O ATOM 1069 CB LEU A 67 7.728 -0.532 8.216 1.00 0.76 C ATOM 1070 CG LEU A 67 9.107 -1.115 7.932 1.00 0.64 C ATOM 1071 CD1 LEU A 67 9.417 -1.125 6.445 1.00 1.17 C ATOM 1072 CD2 LEU A 67 10.135 -0.296 8.683 1.00 1.14 C ATOM 0 H LEU A 67 6.532 -0.555 5.834 1.00 0.64 H new ATOM 0 HA LEU A 67 6.535 -2.350 8.168 1.00 0.65 H new ATOM 0 HB2 LEU A 67 7.676 0.446 7.739 1.00 0.76 H new ATOM 0 HB3 LEU A 67 7.651 -0.367 9.291 1.00 0.76 H new ATOM 0 HG LEU A 67 9.132 -2.152 8.267 1.00 0.64 H new ATOM 0 HD11 LEU A 67 10.409 -1.548 6.283 1.00 1.17 H new ATOM 0 HD12 LEU A 67 8.675 -1.729 5.923 1.00 1.17 H new ATOM 0 HD13 LEU A 67 9.390 -0.105 6.061 1.00 1.17 H new ATOM 0 HD21 LEU A 67 11.130 -0.698 8.493 1.00 1.14 H new ATOM 0 HD22 LEU A 67 10.091 0.740 8.346 1.00 1.14 H new ATOM 0 HD23 LEU A 67 9.925 -0.339 9.752 1.00 1.14 H new ATOM 1084 N ILE A 68 4.353 -1.227 8.938 1.00 0.43 N ATOM 1085 CA ILE A 68 3.218 -0.501 9.481 1.00 0.38 C ATOM 1086 C ILE A 68 3.649 0.342 10.674 1.00 0.45 C ATOM 1087 O ILE A 68 4.098 -0.183 11.693 1.00 0.61 O ATOM 1088 CB ILE A 68 2.061 -1.416 9.909 1.00 0.38 C ATOM 1089 CG1 ILE A 68 1.526 -2.206 8.715 1.00 0.38 C ATOM 1090 CG2 ILE A 68 0.955 -0.582 10.530 1.00 0.46 C ATOM 1091 CD1 ILE A 68 0.384 -3.138 9.060 1.00 0.44 C ATOM 0 H ILE A 68 4.344 -2.235 9.093 1.00 0.43 H new ATOM 0 HA ILE A 68 2.853 0.135 8.674 1.00 0.38 H new ATOM 0 HB ILE A 68 2.430 -2.128 10.647 1.00 0.38 H new ATOM 0 HG12 ILE A 68 1.193 -1.506 7.949 1.00 0.38 H new ATOM 0 HG13 ILE A 68 2.340 -2.788 8.283 1.00 0.38 H new ATOM 0 HG21 ILE A 68 0.135 -1.233 10.833 1.00 0.46 H new ATOM 0 HG22 ILE A 68 1.342 -0.056 11.403 1.00 0.46 H new ATOM 0 HG23 ILE A 68 0.593 0.143 9.801 1.00 0.46 H new ATOM 0 HD11 ILE A 68 0.059 -3.663 8.162 1.00 0.44 H new ATOM 0 HD12 ILE A 68 0.717 -3.862 9.803 1.00 0.44 H new ATOM 0 HD13 ILE A 68 -0.448 -2.561 9.464 1.00 0.44 H new ATOM 1103 N ARG A 69 3.518 1.650 10.533 1.00 0.43 N ATOM 1104 CA ARG A 69 3.871 2.574 11.595 1.00 0.55 C ATOM 1105 C ARG A 69 2.648 2.825 12.477 1.00 0.51 C ATOM 1106 O ARG A 69 2.779 3.186 13.646 1.00 0.67 O ATOM 1107 CB ARG A 69 4.379 3.898 11.005 1.00 0.70 C ATOM 1108 CG ARG A 69 5.426 3.735 9.903 1.00 1.19 C ATOM 1109 CD ARG A 69 6.769 3.284 10.440 1.00 0.74 C ATOM 1110 NE ARG A 69 7.367 4.266 11.344 1.00 1.08 N ATOM 1111 CZ ARG A 69 8.640 4.236 11.745 1.00 1.35 C ATOM 1112 NH1 ARG A 69 9.453 3.267 11.336 1.00 2.00 N ATOM 1113 NH2 ARG A 69 9.095 5.178 12.556 1.00 1.83 N ATOM 0 H ARG A 69 3.167 2.098 9.686 1.00 0.43 H new ATOM 0 HA ARG A 69 4.668 2.138 12.198 1.00 0.55 H new ATOM 0 HB2 ARG A 69 3.531 4.453 10.605 1.00 0.70 H new ATOM 0 HB3 ARG A 69 4.804 4.501 11.808 1.00 0.70 H new ATOM 0 HG2 ARG A 69 5.069 3.010 9.172 1.00 1.19 H new ATOM 0 HG3 ARG A 69 5.548 4.683 9.379 1.00 1.19 H new ATOM 0 HD2 ARG A 69 6.647 2.337 10.966 1.00 0.74 H new ATOM 0 HD3 ARG A 69 7.447 3.101 9.607 1.00 0.74 H new ATOM 0 HE ARG A 69 6.774 5.021 11.690 1.00 1.08 H new ATOM 0 HH11 ARG A 69 9.105 2.539 10.711 1.00 2.00 H new ATOM 0 HH12 ARG A 69 10.424 3.251 11.647 1.00 2.00 H new ATOM 0 HH21 ARG A 69 8.474 5.923 12.872 1.00 1.83 H new ATOM 0 HH22 ARG A 69 10.067 5.159 12.865 1.00 1.83 H new ATOM 1127 N LYS A 70 1.459 2.633 11.897 1.00 0.39 N ATOM 1128 CA LYS A 70 0.197 2.817 12.616 1.00 0.41 C ATOM 1129 C LYS A 70 -0.999 2.322 11.794 1.00 0.35 C ATOM 1130 O LYS A 70 -1.200 2.755 10.656 1.00 0.40 O ATOM 1131 CB LYS A 70 0.010 4.302 12.962 1.00 0.53 C ATOM 1132 CG LYS A 70 -1.427 4.699 13.262 1.00 0.62 C ATOM 1133 CD LYS A 70 -1.550 6.196 13.491 1.00 0.99 C ATOM 1134 CE LYS A 70 -3.002 6.630 13.556 1.00 1.08 C ATOM 1135 NZ LYS A 70 -3.134 8.097 13.743 1.00 1.53 N ATOM 0 H LYS A 70 1.346 2.348 10.924 1.00 0.39 H new ATOM 0 HA LYS A 70 0.242 2.226 13.531 1.00 0.41 H new ATOM 0 HB2 LYS A 70 0.629 4.542 13.827 1.00 0.53 H new ATOM 0 HB3 LYS A 70 0.375 4.905 12.131 1.00 0.53 H new ATOM 0 HG2 LYS A 70 -2.069 4.402 12.433 1.00 0.62 H new ATOM 0 HG3 LYS A 70 -1.778 4.164 14.145 1.00 0.62 H new ATOM 0 HD2 LYS A 70 -1.046 6.466 14.419 1.00 0.99 H new ATOM 0 HD3 LYS A 70 -1.045 6.731 12.687 1.00 0.99 H new ATOM 0 HE2 LYS A 70 -3.511 6.334 12.639 1.00 1.08 H new ATOM 0 HE3 LYS A 70 -3.499 6.113 14.377 1.00 1.08 H new ATOM 0 HZ1 LYS A 70 -4.141 8.353 13.782 1.00 1.53 H new ATOM 0 HZ2 LYS A 70 -2.671 8.377 14.631 1.00 1.53 H new ATOM 0 HZ3 LYS A 70 -2.682 8.590 12.947 1.00 1.53 H new ATOM 1149 N VAL A 71 -1.774 1.403 12.366 1.00 0.35 N ATOM 1150 CA VAL A 71 -3.059 1.005 11.794 1.00 0.36 C ATOM 1151 C VAL A 71 -4.181 1.598 12.637 1.00 0.37 C ATOM 1152 O VAL A 71 -4.342 1.229 13.801 1.00 0.47 O ATOM 1153 CB VAL A 71 -3.249 -0.533 11.749 1.00 0.44 C ATOM 1154 CG1 VAL A 71 -4.632 -0.889 11.219 1.00 0.88 C ATOM 1155 CG2 VAL A 71 -2.180 -1.198 10.900 1.00 0.77 C ATOM 0 H VAL A 71 -1.533 0.917 13.230 1.00 0.35 H new ATOM 0 HA VAL A 71 -3.081 1.375 10.769 1.00 0.36 H new ATOM 0 HB VAL A 71 -3.154 -0.905 12.769 1.00 0.44 H new ATOM 0 HG11 VAL A 71 -4.745 -1.973 11.195 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -5.393 -0.459 11.870 1.00 0.88 H new ATOM 0 HG13 VAL A 71 -4.749 -0.490 10.211 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -2.342 -2.276 10.889 1.00 0.77 H new ATOM 0 HG22 VAL A 71 -2.233 -0.813 9.882 1.00 0.77 H new ATOM 0 HG23 VAL A 71 -1.197 -0.983 11.319 1.00 0.77 H new ATOM 1165 N ASP A 72 -4.943 2.519 12.072 1.00 0.33 N ATOM 1166 CA ASP A 72 -6.029 3.145 12.812 1.00 0.36 C ATOM 1167 C ASP A 72 -7.358 2.836 12.149 1.00 0.35 C ATOM 1168 O ASP A 72 -7.943 3.708 11.503 1.00 0.40 O ATOM 1169 CB ASP A 72 -5.846 4.661 12.903 1.00 0.41 C ATOM 1170 CG ASP A 72 -6.432 5.236 14.184 1.00 0.84 C ATOM 1171 OD1 ASP A 72 -7.674 5.248 14.324 1.00 1.24 O ATOM 1172 OD2 ASP A 72 -5.660 5.689 15.054 1.00 1.42 O ATOM 0 H ASP A 72 -4.833 2.848 11.113 1.00 0.33 H new ATOM 0 HA ASP A 72 -6.017 2.737 13.823 1.00 0.36 H new ATOM 0 HB2 ASP A 72 -4.784 4.900 12.852 1.00 0.41 H new ATOM 0 HB3 ASP A 72 -6.321 5.135 12.044 1.00 0.41 H new ATOM 1177 N GLU A 73 -7.788 1.571 12.287 1.00 0.38 N ATOM 1178 CA GLU A 73 -9.065 1.067 11.753 1.00 0.39 C ATOM 1179 C GLU A 73 -9.306 1.533 10.302 1.00 0.38 C ATOM 1180 O GLU A 73 -8.367 1.968 9.629 1.00 0.56 O ATOM 1181 CB GLU A 73 -10.217 1.467 12.695 1.00 0.46 C ATOM 1182 CG GLU A 73 -10.548 2.951 12.723 1.00 0.52 C ATOM 1183 CD GLU A 73 -11.726 3.253 13.619 1.00 0.74 C ATOM 1184 OE1 GLU A 73 -11.507 3.634 14.788 1.00 0.96 O ATOM 1185 OE2 GLU A 73 -12.877 3.094 13.164 1.00 0.92 O ATOM 0 H GLU A 73 -7.250 0.858 12.780 1.00 0.38 H new ATOM 0 HA GLU A 73 -9.021 -0.021 11.713 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -11.112 0.918 12.402 1.00 0.46 H new ATOM 0 HB3 GLU A 73 -9.965 1.149 13.706 1.00 0.46 H new ATOM 0 HG2 GLU A 73 -9.678 3.510 13.068 1.00 0.52 H new ATOM 0 HG3 GLU A 73 -10.766 3.293 11.711 1.00 0.52 H new ATOM 1192 N PRO A 74 -10.529 1.366 9.741 1.00 0.33 N ATOM 1193 CA PRO A 74 -10.890 2.039 8.493 1.00 0.32 C ATOM 1194 C PRO A 74 -10.889 3.556 8.657 1.00 0.31 C ATOM 1195 O PRO A 74 -11.940 4.173 8.812 1.00 0.35 O ATOM 1196 CB PRO A 74 -12.305 1.530 8.185 1.00 0.35 C ATOM 1197 CG PRO A 74 -12.448 0.277 8.976 1.00 0.36 C ATOM 1198 CD PRO A 74 -11.606 0.467 10.205 1.00 0.38 C ATOM 0 HA PRO A 74 -10.180 1.826 7.694 1.00 0.32 H new ATOM 0 HB2 PRO A 74 -13.059 2.264 8.470 1.00 0.35 H new ATOM 0 HB3 PRO A 74 -12.432 1.340 7.119 1.00 0.35 H new ATOM 0 HG2 PRO A 74 -13.490 0.099 9.240 1.00 0.36 H new ATOM 0 HG3 PRO A 74 -12.113 -0.587 8.403 1.00 0.36 H new ATOM 0 HD2 PRO A 74 -12.178 0.911 11.020 1.00 0.38 H new ATOM 0 HD3 PRO A 74 -11.210 -0.480 10.572 1.00 0.38 H new ATOM 1206 N ASP A 75 -9.697 4.137 8.673 1.00 0.30 N ATOM 1207 CA ASP A 75 -9.528 5.582 8.794 1.00 0.31 C ATOM 1208 C ASP A 75 -8.147 5.995 8.303 1.00 0.30 C ATOM 1209 O ASP A 75 -8.027 6.708 7.308 1.00 0.33 O ATOM 1210 CB ASP A 75 -9.729 6.044 10.246 1.00 0.34 C ATOM 1211 CG ASP A 75 -9.416 7.521 10.454 1.00 0.37 C ATOM 1212 OD1 ASP A 75 -8.291 7.835 10.901 1.00 0.40 O ATOM 1213 OD2 ASP A 75 -10.292 8.374 10.191 1.00 0.50 O ATOM 0 H ASP A 75 -8.819 3.622 8.603 1.00 0.30 H new ATOM 0 HA ASP A 75 -10.286 6.062 8.175 1.00 0.31 H new ATOM 0 HB2 ASP A 75 -10.760 5.852 10.542 1.00 0.34 H new ATOM 0 HB3 ASP A 75 -9.093 5.449 10.901 1.00 0.34 H new ATOM 1218 N THR A 76 -7.104 5.530 8.986 1.00 0.28 N ATOM 1219 CA THR A 76 -5.743 5.902 8.622 1.00 0.29 C ATOM 1220 C THR A 76 -4.751 4.761 8.829 1.00 0.29 C ATOM 1221 O THR A 76 -4.831 4.019 9.806 1.00 0.35 O ATOM 1222 CB THR A 76 -5.274 7.136 9.420 1.00 0.32 C ATOM 1223 OG1 THR A 76 -5.796 7.097 10.754 1.00 0.34 O ATOM 1224 CG2 THR A 76 -5.711 8.418 8.726 1.00 0.35 C ATOM 0 H THR A 76 -7.175 4.901 9.786 1.00 0.28 H new ATOM 0 HA THR A 76 -5.767 6.141 7.559 1.00 0.29 H new ATOM 0 HB THR A 76 -4.185 7.119 9.468 1.00 0.32 H new ATOM 0 HG1 THR A 76 -6.583 7.678 10.815 1.00 0.34 H new ATOM 0 HG21 THR A 76 -5.371 9.278 9.303 1.00 0.35 H new ATOM 0 HG22 THR A 76 -5.277 8.457 7.727 1.00 0.35 H new ATOM 0 HG23 THR A 76 -6.798 8.438 8.650 1.00 0.35 H new ATOM 1232 N LEU A 77 -3.826 4.619 7.887 1.00 0.29 N ATOM 1233 CA LEU A 77 -2.749 3.642 8.001 1.00 0.31 C ATOM 1234 C LEU A 77 -1.459 4.257 7.490 1.00 0.33 C ATOM 1235 O LEU A 77 -1.317 4.494 6.298 1.00 0.41 O ATOM 1236 CB LEU A 77 -3.024 2.368 7.183 1.00 0.33 C ATOM 1237 CG LEU A 77 -4.438 1.795 7.253 1.00 0.32 C ATOM 1238 CD1 LEU A 77 -5.339 2.485 6.242 1.00 0.74 C ATOM 1239 CD2 LEU A 77 -4.410 0.295 7.014 1.00 0.69 C ATOM 0 H LEU A 77 -3.800 5.172 7.030 1.00 0.29 H new ATOM 0 HA LEU A 77 -2.674 3.367 9.053 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -2.795 2.579 6.139 1.00 0.33 H new ATOM 0 HB3 LEU A 77 -2.328 1.596 7.512 1.00 0.33 H new ATOM 0 HG LEU A 77 -4.841 1.977 8.249 1.00 0.32 H new ATOM 0 HD11 LEU A 77 -6.343 2.066 6.304 1.00 0.74 H new ATOM 0 HD12 LEU A 77 -5.377 3.553 6.458 1.00 0.74 H new ATOM 0 HD13 LEU A 77 -4.943 2.332 5.238 1.00 0.74 H new ATOM 0 HD21 LEU A 77 -5.424 -0.101 7.067 1.00 0.69 H new ATOM 0 HD22 LEU A 77 -3.992 0.091 6.028 1.00 0.69 H new ATOM 0 HD23 LEU A 77 -3.794 -0.183 7.775 1.00 0.69 H new ATOM 1251 N VAL A 78 -0.527 4.535 8.373 1.00 0.32 N ATOM 1252 CA VAL A 78 0.769 5.027 7.943 1.00 0.36 C ATOM 1253 C VAL A 78 1.781 3.893 7.981 1.00 0.34 C ATOM 1254 O VAL A 78 2.071 3.335 9.036 1.00 0.36 O ATOM 1255 CB VAL A 78 1.254 6.246 8.769 1.00 0.43 C ATOM 1256 CG1 VAL A 78 0.935 6.075 10.239 1.00 0.52 C ATOM 1257 CG2 VAL A 78 2.746 6.484 8.568 1.00 0.67 C ATOM 0 H VAL A 78 -0.636 4.432 9.382 1.00 0.32 H new ATOM 0 HA VAL A 78 0.666 5.385 6.919 1.00 0.36 H new ATOM 0 HB VAL A 78 0.717 7.123 8.408 1.00 0.43 H new ATOM 0 HG11 VAL A 78 1.288 6.946 10.792 1.00 0.52 H new ATOM 0 HG12 VAL A 78 -0.143 5.975 10.368 1.00 0.52 H new ATOM 0 HG13 VAL A 78 1.430 5.181 10.617 1.00 0.52 H new ATOM 0 HG21 VAL A 78 3.060 7.345 9.159 1.00 0.67 H new ATOM 0 HG22 VAL A 78 3.301 5.602 8.888 1.00 0.67 H new ATOM 0 HG23 VAL A 78 2.945 6.675 7.514 1.00 0.67 H new ATOM 1267 N ILE A 79 2.252 3.511 6.809 1.00 0.35 N ATOM 1268 CA ILE A 79 3.191 2.412 6.677 1.00 0.39 C ATOM 1269 C ILE A 79 4.399 2.830 5.836 1.00 0.40 C ATOM 1270 O ILE A 79 4.272 3.600 4.886 1.00 0.43 O ATOM 1271 CB ILE A 79 2.474 1.140 6.128 1.00 0.48 C ATOM 1272 CG1 ILE A 79 3.455 0.121 5.519 1.00 0.75 C ATOM 1273 CG2 ILE A 79 1.379 1.516 5.137 1.00 0.52 C ATOM 1274 CD1 ILE A 79 3.543 0.147 4.007 1.00 0.67 C ATOM 0 H ILE A 79 1.996 3.951 5.925 1.00 0.35 H new ATOM 0 HA ILE A 79 3.576 2.151 7.663 1.00 0.39 H new ATOM 0 HB ILE A 79 2.009 0.647 6.982 1.00 0.48 H new ATOM 0 HG12 ILE A 79 4.448 0.304 5.930 1.00 0.75 H new ATOM 0 HG13 ILE A 79 3.159 -0.880 5.834 1.00 0.75 H new ATOM 0 HG21 ILE A 79 0.895 0.611 4.769 1.00 0.52 H new ATOM 0 HG22 ILE A 79 0.641 2.147 5.632 1.00 0.52 H new ATOM 0 HG23 ILE A 79 1.817 2.059 4.300 1.00 0.52 H new ATOM 0 HD11 ILE A 79 4.258 -0.604 3.671 1.00 0.67 H new ATOM 0 HD12 ILE A 79 2.563 -0.069 3.582 1.00 0.67 H new ATOM 0 HD13 ILE A 79 3.872 1.133 3.679 1.00 0.67 H new ATOM 1286 N GLY A 80 5.576 2.363 6.237 1.00 0.42 N ATOM 1287 CA GLY A 80 6.805 2.722 5.562 1.00 0.46 C ATOM 1288 C GLY A 80 7.152 1.778 4.431 1.00 0.46 C ATOM 1289 O GLY A 80 6.523 0.735 4.270 1.00 0.50 O ATOM 0 H GLY A 80 5.699 1.733 7.030 1.00 0.42 H new ATOM 0 HA2 GLY A 80 6.716 3.735 5.169 1.00 0.46 H new ATOM 0 HA3 GLY A 80 7.621 2.731 6.284 1.00 0.46 H new ATOM 1293 N TRP A 81 8.181 2.127 3.675 1.00 0.50 N ATOM 1294 CA TRP A 81 8.526 1.401 2.458 1.00 0.51 C ATOM 1295 C TRP A 81 9.508 0.266 2.748 1.00 0.53 C ATOM 1296 O TRP A 81 10.240 0.310 3.737 1.00 0.81 O ATOM 1297 CB TRP A 81 9.112 2.377 1.437 1.00 0.74 C ATOM 1298 CG TRP A 81 9.527 1.726 0.167 1.00 0.80 C ATOM 1299 CD1 TRP A 81 10.794 1.593 -0.296 1.00 0.74 C ATOM 1300 CD2 TRP A 81 8.674 1.103 -0.787 1.00 1.40 C ATOM 1301 NE1 TRP A 81 10.796 0.909 -1.480 1.00 0.88 N ATOM 1302 CE2 TRP A 81 9.496 0.603 -1.812 1.00 1.44 C ATOM 1303 CE3 TRP A 81 7.292 0.918 -0.870 1.00 2.08 C ATOM 1304 CZ2 TRP A 81 8.975 -0.071 -2.912 1.00 2.12 C ATOM 1305 CZ3 TRP A 81 6.778 0.252 -1.961 1.00 2.78 C ATOM 1306 CH2 TRP A 81 7.617 -0.236 -2.968 1.00 2.79 C ATOM 0 H TRP A 81 8.797 2.913 3.883 1.00 0.50 H new ATOM 0 HA TRP A 81 7.622 0.950 2.049 1.00 0.51 H new ATOM 0 HB2 TRP A 81 8.373 3.148 1.217 1.00 0.74 H new ATOM 0 HB3 TRP A 81 9.974 2.878 1.878 1.00 0.74 H new ATOM 0 HD1 TRP A 81 11.675 1.973 0.199 1.00 0.74 H new ATOM 0 HE1 TRP A 81 11.623 0.666 -2.026 1.00 0.88 H new ATOM 0 HE3 TRP A 81 6.639 1.290 -0.094 1.00 2.08 H new ATOM 0 HZ2 TRP A 81 9.618 -0.450 -3.693 1.00 2.12 H new ATOM 0 HZ3 TRP A 81 5.711 0.105 -2.040 1.00 2.78 H new ATOM 0 HH2 TRP A 81 7.183 -0.755 -3.810 1.00 2.79 H new ATOM 1317 N ARG A 82 9.518 -0.736 1.864 1.00 0.54 N ATOM 1318 CA ARG A 82 10.312 -1.941 2.050 1.00 0.74 C ATOM 1319 C ARG A 82 10.072 -2.929 0.892 1.00 0.81 C ATOM 1320 O ARG A 82 9.934 -4.124 1.125 1.00 1.47 O ATOM 1321 CB ARG A 82 9.960 -2.604 3.393 1.00 1.06 C ATOM 1322 CG ARG A 82 10.901 -3.726 3.810 1.00 1.64 C ATOM 1323 CD ARG A 82 12.329 -3.237 3.996 1.00 2.68 C ATOM 1324 NE ARG A 82 13.242 -4.349 4.265 1.00 3.63 N ATOM 1325 CZ ARG A 82 14.455 -4.468 3.723 1.00 4.53 C ATOM 1326 NH1 ARG A 82 14.957 -3.485 2.985 1.00 4.80 N ATOM 1327 NH2 ARG A 82 15.172 -5.566 3.937 1.00 5.46 N ATOM 0 H ARG A 82 8.974 -0.729 1.001 1.00 0.54 H new ATOM 0 HA ARG A 82 11.366 -1.665 2.057 1.00 0.74 H new ATOM 0 HB2 ARG A 82 9.958 -1.841 4.171 1.00 1.06 H new ATOM 0 HB3 ARG A 82 8.946 -3.001 3.333 1.00 1.06 H new ATOM 0 HG2 ARG A 82 10.546 -4.169 4.741 1.00 1.64 H new ATOM 0 HG3 ARG A 82 10.883 -4.512 3.056 1.00 1.64 H new ATOM 0 HD2 ARG A 82 12.653 -2.706 3.101 1.00 2.68 H new ATOM 0 HD3 ARG A 82 12.367 -2.525 4.820 1.00 2.68 H new ATOM 0 HE ARG A 82 12.931 -5.078 4.907 1.00 3.63 H new ATOM 0 HH11 ARG A 82 14.415 -2.635 2.831 1.00 4.80 H new ATOM 0 HH12 ARG A 82 15.885 -3.580 2.572 1.00 4.80 H new ATOM 0 HH21 ARG A 82 14.795 -6.317 4.515 1.00 5.46 H new ATOM 0 HH22 ARG A 82 16.100 -5.658 3.523 1.00 5.46 H new ATOM 1341 N LEU A 83 10.016 -2.408 -0.351 1.00 0.79 N ATOM 1342 CA LEU A 83 10.009 -3.243 -1.573 1.00 0.86 C ATOM 1343 C LEU A 83 8.583 -3.730 -1.906 1.00 0.81 C ATOM 1344 O LEU A 83 7.859 -4.188 -1.041 1.00 1.21 O ATOM 1345 CB LEU A 83 11.009 -4.412 -1.366 1.00 1.23 C ATOM 1346 CG LEU A 83 11.508 -5.232 -2.577 1.00 1.13 C ATOM 1347 CD1 LEU A 83 10.420 -5.532 -3.562 1.00 1.55 C ATOM 1348 CD2 LEU A 83 12.665 -4.558 -3.276 1.00 1.28 C ATOM 0 H LEU A 83 9.975 -1.406 -0.537 1.00 0.79 H new ATOM 0 HA LEU A 83 10.328 -2.658 -2.435 1.00 0.86 H new ATOM 0 HB2 LEU A 83 11.888 -4.001 -0.870 1.00 1.23 H new ATOM 0 HB3 LEU A 83 10.548 -5.112 -0.670 1.00 1.23 H new ATOM 0 HG LEU A 83 11.854 -6.180 -2.166 1.00 1.13 H new ATOM 0 HD11 LEU A 83 10.829 -6.110 -4.391 1.00 1.55 H new ATOM 0 HD12 LEU A 83 9.634 -6.107 -3.072 1.00 1.55 H new ATOM 0 HD13 LEU A 83 10.004 -4.598 -3.941 1.00 1.55 H new ATOM 0 HD21 LEU A 83 12.985 -5.168 -4.121 1.00 1.28 H new ATOM 0 HD22 LEU A 83 12.352 -3.577 -3.634 1.00 1.28 H new ATOM 0 HD23 LEU A 83 13.494 -4.442 -2.578 1.00 1.28 H new ATOM 1360 N ASN A 84 8.189 -3.605 -3.179 1.00 0.76 N ATOM 1361 CA ASN A 84 6.890 -4.092 -3.642 1.00 1.00 C ATOM 1362 C ASN A 84 7.041 -5.503 -4.194 1.00 1.25 C ATOM 1363 O ASN A 84 7.095 -5.706 -5.413 1.00 1.93 O ATOM 1364 CB ASN A 84 6.305 -3.176 -4.731 1.00 1.26 C ATOM 1365 CG ASN A 84 4.990 -3.698 -5.310 1.00 1.08 C ATOM 1366 OD1 ASN A 84 4.186 -4.313 -4.621 1.00 1.81 O ATOM 1367 ND2 ASN A 84 4.773 -3.469 -6.596 1.00 0.94 N ATOM 0 H ASN A 84 8.755 -3.169 -3.907 1.00 0.76 H new ATOM 0 HA ASN A 84 6.206 -4.094 -2.793 1.00 1.00 H new ATOM 0 HB2 ASN A 84 6.142 -2.183 -4.313 1.00 1.26 H new ATOM 0 HB3 ASN A 84 7.032 -3.068 -5.536 1.00 1.26 H new ATOM 0 HD21 ASN A 84 3.918 -3.808 -7.037 1.00 0.94 H new ATOM 0 HD22 ASN A 84 5.461 -2.954 -7.145 1.00 0.94 H new ATOM 1374 N GLY A 85 7.182 -6.466 -3.296 1.00 1.69 N ATOM 1375 CA GLY A 85 7.263 -7.849 -3.707 1.00 2.21 C ATOM 1376 C GLY A 85 8.630 -8.246 -4.244 1.00 1.96 C ATOM 1377 O GLY A 85 9.315 -9.086 -3.655 1.00 2.40 O ATOM 0 H GLY A 85 7.242 -6.313 -2.289 1.00 1.69 H new ATOM 0 HA2 GLY A 85 7.016 -8.487 -2.858 1.00 2.21 H new ATOM 0 HA3 GLY A 85 6.512 -8.036 -4.475 1.00 2.21 H new ATOM 1381 N PHE A 86 9.039 -7.618 -5.346 1.00 1.79 N ATOM 1382 CA PHE A 86 10.255 -8.006 -6.052 1.00 2.29 C ATOM 1383 C PHE A 86 10.639 -6.956 -7.098 1.00 2.14 C ATOM 1384 O PHE A 86 9.773 -6.421 -7.794 1.00 2.77 O ATOM 1385 CB PHE A 86 10.028 -9.366 -6.728 1.00 3.16 C ATOM 1386 CG PHE A 86 11.172 -9.845 -7.575 1.00 3.79 C ATOM 1387 CD1 PHE A 86 12.265 -10.472 -6.995 1.00 4.45 C ATOM 1388 CD2 PHE A 86 11.161 -9.659 -8.945 1.00 4.03 C ATOM 1389 CE1 PHE A 86 13.324 -10.906 -7.767 1.00 5.26 C ATOM 1390 CE2 PHE A 86 12.217 -10.091 -9.723 1.00 4.80 C ATOM 1391 CZ PHE A 86 13.278 -10.745 -9.145 1.00 5.38 C ATOM 0 H PHE A 86 8.541 -6.835 -5.769 1.00 1.79 H new ATOM 0 HA PHE A 86 11.073 -8.080 -5.336 1.00 2.29 H new ATOM 0 HB2 PHE A 86 9.828 -10.110 -5.957 1.00 3.16 H new ATOM 0 HB3 PHE A 86 9.135 -9.303 -7.350 1.00 3.16 H new ATOM 0 HD1 PHE A 86 12.288 -10.623 -5.926 1.00 4.45 H new ATOM 0 HD2 PHE A 86 10.318 -9.171 -9.411 1.00 4.03 H new ATOM 0 HE1 PHE A 86 14.182 -11.368 -7.302 1.00 5.26 H new ATOM 0 HE2 PHE A 86 12.209 -9.914 -10.788 1.00 4.80 H new ATOM 0 HZ PHE A 86 14.075 -11.133 -9.762 1.00 5.38 H new ATOM 1401 N GLY A 87 11.931 -6.649 -7.190 1.00 1.90 N ATOM 1402 CA GLY A 87 12.424 -5.823 -8.283 1.00 2.08 C ATOM 1403 C GLY A 87 12.637 -4.363 -7.915 1.00 1.87 C ATOM 1404 O GLY A 87 12.369 -3.472 -8.722 1.00 2.30 O ATOM 0 H GLY A 87 12.645 -6.956 -6.529 1.00 1.90 H new ATOM 0 HA2 GLY A 87 13.367 -6.237 -8.640 1.00 2.08 H new ATOM 0 HA3 GLY A 87 11.718 -5.878 -9.112 1.00 2.08 H new ATOM 1408 N ARG A 88 13.120 -4.103 -6.709 1.00 1.33 N ATOM 1409 CA ARG A 88 13.404 -2.734 -6.290 1.00 1.18 C ATOM 1410 C ARG A 88 14.589 -2.691 -5.317 1.00 1.09 C ATOM 1411 O ARG A 88 14.994 -3.712 -4.782 1.00 1.21 O ATOM 1412 CB ARG A 88 12.143 -2.091 -5.685 1.00 0.98 C ATOM 1413 CG ARG A 88 12.378 -0.716 -5.075 1.00 1.64 C ATOM 1414 CD ARG A 88 12.251 -0.731 -3.555 1.00 2.32 C ATOM 1415 NE ARG A 88 13.132 -1.701 -2.899 1.00 3.00 N ATOM 1416 CZ ARG A 88 13.185 -1.925 -1.575 1.00 3.96 C ATOM 1417 NH1 ARG A 88 12.443 -1.227 -0.728 1.00 4.44 N ATOM 1418 NH2 ARG A 88 14.006 -2.849 -1.095 1.00 4.77 N ATOM 0 H ARG A 88 13.323 -4.814 -6.007 1.00 1.33 H new ATOM 0 HA ARG A 88 13.689 -2.152 -7.166 1.00 1.18 H new ATOM 0 HB2 ARG A 88 11.383 -2.007 -6.462 1.00 0.98 H new ATOM 0 HB3 ARG A 88 11.743 -2.754 -4.918 1.00 0.98 H new ATOM 0 HG2 ARG A 88 13.371 -0.363 -5.351 1.00 1.64 H new ATOM 0 HG3 ARG A 88 11.661 -0.008 -5.491 1.00 1.64 H new ATOM 0 HD2 ARG A 88 12.472 0.265 -3.171 1.00 2.32 H new ATOM 0 HD3 ARG A 88 11.218 -0.953 -3.288 1.00 2.32 H new ATOM 0 HE ARG A 88 13.754 -2.249 -3.494 1.00 3.00 H new ATOM 0 HH11 ARG A 88 11.815 -0.503 -1.077 1.00 4.44 H new ATOM 0 HH12 ARG A 88 12.499 -1.414 0.273 1.00 4.44 H new ATOM 0 HH21 ARG A 88 14.595 -3.387 -1.730 1.00 4.77 H new ATOM 0 HH22 ARG A 88 14.048 -3.021 -0.091 1.00 4.77 H new ATOM 1432 N ILE A 89 15.162 -1.511 -5.129 1.00 1.08 N ATOM 1433 CA ILE A 89 16.255 -1.311 -4.176 1.00 1.08 C ATOM 1434 C ILE A 89 15.897 -0.245 -3.130 1.00 1.04 C ATOM 1435 O ILE A 89 15.694 0.908 -3.470 1.00 1.15 O ATOM 1436 CB ILE A 89 17.578 -0.956 -4.900 1.00 1.29 C ATOM 1437 CG1 ILE A 89 18.573 -0.273 -3.954 1.00 1.86 C ATOM 1438 CG2 ILE A 89 17.295 -0.081 -6.104 1.00 1.11 C ATOM 1439 CD1 ILE A 89 18.799 -1.026 -2.666 1.00 1.70 C ATOM 0 H ILE A 89 14.887 -0.665 -5.629 1.00 1.08 H new ATOM 0 HA ILE A 89 16.406 -2.255 -3.652 1.00 1.08 H new ATOM 0 HB ILE A 89 18.037 -1.885 -5.239 1.00 1.29 H new ATOM 0 HG12 ILE A 89 19.527 -0.155 -4.468 1.00 1.86 H new ATOM 0 HG13 ILE A 89 18.211 0.728 -3.721 1.00 1.86 H new ATOM 0 HG21 ILE A 89 18.232 0.162 -6.605 1.00 1.11 H new ATOM 0 HG22 ILE A 89 16.641 -0.613 -6.795 1.00 1.11 H new ATOM 0 HG23 ILE A 89 16.808 0.838 -5.779 1.00 1.11 H new ATOM 0 HD11 ILE A 89 19.514 -0.483 -2.048 1.00 1.70 H new ATOM 0 HD12 ILE A 89 17.855 -1.121 -2.130 1.00 1.70 H new ATOM 0 HD13 ILE A 89 19.192 -2.018 -2.889 1.00 1.70 H new ATOM 1451 N ASP A 90 15.780 -0.642 -1.871 1.00 1.05 N ATOM 1452 CA ASP A 90 15.611 0.290 -0.772 1.00 1.15 C ATOM 1453 C ASP A 90 15.751 -0.454 0.556 1.00 1.01 C ATOM 1454 O ASP A 90 14.888 -1.254 0.928 1.00 1.14 O ATOM 1455 CB ASP A 90 14.273 1.019 -0.861 1.00 1.54 C ATOM 1456 CG ASP A 90 13.958 1.783 0.394 1.00 2.36 C ATOM 1457 OD1 ASP A 90 13.302 1.216 1.291 1.00 2.64 O ATOM 1458 OD2 ASP A 90 14.370 2.955 0.474 1.00 3.18 O ATOM 0 H ASP A 90 15.800 -1.621 -1.585 1.00 1.05 H new ATOM 0 HA ASP A 90 16.390 1.049 -0.834 1.00 1.15 H new ATOM 0 HB2 ASP A 90 14.291 1.706 -1.707 1.00 1.54 H new ATOM 0 HB3 ASP A 90 13.480 0.297 -1.053 1.00 1.54 H new ATOM 1463 N PRO A 91 16.851 -0.233 1.275 1.00 1.32 N ATOM 1464 CA PRO A 91 17.100 -0.880 2.562 1.00 1.52 C ATOM 1465 C PRO A 91 16.500 -0.090 3.704 1.00 1.24 C ATOM 1466 O PRO A 91 17.018 -0.114 4.826 1.00 1.58 O ATOM 1467 CB PRO A 91 18.611 -0.813 2.668 1.00 2.16 C ATOM 1468 CG PRO A 91 18.942 0.493 2.034 1.00 2.36 C ATOM 1469 CD PRO A 91 17.949 0.676 0.909 1.00 1.92 C ATOM 0 HA PRO A 91 16.674 -1.882 2.617 1.00 1.52 H new ATOM 0 HB2 PRO A 91 18.943 -0.852 3.705 1.00 2.16 H new ATOM 0 HB3 PRO A 91 19.088 -1.644 2.149 1.00 2.16 H new ATOM 0 HG2 PRO A 91 18.868 1.307 2.756 1.00 2.36 H new ATOM 0 HG3 PRO A 91 19.964 0.495 1.656 1.00 2.36 H new ATOM 0 HD2 PRO A 91 17.609 1.709 0.837 1.00 1.92 H new ATOM 0 HD3 PRO A 91 18.382 0.415 -0.056 1.00 1.92 H new ATOM 1477 N ASP A 92 15.414 0.601 3.434 1.00 1.06 N ATOM 1478 CA ASP A 92 14.955 1.610 4.344 1.00 1.34 C ATOM 1479 C ASP A 92 14.109 1.005 5.429 1.00 1.18 C ATOM 1480 O ASP A 92 13.747 -0.175 5.389 1.00 1.61 O ATOM 1481 CB ASP A 92 14.181 2.690 3.612 1.00 1.93 C ATOM 1482 CG ASP A 92 14.225 4.009 4.355 1.00 2.60 C ATOM 1483 OD1 ASP A 92 13.202 4.387 4.968 1.00 2.98 O ATOM 1484 OD2 ASP A 92 15.297 4.651 4.363 1.00 2.99 O ATOM 0 H ASP A 92 14.842 0.480 2.598 1.00 1.06 H new ATOM 0 HA ASP A 92 15.831 2.068 4.804 1.00 1.34 H new ATOM 0 HB2 ASP A 92 14.595 2.821 2.612 1.00 1.93 H new ATOM 0 HB3 ASP A 92 13.145 2.376 3.489 1.00 1.93 H new ATOM 1489 N ASN A 93 13.814 1.823 6.399 1.00 1.06 N ATOM 1490 CA ASN A 93 13.123 1.387 7.580 1.00 1.26 C ATOM 1491 C ASN A 93 12.296 2.532 8.149 1.00 1.04 C ATOM 1492 O ASN A 93 11.843 2.495 9.291 1.00 1.49 O ATOM 1493 CB ASN A 93 14.146 0.846 8.581 1.00 1.65 C ATOM 1494 CG ASN A 93 15.331 1.779 8.769 1.00 2.22 C ATOM 1495 OD1 ASN A 93 15.311 2.668 9.621 1.00 3.06 O ATOM 1496 ND2 ASN A 93 16.379 1.578 7.972 1.00 2.21 N ATOM 0 H ASN A 93 14.047 2.816 6.393 1.00 1.06 H new ATOM 0 HA ASN A 93 12.427 0.582 7.344 1.00 1.26 H new ATOM 0 HB2 ASN A 93 13.658 0.686 9.543 1.00 1.65 H new ATOM 0 HB3 ASN A 93 14.504 -0.125 8.240 1.00 1.65 H new ATOM 0 HD21 ASN A 93 17.204 2.172 8.055 1.00 2.21 H new ATOM 0 HD22 ASN A 93 16.356 0.830 7.278 1.00 2.21 H new ATOM 1503 N SER A 94 12.099 3.551 7.325 1.00 0.68 N ATOM 1504 CA SER A 94 11.177 4.623 7.632 1.00 0.77 C ATOM 1505 C SER A 94 10.282 4.873 6.425 1.00 0.72 C ATOM 1506 O SER A 94 9.173 4.353 6.371 1.00 1.22 O ATOM 1507 CB SER A 94 11.922 5.905 8.012 1.00 1.19 C ATOM 1508 OG SER A 94 12.893 5.655 9.015 1.00 1.85 O ATOM 0 H SER A 94 12.575 3.653 6.429 1.00 0.68 H new ATOM 0 HA SER A 94 10.570 4.328 8.488 1.00 0.77 H new ATOM 0 HB2 SER A 94 12.406 6.323 7.129 1.00 1.19 H new ATOM 0 HB3 SER A 94 11.211 6.650 8.368 1.00 1.19 H new ATOM 0 HG SER A 94 13.355 6.490 9.238 1.00 1.85 H new ATOM 1514 N SER A 95 10.832 5.586 5.427 1.00 0.60 N ATOM 1515 CA SER A 95 10.098 6.050 4.241 1.00 0.67 C ATOM 1516 C SER A 95 8.769 6.719 4.613 1.00 0.70 C ATOM 1517 O SER A 95 8.654 7.937 4.549 1.00 1.27 O ATOM 1518 CB SER A 95 9.873 4.892 3.287 1.00 0.93 C ATOM 1519 OG SER A 95 11.096 4.253 2.971 1.00 1.44 O ATOM 0 H SER A 95 11.815 5.859 5.423 1.00 0.60 H new ATOM 0 HA SER A 95 10.705 6.807 3.745 1.00 0.67 H new ATOM 0 HB2 SER A 95 9.188 4.173 3.736 1.00 0.93 H new ATOM 0 HB3 SER A 95 9.401 5.254 2.374 1.00 0.93 H new ATOM 0 HG SER A 95 11.731 4.380 3.707 1.00 1.44 H new ATOM 1525 N GLU A 96 7.771 5.899 4.942 1.00 0.48 N ATOM 1526 CA GLU A 96 6.572 6.340 5.649 1.00 0.45 C ATOM 1527 C GLU A 96 5.577 7.066 4.742 1.00 0.45 C ATOM 1528 O GLU A 96 5.849 8.159 4.235 1.00 0.60 O ATOM 1529 CB GLU A 96 6.977 7.226 6.834 1.00 0.56 C ATOM 1530 CG GLU A 96 5.816 7.753 7.652 1.00 1.11 C ATOM 1531 CD GLU A 96 6.252 8.783 8.675 1.00 1.30 C ATOM 1532 OE1 GLU A 96 7.143 9.605 8.358 1.00 1.81 O ATOM 1533 OE2 GLU A 96 5.698 8.791 9.795 1.00 1.33 O ATOM 0 H GLU A 96 7.773 4.903 4.723 1.00 0.48 H new ATOM 0 HA GLU A 96 6.056 5.450 6.010 1.00 0.45 H new ATOM 0 HB2 GLU A 96 7.637 6.656 7.488 1.00 0.56 H new ATOM 0 HB3 GLU A 96 7.553 8.071 6.459 1.00 0.56 H new ATOM 0 HG2 GLU A 96 5.077 8.197 6.985 1.00 1.11 H new ATOM 0 HG3 GLU A 96 5.327 6.923 8.162 1.00 1.11 H new ATOM 1540 N PHE A 97 4.428 6.440 4.525 1.00 0.39 N ATOM 1541 CA PHE A 97 3.308 7.123 3.906 1.00 0.40 C ATOM 1542 C PHE A 97 2.062 6.964 4.761 1.00 0.41 C ATOM 1543 O PHE A 97 1.662 5.853 5.104 1.00 0.53 O ATOM 1544 CB PHE A 97 3.056 6.663 2.458 1.00 0.51 C ATOM 1545 CG PHE A 97 2.777 5.194 2.252 1.00 0.42 C ATOM 1546 CD1 PHE A 97 3.810 4.318 1.961 1.00 0.46 C ATOM 1547 CD2 PHE A 97 1.480 4.698 2.304 1.00 0.50 C ATOM 1548 CE1 PHE A 97 3.561 2.980 1.729 1.00 0.53 C ATOM 1549 CE2 PHE A 97 1.228 3.359 2.078 1.00 0.64 C ATOM 1550 CZ PHE A 97 2.268 2.500 1.788 1.00 0.63 C ATOM 0 H PHE A 97 4.251 5.465 4.768 1.00 0.39 H new ATOM 0 HA PHE A 97 3.564 8.181 3.846 1.00 0.40 H new ATOM 0 HB2 PHE A 97 2.212 7.228 2.064 1.00 0.51 H new ATOM 0 HB3 PHE A 97 3.927 6.931 1.859 1.00 0.51 H new ATOM 0 HD1 PHE A 97 4.824 4.687 1.915 1.00 0.46 H new ATOM 0 HD2 PHE A 97 0.661 5.366 2.523 1.00 0.50 H new ATOM 0 HE1 PHE A 97 4.377 2.310 1.502 1.00 0.53 H new ATOM 0 HE2 PHE A 97 0.216 2.984 2.128 1.00 0.64 H new ATOM 0 HZ PHE A 97 2.071 1.454 1.607 1.00 0.63 H new ATOM 1560 N THR A 98 1.479 8.090 5.126 1.00 0.35 N ATOM 1561 CA THR A 98 0.276 8.107 5.933 1.00 0.36 C ATOM 1562 C THR A 98 -0.952 8.039 5.028 1.00 0.33 C ATOM 1563 O THR A 98 -1.250 8.991 4.300 1.00 0.36 O ATOM 1564 CB THR A 98 0.215 9.384 6.794 1.00 0.38 C ATOM 1565 OG1 THR A 98 1.415 9.505 7.572 1.00 0.43 O ATOM 1566 CG2 THR A 98 -0.993 9.362 7.722 1.00 0.40 C ATOM 0 H THR A 98 1.825 9.015 4.872 1.00 0.35 H new ATOM 0 HA THR A 98 0.291 7.242 6.595 1.00 0.36 H new ATOM 0 HB THR A 98 0.122 10.240 6.125 1.00 0.38 H new ATOM 0 HG1 THR A 98 1.372 10.319 8.116 1.00 0.43 H new ATOM 0 HG21 THR A 98 -1.011 10.275 8.318 1.00 0.40 H new ATOM 0 HG22 THR A 98 -1.906 9.297 7.130 1.00 0.40 H new ATOM 0 HG23 THR A 98 -0.928 8.498 8.384 1.00 0.40 H new ATOM 1574 N VAL A 99 -1.636 6.903 5.049 1.00 0.33 N ATOM 1575 CA VAL A 99 -2.832 6.720 4.246 1.00 0.35 C ATOM 1576 C VAL A 99 -4.030 7.324 4.954 1.00 0.31 C ATOM 1577 O VAL A 99 -4.473 6.813 5.980 1.00 0.32 O ATOM 1578 CB VAL A 99 -3.115 5.226 3.963 1.00 0.45 C ATOM 1579 CG1 VAL A 99 -4.349 5.061 3.091 1.00 0.75 C ATOM 1580 CG2 VAL A 99 -1.913 4.556 3.316 1.00 0.87 C ATOM 0 H VAL A 99 -1.380 6.094 5.615 1.00 0.33 H new ATOM 0 HA VAL A 99 -2.662 7.223 3.294 1.00 0.35 H new ATOM 0 HB VAL A 99 -3.304 4.738 4.919 1.00 0.45 H new ATOM 0 HG11 VAL A 99 -4.526 4.001 2.907 1.00 0.75 H new ATOM 0 HG12 VAL A 99 -5.213 5.490 3.598 1.00 0.75 H new ATOM 0 HG13 VAL A 99 -4.195 5.573 2.141 1.00 0.75 H new ATOM 0 HG21 VAL A 99 -2.139 3.506 3.128 1.00 0.87 H new ATOM 0 HG22 VAL A 99 -1.683 5.052 2.373 1.00 0.87 H new ATOM 0 HG23 VAL A 99 -1.054 4.628 3.983 1.00 0.87 H new ATOM 1590 N THR A 100 -4.538 8.415 4.411 1.00 0.31 N ATOM 1591 CA THR A 100 -5.691 9.075 4.982 1.00 0.30 C ATOM 1592 C THR A 100 -6.940 8.762 4.172 1.00 0.26 C ATOM 1593 O THR A 100 -7.099 9.235 3.050 1.00 0.28 O ATOM 1594 CB THR A 100 -5.481 10.599 5.036 1.00 0.36 C ATOM 1595 OG1 THR A 100 -4.238 10.888 5.689 1.00 0.45 O ATOM 1596 CG2 THR A 100 -6.623 11.280 5.779 1.00 0.36 C ATOM 0 H THR A 100 -4.167 8.862 3.573 1.00 0.31 H new ATOM 0 HA THR A 100 -5.819 8.702 5.998 1.00 0.30 H new ATOM 0 HB THR A 100 -5.460 10.982 4.016 1.00 0.36 H new ATOM 0 HG1 THR A 100 -4.104 11.858 5.722 1.00 0.45 H new ATOM 0 HG21 THR A 100 -6.451 12.356 5.803 1.00 0.36 H new ATOM 0 HG22 THR A 100 -7.563 11.074 5.268 1.00 0.36 H new ATOM 0 HG23 THR A 100 -6.673 10.898 6.798 1.00 0.36 H new ATOM 1604 N PHE A 101 -7.808 7.936 4.730 1.00 0.25 N ATOM 1605 CA PHE A 101 -9.072 7.625 4.089 1.00 0.24 C ATOM 1606 C PHE A 101 -10.146 8.607 4.539 1.00 0.25 C ATOM 1607 O PHE A 101 -10.559 8.596 5.701 1.00 0.31 O ATOM 1608 CB PHE A 101 -9.514 6.197 4.416 1.00 0.26 C ATOM 1609 CG PHE A 101 -8.763 5.121 3.688 1.00 0.25 C ATOM 1610 CD1 PHE A 101 -8.835 5.024 2.310 1.00 0.31 C ATOM 1611 CD2 PHE A 101 -8.005 4.193 4.380 1.00 0.28 C ATOM 1612 CE1 PHE A 101 -8.165 4.025 1.634 1.00 0.34 C ATOM 1613 CE2 PHE A 101 -7.330 3.191 3.707 1.00 0.31 C ATOM 1614 CZ PHE A 101 -7.409 3.109 2.332 1.00 0.29 C ATOM 0 H PHE A 101 -7.660 7.469 5.625 1.00 0.25 H new ATOM 0 HA PHE A 101 -8.933 7.709 3.011 1.00 0.24 H new ATOM 0 HB2 PHE A 101 -9.404 6.035 5.488 1.00 0.26 H new ATOM 0 HB3 PHE A 101 -10.575 6.099 4.186 1.00 0.26 H new ATOM 0 HD1 PHE A 101 -9.424 5.740 1.756 1.00 0.31 H new ATOM 0 HD2 PHE A 101 -7.940 4.252 5.456 1.00 0.28 H new ATOM 0 HE1 PHE A 101 -8.233 3.961 0.558 1.00 0.34 H new ATOM 0 HE2 PHE A 101 -6.741 2.473 4.258 1.00 0.31 H new ATOM 0 HZ PHE A 101 -6.880 2.329 1.805 1.00 0.29 H new ATOM 1624 N VAL A 102 -10.586 9.456 3.628 1.00 0.29 N ATOM 1625 CA VAL A 102 -11.643 10.410 3.921 1.00 0.31 C ATOM 1626 C VAL A 102 -12.993 9.822 3.537 1.00 0.30 C ATOM 1627 O VAL A 102 -13.270 9.597 2.360 1.00 0.34 O ATOM 1628 CB VAL A 102 -11.431 11.742 3.171 1.00 0.36 C ATOM 1629 CG1 VAL A 102 -12.518 12.744 3.528 1.00 0.52 C ATOM 1630 CG2 VAL A 102 -10.053 12.312 3.474 1.00 0.54 C ATOM 0 H VAL A 102 -10.227 9.505 2.675 1.00 0.29 H new ATOM 0 HA VAL A 102 -11.617 10.614 4.991 1.00 0.31 H new ATOM 0 HB VAL A 102 -11.493 11.544 2.101 1.00 0.36 H new ATOM 0 HG11 VAL A 102 -12.347 13.675 2.987 1.00 0.52 H new ATOM 0 HG12 VAL A 102 -13.492 12.338 3.253 1.00 0.52 H new ATOM 0 HG13 VAL A 102 -12.496 12.938 4.600 1.00 0.52 H new ATOM 0 HG21 VAL A 102 -9.921 13.251 2.937 1.00 0.54 H new ATOM 0 HG22 VAL A 102 -9.961 12.491 4.545 1.00 0.54 H new ATOM 0 HG23 VAL A 102 -9.288 11.603 3.158 1.00 0.54 H new ATOM 1640 N ALA A 103 -13.820 9.556 4.532 1.00 0.31 N ATOM 1641 CA ALA A 103 -15.120 8.954 4.295 1.00 0.35 C ATOM 1642 C ALA A 103 -16.098 9.987 3.753 1.00 0.39 C ATOM 1643 O ALA A 103 -16.286 11.049 4.352 1.00 0.44 O ATOM 1644 CB ALA A 103 -15.654 8.331 5.572 1.00 0.44 C ATOM 0 H ALA A 103 -13.615 9.747 5.513 1.00 0.31 H new ATOM 0 HA ALA A 103 -15.006 8.168 3.548 1.00 0.35 H new ATOM 0 HB1 ALA A 103 -16.629 7.884 5.379 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.964 7.561 5.918 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -15.753 9.100 6.338 1.00 0.44 H new ATOM 1650 N ASP A 104 -16.725 9.671 2.629 1.00 0.48 N ATOM 1651 CA ASP A 104 -17.626 10.596 1.960 1.00 0.57 C ATOM 1652 C ASP A 104 -19.029 10.009 1.879 1.00 0.64 C ATOM 1653 O ASP A 104 -19.248 8.988 1.214 1.00 0.73 O ATOM 1654 CB ASP A 104 -17.145 10.899 0.538 1.00 0.58 C ATOM 1655 CG ASP A 104 -15.744 11.475 0.462 1.00 1.21 C ATOM 1656 OD1 ASP A 104 -15.507 12.564 1.027 1.00 1.34 O ATOM 1657 OD2 ASP A 104 -14.891 10.867 -0.221 1.00 2.03 O ATOM 0 H ASP A 104 -16.624 8.772 2.158 1.00 0.48 H new ATOM 0 HA ASP A 104 -17.640 11.517 2.543 1.00 0.57 H new ATOM 0 HB2 ASP A 104 -17.180 9.981 -0.048 1.00 0.58 H new ATOM 0 HB3 ASP A 104 -17.839 11.600 0.074 1.00 0.58 H new ATOM 1662 N GLY A 105 -19.971 10.642 2.563 1.00 0.71 N ATOM 1663 CA GLY A 105 -21.356 10.238 2.473 1.00 0.83 C ATOM 1664 C GLY A 105 -21.633 8.940 3.195 1.00 1.06 C ATOM 1665 O GLY A 105 -21.733 8.911 4.424 1.00 1.97 O ATOM 0 H GLY A 105 -19.797 11.434 3.182 1.00 0.71 H new ATOM 0 HA2 GLY A 105 -21.987 11.023 2.890 1.00 0.83 H new ATOM 0 HA3 GLY A 105 -21.632 10.131 1.424 1.00 0.83 H new ATOM 1669 N GLN A 106 -21.758 7.869 2.430 1.00 1.24 N ATOM 1670 CA GLN A 106 -22.033 6.557 2.993 1.00 2.07 C ATOM 1671 C GLN A 106 -21.326 5.472 2.188 1.00 1.73 C ATOM 1672 O GLN A 106 -21.062 4.382 2.695 1.00 2.51 O ATOM 1673 CB GLN A 106 -23.539 6.294 3.006 1.00 2.98 C ATOM 1674 CG GLN A 106 -23.924 5.001 3.712 1.00 3.83 C ATOM 1675 CD GLN A 106 -25.365 4.596 3.470 1.00 4.45 C ATOM 1676 OE1 GLN A 106 -25.998 3.970 4.323 1.00 4.84 O ATOM 1677 NE2 GLN A 106 -25.894 4.942 2.304 1.00 4.93 N ATOM 0 H GLN A 106 -21.673 7.882 1.414 1.00 1.24 H new ATOM 0 HA GLN A 106 -21.658 6.536 4.016 1.00 2.07 H new ATOM 0 HB2 GLN A 106 -24.041 7.129 3.495 1.00 2.98 H new ATOM 0 HB3 GLN A 106 -23.903 6.260 1.979 1.00 2.98 H new ATOM 0 HG2 GLN A 106 -23.266 4.200 3.374 1.00 3.83 H new ATOM 0 HG3 GLN A 106 -23.761 5.117 4.783 1.00 3.83 H new ATOM 0 HE21 GLN A 106 -25.337 5.460 1.625 1.00 4.93 H new ATOM 0 HE22 GLN A 106 -26.858 4.690 2.087 1.00 4.93 H new ATOM 1686 N LYS A 107 -21.020 5.773 0.931 1.00 0.73 N ATOM 1687 CA LYS A 107 -20.395 4.792 0.058 1.00 0.48 C ATOM 1688 C LYS A 107 -19.369 5.437 -0.869 1.00 0.38 C ATOM 1689 O LYS A 107 -19.182 5.007 -2.002 1.00 0.47 O ATOM 1690 CB LYS A 107 -21.462 4.047 -0.748 1.00 0.72 C ATOM 1691 CG LYS A 107 -22.345 4.941 -1.604 1.00 1.55 C ATOM 1692 CD LYS A 107 -23.393 4.127 -2.346 1.00 2.23 C ATOM 1693 CE LYS A 107 -24.210 4.991 -3.294 1.00 2.95 C ATOM 1694 NZ LYS A 107 -23.366 5.625 -4.343 1.00 3.53 N ATOM 0 H LYS A 107 -21.193 6.680 0.499 1.00 0.73 H new ATOM 0 HA LYS A 107 -19.862 4.076 0.684 1.00 0.48 H new ATOM 0 HB2 LYS A 107 -20.970 3.319 -1.393 1.00 0.72 H new ATOM 0 HB3 LYS A 107 -22.094 3.486 -0.059 1.00 0.72 H new ATOM 0 HG2 LYS A 107 -22.835 5.683 -0.974 1.00 1.55 H new ATOM 0 HG3 LYS A 107 -21.730 5.487 -2.320 1.00 1.55 H new ATOM 0 HD2 LYS A 107 -22.904 3.331 -2.909 1.00 2.23 H new ATOM 0 HD3 LYS A 107 -24.057 3.647 -1.627 1.00 2.23 H new ATOM 0 HE2 LYS A 107 -24.979 4.381 -3.768 1.00 2.95 H new ATOM 0 HE3 LYS A 107 -24.724 5.766 -2.725 1.00 2.95 H new ATOM 0 HZ1 LYS A 107 -23.972 5.974 -5.112 1.00 3.53 H new ATOM 0 HZ2 LYS A 107 -22.838 6.420 -3.930 1.00 3.53 H new ATOM 0 HZ3 LYS A 107 -22.697 4.924 -4.720 1.00 3.53 H new ATOM 1708 N LYS A 108 -18.692 6.458 -0.378 1.00 0.32 N ATOM 1709 CA LYS A 108 -17.587 7.063 -1.110 1.00 0.29 C ATOM 1710 C LYS A 108 -16.433 7.318 -0.154 1.00 0.27 C ATOM 1711 O LYS A 108 -16.654 7.535 1.035 1.00 0.28 O ATOM 1712 CB LYS A 108 -18.036 8.369 -1.783 1.00 0.33 C ATOM 1713 CG LYS A 108 -16.906 9.143 -2.454 1.00 0.50 C ATOM 1714 CD LYS A 108 -17.425 10.389 -3.155 1.00 1.09 C ATOM 1715 CE LYS A 108 -16.289 11.246 -3.695 1.00 1.62 C ATOM 1716 NZ LYS A 108 -15.525 11.922 -2.609 1.00 2.44 N ATOM 0 H LYS A 108 -18.886 6.889 0.526 1.00 0.32 H new ATOM 0 HA LYS A 108 -17.257 6.381 -1.894 1.00 0.29 H new ATOM 0 HB2 LYS A 108 -18.797 8.138 -2.529 1.00 0.33 H new ATOM 0 HB3 LYS A 108 -18.506 9.008 -1.035 1.00 0.33 H new ATOM 0 HG2 LYS A 108 -16.164 9.426 -1.707 1.00 0.50 H new ATOM 0 HG3 LYS A 108 -16.402 8.501 -3.176 1.00 0.50 H new ATOM 0 HD2 LYS A 108 -18.083 10.098 -3.974 1.00 1.09 H new ATOM 0 HD3 LYS A 108 -18.024 10.976 -2.458 1.00 1.09 H new ATOM 0 HE2 LYS A 108 -15.612 10.622 -4.278 1.00 1.62 H new ATOM 0 HE3 LYS A 108 -16.694 11.997 -4.373 1.00 1.62 H new ATOM 0 HZ1 LYS A 108 -14.752 12.480 -3.024 1.00 2.44 H new ATOM 0 HZ2 LYS A 108 -16.160 12.551 -2.078 1.00 2.44 H new ATOM 0 HZ3 LYS A 108 -15.129 11.207 -1.966 1.00 2.44 H new ATOM 1730 N THR A 109 -15.209 7.237 -0.647 1.00 0.26 N ATOM 1731 CA THR A 109 -14.045 7.541 0.173 1.00 0.25 C ATOM 1732 C THR A 109 -12.859 7.969 -0.679 1.00 0.26 C ATOM 1733 O THR A 109 -12.428 7.247 -1.582 1.00 0.35 O ATOM 1734 CB THR A 109 -13.645 6.338 1.053 1.00 0.26 C ATOM 1735 OG1 THR A 109 -14.662 6.097 2.027 1.00 0.39 O ATOM 1736 CG2 THR A 109 -12.314 6.573 1.755 1.00 0.42 C ATOM 0 H THR A 109 -14.994 6.965 -1.606 1.00 0.26 H new ATOM 0 HA THR A 109 -14.326 8.371 0.822 1.00 0.25 H new ATOM 0 HB THR A 109 -13.535 5.470 0.403 1.00 0.26 H new ATOM 0 HG1 THR A 109 -15.357 6.783 1.950 1.00 0.39 H new ATOM 0 HG21 THR A 109 -12.066 5.704 2.365 1.00 0.42 H new ATOM 0 HG22 THR A 109 -11.533 6.729 1.011 1.00 0.42 H new ATOM 0 HG23 THR A 109 -12.389 7.454 2.392 1.00 0.42 H new ATOM 1744 N ARG A 110 -12.367 9.163 -0.402 1.00 0.25 N ATOM 1745 CA ARG A 110 -11.143 9.653 -1.001 1.00 0.27 C ATOM 1746 C ARG A 110 -9.962 9.361 -0.079 1.00 0.26 C ATOM 1747 O ARG A 110 -9.901 9.855 1.043 1.00 0.33 O ATOM 1748 CB ARG A 110 -11.250 11.162 -1.264 1.00 0.35 C ATOM 1749 CG ARG A 110 -9.908 11.864 -1.419 1.00 0.68 C ATOM 1750 CD ARG A 110 -9.138 11.392 -2.644 1.00 0.62 C ATOM 1751 NE ARG A 110 -9.717 11.889 -3.887 1.00 1.27 N ATOM 1752 CZ ARG A 110 -9.338 13.016 -4.489 1.00 1.75 C ATOM 1753 NH1 ARG A 110 -8.393 13.784 -3.952 1.00 2.08 N ATOM 1754 NH2 ARG A 110 -9.905 13.376 -5.631 1.00 2.59 N ATOM 0 H ARG A 110 -12.806 9.819 0.245 1.00 0.25 H new ATOM 0 HA ARG A 110 -10.984 9.144 -1.952 1.00 0.27 H new ATOM 0 HB2 ARG A 110 -11.838 11.321 -2.168 1.00 0.35 H new ATOM 0 HB3 ARG A 110 -11.797 11.625 -0.443 1.00 0.35 H new ATOM 0 HG2 ARG A 110 -10.071 12.939 -1.489 1.00 0.68 H new ATOM 0 HG3 ARG A 110 -9.306 11.690 -0.527 1.00 0.68 H new ATOM 0 HD2 ARG A 110 -8.103 11.724 -2.570 1.00 0.62 H new ATOM 0 HD3 ARG A 110 -9.123 10.302 -2.663 1.00 0.62 H new ATOM 0 HE ARG A 110 -10.458 11.340 -4.323 1.00 1.27 H new ATOM 0 HH11 ARG A 110 -7.953 13.512 -3.073 1.00 2.08 H new ATOM 0 HH12 ARG A 110 -8.109 14.645 -4.419 1.00 2.08 H new ATOM 0 HH21 ARG A 110 -10.630 12.791 -6.047 1.00 2.59 H new ATOM 0 HH22 ARG A 110 -9.617 14.238 -6.094 1.00 2.59 H new ATOM 1768 N VAL A 111 -9.037 8.547 -0.545 1.00 0.27 N ATOM 1769 CA VAL A 111 -7.822 8.301 0.181 1.00 0.27 C ATOM 1770 C VAL A 111 -6.744 9.235 -0.317 1.00 0.29 C ATOM 1771 O VAL A 111 -6.558 9.413 -1.524 1.00 0.32 O ATOM 1772 CB VAL A 111 -7.326 6.852 0.042 1.00 0.27 C ATOM 1773 CG1 VAL A 111 -7.477 6.379 -1.375 1.00 0.40 C ATOM 1774 CG2 VAL A 111 -5.875 6.761 0.435 1.00 0.33 C ATOM 0 H VAL A 111 -9.111 8.045 -1.430 1.00 0.27 H new ATOM 0 HA VAL A 111 -8.039 8.475 1.235 1.00 0.27 H new ATOM 0 HB VAL A 111 -7.926 6.223 0.700 1.00 0.27 H new ATOM 0 HG11 VAL A 111 -7.121 5.352 -1.456 1.00 0.40 H new ATOM 0 HG12 VAL A 111 -8.527 6.423 -1.663 1.00 0.40 H new ATOM 0 HG13 VAL A 111 -6.892 7.018 -2.036 1.00 0.40 H new ATOM 0 HG21 VAL A 111 -5.534 5.731 0.333 1.00 0.33 H new ATOM 0 HG22 VAL A 111 -5.281 7.406 -0.213 1.00 0.33 H new ATOM 0 HG23 VAL A 111 -5.758 7.081 1.470 1.00 0.33 H new ATOM 1784 N ASP A 112 -6.040 9.809 0.616 1.00 0.31 N ATOM 1785 CA ASP A 112 -4.995 10.746 0.310 1.00 0.37 C ATOM 1786 C ASP A 112 -3.754 10.402 1.121 1.00 0.37 C ATOM 1787 O ASP A 112 -3.756 10.454 2.350 1.00 0.40 O ATOM 1788 CB ASP A 112 -5.491 12.153 0.592 1.00 0.50 C ATOM 1789 CG ASP A 112 -4.615 13.202 -0.036 1.00 0.80 C ATOM 1790 OD1 ASP A 112 -3.923 13.928 0.710 1.00 1.12 O ATOM 1791 OD2 ASP A 112 -4.596 13.300 -1.279 1.00 1.38 O ATOM 0 H ASP A 112 -6.174 9.641 1.613 1.00 0.31 H new ATOM 0 HA ASP A 112 -4.725 10.691 -0.745 1.00 0.37 H new ATOM 0 HB2 ASP A 112 -6.509 12.260 0.216 1.00 0.50 H new ATOM 0 HB3 ASP A 112 -5.531 12.313 1.669 1.00 0.50 H new ATOM 1796 N VAL A 113 -2.716 10.003 0.415 1.00 0.38 N ATOM 1797 CA VAL A 113 -1.515 9.467 1.031 1.00 0.41 C ATOM 1798 C VAL A 113 -0.364 10.447 0.965 1.00 0.43 C ATOM 1799 O VAL A 113 0.026 10.877 -0.115 1.00 0.47 O ATOM 1800 CB VAL A 113 -1.106 8.146 0.338 1.00 0.50 C ATOM 1801 CG1 VAL A 113 0.397 7.887 0.419 1.00 0.91 C ATOM 1802 CG2 VAL A 113 -1.873 6.993 0.949 1.00 0.77 C ATOM 0 H VAL A 113 -2.679 10.040 -0.604 1.00 0.38 H new ATOM 0 HA VAL A 113 -1.742 9.281 2.081 1.00 0.41 H new ATOM 0 HB VAL A 113 -1.355 8.236 -0.719 1.00 0.50 H new ATOM 0 HG11 VAL A 113 0.632 6.948 -0.082 1.00 0.91 H new ATOM 0 HG12 VAL A 113 0.933 8.702 -0.067 1.00 0.91 H new ATOM 0 HG13 VAL A 113 0.700 7.826 1.464 1.00 0.91 H new ATOM 0 HG21 VAL A 113 -1.583 6.063 0.459 1.00 0.77 H new ATOM 0 HG22 VAL A 113 -1.646 6.929 2.013 1.00 0.77 H new ATOM 0 HG23 VAL A 113 -2.942 7.156 0.815 1.00 0.77 H new ATOM 1812 N GLU A 114 0.181 10.788 2.121 1.00 0.47 N ATOM 1813 CA GLU A 114 1.395 11.576 2.163 1.00 0.55 C ATOM 1814 C GLU A 114 2.594 10.673 2.368 1.00 0.60 C ATOM 1815 O GLU A 114 2.763 10.077 3.432 1.00 0.62 O ATOM 1816 CB GLU A 114 1.370 12.607 3.283 1.00 0.67 C ATOM 1817 CG GLU A 114 0.299 13.672 3.128 1.00 1.31 C ATOM 1818 CD GLU A 114 0.682 14.980 3.798 1.00 1.75 C ATOM 1819 OE1 GLU A 114 1.381 14.946 4.830 1.00 2.31 O ATOM 1820 OE2 GLU A 114 0.293 16.054 3.285 1.00 2.05 O ATOM 0 H GLU A 114 -0.196 10.533 3.034 1.00 0.47 H new ATOM 0 HA GLU A 114 1.467 12.100 1.210 1.00 0.55 H new ATOM 0 HB2 GLU A 114 1.219 12.092 4.232 1.00 0.67 H new ATOM 0 HB3 GLU A 114 2.344 13.093 3.335 1.00 0.67 H new ATOM 0 HG2 GLU A 114 0.118 13.849 2.068 1.00 1.31 H new ATOM 0 HG3 GLU A 114 -0.636 13.308 3.555 1.00 1.31 H new ATOM 1827 N HIS A 115 3.408 10.558 1.344 1.00 0.70 N ATOM 1828 CA HIS A 115 4.674 9.872 1.459 1.00 0.80 C ATOM 1829 C HIS A 115 5.752 10.935 1.486 1.00 0.89 C ATOM 1830 O HIS A 115 6.046 11.556 0.469 1.00 1.17 O ATOM 1831 CB HIS A 115 4.866 8.920 0.279 1.00 0.92 C ATOM 1832 CG HIS A 115 5.933 7.881 0.477 1.00 0.87 C ATOM 1833 ND1 HIS A 115 7.266 8.173 0.649 1.00 1.59 N ATOM 1834 CD2 HIS A 115 5.843 6.533 0.529 1.00 1.36 C ATOM 1835 CE1 HIS A 115 7.945 7.051 0.799 1.00 1.64 C ATOM 1836 NE2 HIS A 115 7.107 6.037 0.731 1.00 1.47 N ATOM 0 H HIS A 115 3.214 10.934 0.416 1.00 0.70 H new ATOM 0 HA HIS A 115 4.716 9.269 2.366 1.00 0.80 H new ATOM 0 HB2 HIS A 115 3.920 8.416 0.079 1.00 0.92 H new ATOM 0 HB3 HIS A 115 5.109 9.506 -0.607 1.00 0.92 H new ATOM 0 HD1 HIS A 115 7.667 9.111 0.659 1.00 1.59 H new ATOM 0 HD2 HIS A 115 4.939 5.951 0.429 1.00 1.36 H new ATOM 0 HE1 HIS A 115 9.011 6.977 0.952 1.00 1.64 H new ATOM 1845 N THR A 116 6.290 11.203 2.653 1.00 0.90 N ATOM 1846 CA THR A 116 7.198 12.321 2.801 1.00 1.08 C ATOM 1847 C THR A 116 8.152 12.088 3.952 1.00 0.83 C ATOM 1848 O THR A 116 7.808 12.306 5.114 1.00 1.67 O ATOM 1849 CB THR A 116 6.434 13.644 3.037 1.00 1.92 C ATOM 1850 OG1 THR A 116 5.376 13.785 2.078 1.00 2.67 O ATOM 1851 CG2 THR A 116 7.374 14.835 2.930 1.00 2.51 C ATOM 0 H THR A 116 6.119 10.670 3.506 1.00 0.90 H new ATOM 0 HA THR A 116 7.761 12.402 1.871 1.00 1.08 H new ATOM 0 HB THR A 116 6.012 13.615 4.041 1.00 1.92 H new ATOM 0 HG1 THR A 116 4.642 14.299 2.474 1.00 2.67 H new ATOM 0 HG21 THR A 116 6.816 15.756 3.099 1.00 2.51 H new ATOM 0 HG22 THR A 116 8.162 14.745 3.678 1.00 2.51 H new ATOM 0 HG23 THR A 116 7.819 14.859 1.935 1.00 2.51 H new ATOM 1859 N HIS A 117 9.337 11.607 3.627 1.00 0.72 N ATOM 1860 CA HIS A 117 10.377 11.436 4.621 1.00 1.13 C ATOM 1861 C HIS A 117 11.706 11.192 3.929 1.00 0.90 C ATOM 1862 O HIS A 117 12.526 12.093 3.822 1.00 0.97 O ATOM 1863 CB HIS A 117 10.040 10.275 5.561 1.00 1.98 C ATOM 1864 CG HIS A 117 10.532 10.461 6.961 1.00 2.07 C ATOM 1865 ND1 HIS A 117 9.709 10.367 8.065 1.00 2.40 N ATOM 1866 CD2 HIS A 117 11.770 10.726 7.439 1.00 2.33 C ATOM 1867 CE1 HIS A 117 10.420 10.569 9.157 1.00 2.60 C ATOM 1868 NE2 HIS A 117 11.671 10.788 8.805 1.00 2.63 N ATOM 0 H HIS A 117 9.602 11.328 2.682 1.00 0.72 H new ATOM 0 HA HIS A 117 10.448 12.344 5.220 1.00 1.13 H new ATOM 0 HB2 HIS A 117 8.959 10.141 5.582 1.00 1.98 H new ATOM 0 HB3 HIS A 117 10.467 9.358 5.156 1.00 1.98 H new ATOM 0 HD1 HIS A 117 8.708 10.172 8.040 1.00 2.40 H new ATOM 0 HD2 HIS A 117 12.668 10.863 6.854 1.00 2.33 H new ATOM 0 HE1 HIS A 117 10.041 10.557 10.168 1.00 2.60 H new ATOM 1877 N PHE A 118 11.896 9.983 3.425 1.00 0.76 N ATOM 1878 CA PHE A 118 13.158 9.604 2.805 1.00 0.76 C ATOM 1879 C PHE A 118 13.252 9.988 1.327 1.00 0.65 C ATOM 1880 O PHE A 118 14.355 10.136 0.805 1.00 0.74 O ATOM 1881 CB PHE A 118 13.409 8.111 2.992 1.00 0.97 C ATOM 1882 CG PHE A 118 14.288 7.825 4.172 1.00 1.74 C ATOM 1883 CD1 PHE A 118 15.666 7.863 4.044 1.00 2.35 C ATOM 1884 CD2 PHE A 118 13.739 7.536 5.408 1.00 2.32 C ATOM 1885 CE1 PHE A 118 16.483 7.618 5.131 1.00 3.18 C ATOM 1886 CE2 PHE A 118 14.551 7.287 6.499 1.00 3.21 C ATOM 1887 CZ PHE A 118 15.924 7.329 6.360 1.00 3.54 C ATOM 0 H PHE A 118 11.192 9.245 3.433 1.00 0.76 H new ATOM 0 HA PHE A 118 13.937 10.172 3.313 1.00 0.76 H new ATOM 0 HB2 PHE A 118 12.456 7.598 3.119 1.00 0.97 H new ATOM 0 HB3 PHE A 118 13.871 7.707 2.091 1.00 0.97 H new ATOM 0 HD1 PHE A 118 16.107 8.087 3.084 1.00 2.35 H new ATOM 0 HD2 PHE A 118 12.666 7.505 5.522 1.00 2.32 H new ATOM 0 HE1 PHE A 118 17.557 7.652 5.020 1.00 3.18 H new ATOM 0 HE2 PHE A 118 14.112 7.060 7.459 1.00 3.21 H new ATOM 0 HZ PHE A 118 16.560 7.136 7.211 1.00 3.54 H new ATOM 1897 N ASP A 119 12.115 10.148 0.657 1.00 0.66 N ATOM 1898 CA ASP A 119 12.095 10.461 -0.775 1.00 0.75 C ATOM 1899 C ASP A 119 12.848 11.750 -1.053 1.00 0.74 C ATOM 1900 O ASP A 119 13.765 11.799 -1.873 1.00 0.83 O ATOM 1901 CB ASP A 119 10.656 10.656 -1.246 1.00 0.94 C ATOM 1902 CG ASP A 119 9.680 9.732 -0.556 1.00 1.34 C ATOM 1903 OD1 ASP A 119 9.231 8.743 -1.196 1.00 1.75 O ATOM 1904 OD2 ASP A 119 9.357 9.978 0.618 1.00 1.81 O ATOM 0 H ASP A 119 11.191 10.067 1.081 1.00 0.66 H new ATOM 0 HA ASP A 119 12.566 9.631 -1.303 1.00 0.75 H new ATOM 0 HB2 ASP A 119 10.358 11.689 -1.068 1.00 0.94 H new ATOM 0 HB3 ASP A 119 10.606 10.491 -2.322 1.00 0.94 H new ATOM 1909 N ARG A 120 12.452 12.787 -0.333 1.00 0.76 N ATOM 1910 CA ARG A 120 13.046 14.110 -0.469 1.00 0.89 C ATOM 1911 C ARG A 120 14.491 14.127 0.026 1.00 0.83 C ATOM 1912 O ARG A 120 15.245 15.045 -0.287 1.00 1.00 O ATOM 1913 CB ARG A 120 12.211 15.157 0.278 1.00 1.07 C ATOM 1914 CG ARG A 120 12.205 14.996 1.789 1.00 1.50 C ATOM 1915 CD ARG A 120 11.443 16.129 2.464 1.00 1.71 C ATOM 1916 NE ARG A 120 12.000 17.440 2.125 1.00 2.15 N ATOM 1917 CZ ARG A 120 11.919 18.517 2.907 1.00 2.66 C ATOM 1918 NH1 ARG A 120 11.288 18.459 4.074 1.00 2.90 N ATOM 1919 NH2 ARG A 120 12.465 19.660 2.516 1.00 3.38 N ATOM 0 H ARG A 120 11.709 12.737 0.364 1.00 0.76 H new ATOM 0 HA ARG A 120 13.053 14.361 -1.530 1.00 0.89 H new ATOM 0 HB2 ARG A 120 12.591 16.149 0.032 1.00 1.07 H new ATOM 0 HB3 ARG A 120 11.184 15.110 -0.084 1.00 1.07 H new ATOM 0 HG2 ARG A 120 11.750 14.041 2.053 1.00 1.50 H new ATOM 0 HG3 ARG A 120 13.230 14.974 2.158 1.00 1.50 H new ATOM 0 HD2 ARG A 120 10.396 16.091 2.164 1.00 1.71 H new ATOM 0 HD3 ARG A 120 11.470 15.991 3.545 1.00 1.71 H new ATOM 0 HE ARG A 120 12.482 17.536 1.231 1.00 2.15 H new ATOM 0 HH11 ARG A 120 10.860 17.585 4.379 1.00 2.90 H new ATOM 0 HH12 ARG A 120 11.232 19.288 4.665 1.00 2.90 H new ATOM 0 HH21 ARG A 120 12.946 19.715 1.618 1.00 3.38 H new ATOM 0 HH22 ARG A 120 12.404 20.485 3.113 1.00 3.38 H new ATOM 1933 N MET A 121 14.868 13.114 0.807 1.00 0.73 N ATOM 1934 CA MET A 121 16.187 13.071 1.443 1.00 0.91 C ATOM 1935 C MET A 121 17.313 12.754 0.457 1.00 1.12 C ATOM 1936 O MET A 121 18.338 12.187 0.835 1.00 1.41 O ATOM 1937 CB MET A 121 16.208 12.049 2.585 1.00 1.05 C ATOM 1938 CG MET A 121 15.420 12.479 3.809 1.00 1.28 C ATOM 1939 SD MET A 121 16.026 14.019 4.527 1.00 2.15 S ATOM 1940 CE MET A 121 17.678 13.533 5.020 1.00 2.43 C ATOM 0 H MET A 121 14.277 12.309 1.015 1.00 0.73 H new ATOM 0 HA MET A 121 16.365 14.071 1.838 1.00 0.91 H new ATOM 0 HB2 MET A 121 15.807 11.103 2.221 1.00 1.05 H new ATOM 0 HB3 MET A 121 17.242 11.866 2.877 1.00 1.05 H new ATOM 0 HG2 MET A 121 14.371 12.599 3.536 1.00 1.28 H new ATOM 0 HG3 MET A 121 15.466 11.691 4.560 1.00 1.28 H new ATOM 0 HE1 MET A 121 18.078 14.265 5.722 1.00 2.43 H new ATOM 0 HE2 MET A 121 17.642 12.554 5.498 1.00 2.43 H new ATOM 0 HE3 MET A 121 18.321 13.484 4.141 1.00 2.43 H new ATOM 1950 N GLY A 122 17.139 13.085 -0.803 1.00 1.18 N ATOM 1951 CA GLY A 122 18.277 13.072 -1.688 1.00 1.61 C ATOM 1952 C GLY A 122 17.981 12.529 -3.056 1.00 1.21 C ATOM 1953 O GLY A 122 16.840 12.203 -3.384 1.00 1.30 O ATOM 0 H GLY A 122 16.252 13.358 -1.226 1.00 1.18 H new ATOM 0 HA2 GLY A 122 18.659 14.088 -1.787 1.00 1.61 H new ATOM 0 HA3 GLY A 122 19.069 12.476 -1.235 1.00 1.61 H new ATOM 1957 N THR A 123 19.033 12.424 -3.842 1.00 1.27 N ATOM 1958 CA THR A 123 18.935 11.982 -5.211 1.00 1.42 C ATOM 1959 C THR A 123 18.744 10.470 -5.284 1.00 1.27 C ATOM 1960 O THR A 123 17.778 9.989 -5.881 1.00 1.24 O ATOM 1961 CB THR A 123 20.200 12.391 -5.991 1.00 1.94 C ATOM 1962 OG1 THR A 123 20.458 13.787 -5.792 1.00 2.44 O ATOM 1963 CG2 THR A 123 20.047 12.110 -7.477 1.00 2.58 C ATOM 0 H THR A 123 19.983 12.645 -3.544 1.00 1.27 H new ATOM 0 HA THR A 123 18.065 12.460 -5.662 1.00 1.42 H new ATOM 0 HB THR A 123 21.036 11.801 -5.616 1.00 1.94 H new ATOM 0 HG1 THR A 123 21.263 14.045 -6.287 1.00 2.44 H new ATOM 0 HG21 THR A 123 20.956 12.409 -7.999 1.00 2.58 H new ATOM 0 HG22 THR A 123 19.875 11.045 -7.630 1.00 2.58 H new ATOM 0 HG23 THR A 123 19.201 12.674 -7.869 1.00 2.58 H new ATOM 1971 N LYS A 124 19.635 9.720 -4.641 1.00 1.28 N ATOM 1972 CA LYS A 124 19.628 8.273 -4.784 1.00 1.24 C ATOM 1973 C LYS A 124 18.735 7.579 -3.760 1.00 1.05 C ATOM 1974 O LYS A 124 18.474 6.387 -3.893 1.00 1.04 O ATOM 1975 CB LYS A 124 21.048 7.691 -4.769 1.00 1.43 C ATOM 1976 CG LYS A 124 21.950 8.195 -3.655 1.00 2.04 C ATOM 1977 CD LYS A 124 23.351 7.622 -3.811 1.00 2.45 C ATOM 1978 CE LYS A 124 24.340 8.243 -2.840 1.00 3.14 C ATOM 1979 NZ LYS A 124 24.000 7.952 -1.425 1.00 3.80 N ATOM 0 H LYS A 124 20.360 10.087 -4.025 1.00 1.28 H new ATOM 0 HA LYS A 124 19.195 8.071 -5.763 1.00 1.24 H new ATOM 0 HB2 LYS A 124 20.976 6.606 -4.692 1.00 1.43 H new ATOM 0 HB3 LYS A 124 21.523 7.912 -5.725 1.00 1.43 H new ATOM 0 HG2 LYS A 124 21.991 9.284 -3.675 1.00 2.04 H new ATOM 0 HG3 LYS A 124 21.538 7.909 -2.687 1.00 2.04 H new ATOM 0 HD2 LYS A 124 23.320 6.544 -3.654 1.00 2.45 H new ATOM 0 HD3 LYS A 124 23.696 7.786 -4.832 1.00 2.45 H new ATOM 0 HE2 LYS A 124 25.341 7.868 -3.055 1.00 3.14 H new ATOM 0 HE3 LYS A 124 24.365 9.322 -2.991 1.00 3.14 H new ATOM 0 HZ1 LYS A 124 24.712 8.382 -0.801 1.00 3.80 H new ATOM 0 HZ2 LYS A 124 23.063 8.347 -1.205 1.00 3.80 H new ATOM 0 HZ3 LYS A 124 23.986 6.923 -1.276 1.00 3.80 H new ATOM 1993 N HIS A 125 18.268 8.294 -2.734 1.00 0.96 N ATOM 1994 CA HIS A 125 17.203 7.754 -1.892 1.00 0.85 C ATOM 1995 C HIS A 125 15.948 7.540 -2.731 1.00 0.76 C ATOM 1996 O HIS A 125 15.393 6.436 -2.794 1.00 0.76 O ATOM 1997 CB HIS A 125 16.890 8.688 -0.719 1.00 0.85 C ATOM 1998 CG HIS A 125 17.839 8.560 0.432 1.00 1.23 C ATOM 1999 ND1 HIS A 125 18.562 9.614 0.936 1.00 1.80 N ATOM 2000 CD2 HIS A 125 18.163 7.493 1.194 1.00 1.80 C ATOM 2001 CE1 HIS A 125 19.292 9.204 1.953 1.00 2.14 C ATOM 2002 NE2 HIS A 125 19.069 7.917 2.134 1.00 2.12 N ATOM 0 H HIS A 125 18.600 9.222 -2.472 1.00 0.96 H new ATOM 0 HA HIS A 125 17.542 6.802 -1.483 1.00 0.85 H new ATOM 0 HB2 HIS A 125 16.903 9.718 -1.075 1.00 0.85 H new ATOM 0 HB3 HIS A 125 15.879 8.486 -0.367 1.00 0.85 H new ATOM 0 HD1 HIS A 125 18.537 10.569 0.577 1.00 1.80 H new ATOM 0 HD2 HIS A 125 17.779 6.489 1.084 1.00 1.80 H new ATOM 0 HE1 HIS A 125 19.960 9.818 2.539 1.00 2.14 H new ATOM 2011 N ALA A 126 15.533 8.594 -3.413 1.00 0.77 N ATOM 2012 CA ALA A 126 14.373 8.527 -4.281 1.00 0.80 C ATOM 2013 C ALA A 126 14.647 7.641 -5.492 1.00 0.86 C ATOM 2014 O ALA A 126 13.779 6.889 -5.928 1.00 0.92 O ATOM 2015 CB ALA A 126 13.968 9.922 -4.711 1.00 0.92 C ATOM 0 H ALA A 126 15.985 9.508 -3.381 1.00 0.77 H new ATOM 0 HA ALA A 126 13.548 8.080 -3.726 1.00 0.80 H new ATOM 0 HB1 ALA A 126 13.096 9.863 -5.363 1.00 0.92 H new ATOM 0 HB2 ALA A 126 13.724 10.517 -3.831 1.00 0.92 H new ATOM 0 HB3 ALA A 126 14.792 10.391 -5.249 1.00 0.92 H new ATOM 2021 N LYS A 127 15.867 7.723 -6.024 1.00 0.92 N ATOM 2022 CA LYS A 127 16.246 6.934 -7.194 1.00 1.05 C ATOM 2023 C LYS A 127 16.284 5.439 -6.886 1.00 0.97 C ATOM 2024 O LYS A 127 15.985 4.621 -7.755 1.00 1.04 O ATOM 2025 CB LYS A 127 17.602 7.380 -7.747 1.00 1.26 C ATOM 2026 CG LYS A 127 17.517 8.549 -8.717 1.00 1.55 C ATOM 2027 CD LYS A 127 18.878 8.873 -9.310 1.00 1.93 C ATOM 2028 CE LYS A 127 18.765 9.822 -10.492 1.00 2.38 C ATOM 2029 NZ LYS A 127 18.227 11.152 -10.101 1.00 2.83 N ATOM 0 H LYS A 127 16.607 8.326 -5.664 1.00 0.92 H new ATOM 0 HA LYS A 127 15.479 7.108 -7.949 1.00 1.05 H new ATOM 0 HB2 LYS A 127 18.249 7.657 -6.915 1.00 1.26 H new ATOM 0 HB3 LYS A 127 18.074 6.536 -8.251 1.00 1.26 H new ATOM 0 HG2 LYS A 127 16.817 8.310 -9.517 1.00 1.55 H new ATOM 0 HG3 LYS A 127 17.125 9.425 -8.201 1.00 1.55 H new ATOM 0 HD2 LYS A 127 19.512 9.320 -8.544 1.00 1.93 H new ATOM 0 HD3 LYS A 127 19.365 7.951 -9.629 1.00 1.93 H new ATOM 0 HE2 LYS A 127 19.747 9.950 -10.947 1.00 2.38 H new ATOM 0 HE3 LYS A 127 18.118 9.380 -11.249 1.00 2.38 H new ATOM 0 HZ1 LYS A 127 17.328 11.322 -10.596 1.00 2.83 H new ATOM 0 HZ2 LYS A 127 18.066 11.173 -9.074 1.00 2.83 H new ATOM 0 HZ3 LYS A 127 18.910 11.892 -10.360 1.00 2.83 H new ATOM 2043 N ARG A 128 16.651 5.076 -5.662 1.00 0.94 N ATOM 2044 CA ARG A 128 16.714 3.668 -5.297 1.00 1.00 C ATOM 2045 C ARG A 128 15.295 3.088 -5.223 1.00 0.97 C ATOM 2046 O ARG A 128 14.990 2.085 -5.871 1.00 1.09 O ATOM 2047 CB ARG A 128 17.492 3.468 -3.974 1.00 1.14 C ATOM 2048 CG ARG A 128 16.720 3.853 -2.723 1.00 1.11 C ATOM 2049 CD ARG A 128 17.602 3.953 -1.492 1.00 1.34 C ATOM 2050 NE ARG A 128 16.794 3.908 -0.275 1.00 1.59 N ATOM 2051 CZ ARG A 128 17.242 4.132 0.956 1.00 1.95 C ATOM 2052 NH1 ARG A 128 18.527 4.381 1.187 1.00 2.14 N ATOM 2053 NH2 ARG A 128 16.387 4.082 1.957 1.00 2.59 N ATOM 0 H ARG A 128 16.905 5.726 -4.918 1.00 0.94 H new ATOM 0 HA ARG A 128 17.263 3.125 -6.067 1.00 1.00 H new ATOM 0 HB2 ARG A 128 17.787 2.422 -3.896 1.00 1.14 H new ATOM 0 HB3 ARG A 128 18.409 4.056 -4.015 1.00 1.14 H new ATOM 0 HG2 ARG A 128 16.225 4.810 -2.888 1.00 1.11 H new ATOM 0 HG3 ARG A 128 15.937 3.116 -2.544 1.00 1.11 H new ATOM 0 HD2 ARG A 128 18.323 3.135 -1.487 1.00 1.34 H new ATOM 0 HD3 ARG A 128 18.173 4.881 -1.522 1.00 1.34 H new ATOM 0 HE ARG A 128 15.804 3.686 -0.379 1.00 1.59 H new ATOM 0 HH11 ARG A 128 19.190 4.403 0.412 1.00 2.14 H new ATOM 0 HH12 ARG A 128 18.850 4.550 2.139 1.00 2.14 H new ATOM 0 HH21 ARG A 128 15.404 3.875 1.779 1.00 2.59 H new ATOM 0 HH22 ARG A 128 16.708 4.250 2.911 1.00 2.59 H new ATOM 2067 N VAL A 129 14.423 3.738 -4.455 1.00 0.91 N ATOM 2068 CA VAL A 129 13.015 3.335 -4.367 1.00 1.04 C ATOM 2069 C VAL A 129 12.356 3.316 -5.756 1.00 1.04 C ATOM 2070 O VAL A 129 11.505 2.468 -6.050 1.00 1.19 O ATOM 2071 CB VAL A 129 12.226 4.287 -3.442 1.00 1.16 C ATOM 2072 CG1 VAL A 129 10.806 3.791 -3.238 1.00 1.43 C ATOM 2073 CG2 VAL A 129 12.930 4.453 -2.103 1.00 1.48 C ATOM 0 H VAL A 129 14.664 4.547 -3.883 1.00 0.91 H new ATOM 0 HA VAL A 129 12.992 2.328 -3.950 1.00 1.04 H new ATOM 0 HB VAL A 129 12.182 5.262 -3.927 1.00 1.16 H new ATOM 0 HG11 VAL A 129 10.271 4.479 -2.583 1.00 1.43 H new ATOM 0 HG12 VAL A 129 10.298 3.737 -4.201 1.00 1.43 H new ATOM 0 HG13 VAL A 129 10.828 2.800 -2.784 1.00 1.43 H new ATOM 0 HG21 VAL A 129 12.354 5.128 -1.470 1.00 1.48 H new ATOM 0 HG22 VAL A 129 13.016 3.482 -1.614 1.00 1.48 H new ATOM 0 HG23 VAL A 129 13.925 4.867 -2.264 1.00 1.48 H new ATOM 2083 N ARG A 130 12.795 4.238 -6.606 1.00 0.99 N ATOM 2084 CA ARG A 130 12.293 4.398 -7.977 1.00 1.14 C ATOM 2085 C ARG A 130 12.466 3.126 -8.818 1.00 1.05 C ATOM 2086 O ARG A 130 11.836 2.977 -9.864 1.00 1.24 O ATOM 2087 CB ARG A 130 13.051 5.561 -8.627 1.00 1.30 C ATOM 2088 CG ARG A 130 12.720 5.827 -10.087 1.00 1.75 C ATOM 2089 CD ARG A 130 13.689 6.844 -10.669 1.00 1.86 C ATOM 2090 NE ARG A 130 13.404 7.176 -12.064 1.00 2.36 N ATOM 2091 CZ ARG A 130 14.304 7.692 -12.902 1.00 2.92 C ATOM 2092 NH1 ARG A 130 15.574 7.806 -12.530 1.00 3.04 N ATOM 2093 NH2 ARG A 130 13.944 8.053 -14.125 1.00 3.83 N ATOM 0 H ARG A 130 13.523 4.910 -6.363 1.00 0.99 H new ATOM 0 HA ARG A 130 11.223 4.600 -7.933 1.00 1.14 H new ATOM 0 HB2 ARG A 130 12.848 6.467 -8.056 1.00 1.30 H new ATOM 0 HB3 ARG A 130 14.120 5.365 -8.545 1.00 1.30 H new ATOM 0 HG2 ARG A 130 12.773 4.898 -10.654 1.00 1.75 H new ATOM 0 HG3 ARG A 130 11.698 6.196 -10.174 1.00 1.75 H new ATOM 0 HD2 ARG A 130 13.653 7.754 -10.071 1.00 1.86 H new ATOM 0 HD3 ARG A 130 14.704 6.453 -10.595 1.00 1.86 H new ATOM 0 HE ARG A 130 12.463 7.003 -12.417 1.00 2.36 H new ATOM 0 HH11 ARG A 130 15.863 7.498 -11.601 1.00 3.04 H new ATOM 0 HH12 ARG A 130 16.260 8.201 -13.173 1.00 3.04 H new ATOM 0 HH21 ARG A 130 12.977 7.936 -14.427 1.00 3.83 H new ATOM 0 HH22 ARG A 130 14.634 8.447 -14.764 1.00 3.83 H new ATOM 2107 N ASN A 131 13.313 2.213 -8.349 1.00 0.85 N ATOM 2108 CA ASN A 131 13.689 1.026 -9.120 1.00 0.88 C ATOM 2109 C ASN A 131 12.487 0.190 -9.554 1.00 1.08 C ATOM 2110 O ASN A 131 12.456 -0.316 -10.676 1.00 1.24 O ATOM 2111 CB ASN A 131 14.646 0.147 -8.313 1.00 0.88 C ATOM 2112 CG ASN A 131 15.360 -0.882 -9.171 1.00 1.70 C ATOM 2113 OD1 ASN A 131 16.429 -0.615 -9.720 1.00 2.48 O ATOM 2114 ND2 ASN A 131 14.782 -2.066 -9.291 1.00 2.04 N ATOM 0 H ASN A 131 13.756 2.272 -7.432 1.00 0.85 H new ATOM 0 HA ASN A 131 14.179 1.391 -10.022 1.00 0.88 H new ATOM 0 HB2 ASN A 131 15.385 0.779 -7.820 1.00 0.88 H new ATOM 0 HB3 ASN A 131 14.089 -0.364 -7.528 1.00 0.88 H new ATOM 0 HD21 ASN A 131 15.223 -2.794 -9.853 1.00 2.04 H new ATOM 0 HD22 ASN A 131 13.896 -2.251 -8.821 1.00 2.04 H new ATOM 2121 N GLY A 132 11.506 0.025 -8.677 1.00 1.23 N ATOM 2122 CA GLY A 132 10.399 -0.848 -9.016 1.00 1.61 C ATOM 2123 C GLY A 132 9.151 -0.610 -8.195 1.00 1.21 C ATOM 2124 O GLY A 132 8.289 -1.484 -8.112 1.00 1.24 O ATOM 0 H GLY A 132 11.455 0.467 -7.759 1.00 1.23 H new ATOM 0 HA2 GLY A 132 10.157 -0.718 -10.071 1.00 1.61 H new ATOM 0 HA3 GLY A 132 10.714 -1.883 -8.887 1.00 1.61 H new ATOM 2128 N MET A 133 9.039 0.553 -7.568 1.00 1.24 N ATOM 2129 CA MET A 133 7.819 0.877 -6.839 1.00 1.38 C ATOM 2130 C MET A 133 6.748 1.356 -7.816 1.00 1.35 C ATOM 2131 O MET A 133 5.547 1.174 -7.596 1.00 1.56 O ATOM 2132 CB MET A 133 8.062 1.949 -5.769 1.00 2.06 C ATOM 2133 CG MET A 133 8.317 3.343 -6.324 1.00 2.92 C ATOM 2134 SD MET A 133 8.185 4.621 -5.059 1.00 3.99 S ATOM 2135 CE MET A 133 8.549 6.092 -6.016 1.00 4.83 C ATOM 0 H MET A 133 9.760 1.274 -7.548 1.00 1.24 H new ATOM 0 HA MET A 133 7.483 -0.028 -6.332 1.00 1.38 H new ATOM 0 HB2 MET A 133 7.197 1.987 -5.107 1.00 2.06 H new ATOM 0 HB3 MET A 133 8.916 1.651 -5.161 1.00 2.06 H new ATOM 0 HG2 MET A 133 9.311 3.378 -6.769 1.00 2.92 H new ATOM 0 HG3 MET A 133 7.603 3.550 -7.121 1.00 2.92 H new ATOM 0 HE1 MET A 133 8.505 6.968 -5.368 1.00 4.83 H new ATOM 0 HE2 MET A 133 9.547 6.008 -6.446 1.00 4.83 H new ATOM 0 HE3 MET A 133 7.816 6.196 -6.816 1.00 4.83 H new ATOM 2145 N ASP A 134 7.208 1.927 -8.924 1.00 1.38 N ATOM 2146 CA ASP A 134 6.336 2.618 -9.870 1.00 1.84 C ATOM 2147 C ASP A 134 5.621 1.646 -10.799 1.00 1.95 C ATOM 2148 O ASP A 134 4.673 2.019 -11.484 1.00 2.41 O ATOM 2149 CB ASP A 134 7.150 3.610 -10.700 1.00 2.05 C ATOM 2150 CG ASP A 134 8.224 2.921 -11.516 1.00 2.29 C ATOM 2151 OD1 ASP A 134 9.053 2.203 -10.923 1.00 2.83 O ATOM 2152 OD2 ASP A 134 8.248 3.093 -12.751 1.00 2.28 O ATOM 0 H ASP A 134 8.192 1.925 -9.192 1.00 1.38 H new ATOM 0 HA ASP A 134 5.580 3.148 -9.291 1.00 1.84 H new ATOM 0 HB2 ASP A 134 6.484 4.157 -11.367 1.00 2.05 H new ATOM 0 HB3 ASP A 134 7.612 4.343 -10.038 1.00 2.05 H new ATOM 2157 N LYS A 135 6.074 0.403 -10.822 1.00 1.70 N ATOM 2158 CA LYS A 135 5.448 -0.612 -11.661 1.00 2.03 C ATOM 2159 C LYS A 135 4.386 -1.373 -10.877 1.00 1.70 C ATOM 2160 O LYS A 135 3.774 -2.309 -11.390 1.00 2.17 O ATOM 2161 CB LYS A 135 6.484 -1.607 -12.182 1.00 2.40 C ATOM 2162 CG LYS A 135 7.156 -2.397 -11.076 1.00 3.08 C ATOM 2163 CD LYS A 135 7.674 -3.741 -11.563 1.00 3.44 C ATOM 2164 CE LYS A 135 6.540 -4.692 -11.940 1.00 3.61 C ATOM 2165 NZ LYS A 135 6.068 -4.500 -13.339 1.00 4.15 N ATOM 0 H LYS A 135 6.868 0.072 -10.274 1.00 1.70 H new ATOM 0 HA LYS A 135 4.986 -0.100 -12.505 1.00 2.03 H new ATOM 0 HB2 LYS A 135 6.001 -2.298 -12.872 1.00 2.40 H new ATOM 0 HB3 LYS A 135 7.243 -1.069 -12.749 1.00 2.40 H new ATOM 0 HG2 LYS A 135 7.984 -1.817 -10.669 1.00 3.08 H new ATOM 0 HG3 LYS A 135 6.447 -2.556 -10.263 1.00 3.08 H new ATOM 0 HD2 LYS A 135 8.321 -3.588 -12.427 1.00 3.44 H new ATOM 0 HD3 LYS A 135 8.285 -4.197 -10.784 1.00 3.44 H new ATOM 0 HE2 LYS A 135 6.877 -5.721 -11.813 1.00 3.61 H new ATOM 0 HE3 LYS A 135 5.705 -4.544 -11.256 1.00 3.61 H new ATOM 0 HZ1 LYS A 135 5.131 -4.050 -13.330 1.00 4.15 H new ATOM 0 HZ2 LYS A 135 6.739 -3.893 -13.852 1.00 4.15 H new ATOM 0 HZ3 LYS A 135 6.004 -5.423 -13.814 1.00 4.15 H new ATOM 2179 N GLY A 136 4.183 -0.985 -9.627 1.00 1.04 N ATOM 2180 CA GLY A 136 3.260 -1.709 -8.784 1.00 0.79 C ATOM 2181 C GLY A 136 2.217 -0.821 -8.151 1.00 0.65 C ATOM 2182 O GLY A 136 1.028 -1.043 -8.333 1.00 0.57 O ATOM 0 H GLY A 136 4.639 -0.187 -9.185 1.00 1.04 H new ATOM 0 HA2 GLY A 136 2.763 -2.478 -9.375 1.00 0.79 H new ATOM 0 HA3 GLY A 136 3.818 -2.221 -8.000 1.00 0.79 H new ATOM 2186 N TRP A 137 2.668 0.206 -7.444 1.00 0.68 N ATOM 2187 CA TRP A 137 1.788 1.048 -6.633 1.00 0.67 C ATOM 2188 C TRP A 137 0.606 1.617 -7.441 1.00 0.57 C ATOM 2189 O TRP A 137 -0.542 1.448 -7.030 1.00 0.56 O ATOM 2190 CB TRP A 137 2.598 2.178 -5.985 1.00 0.81 C ATOM 2191 CG TRP A 137 1.828 2.976 -4.979 1.00 0.66 C ATOM 2192 CD1 TRP A 137 1.513 4.300 -5.053 1.00 1.62 C ATOM 2193 CD2 TRP A 137 1.276 2.498 -3.748 1.00 0.93 C ATOM 2194 NE1 TRP A 137 0.805 4.679 -3.936 1.00 1.62 N ATOM 2195 CE2 TRP A 137 0.645 3.588 -3.122 1.00 0.98 C ATOM 2196 CE3 TRP A 137 1.255 1.253 -3.114 1.00 2.10 C ATOM 2197 CZ2 TRP A 137 0.002 3.469 -1.891 1.00 1.47 C ATOM 2198 CZ3 TRP A 137 0.617 1.136 -1.894 1.00 2.78 C ATOM 2199 CH2 TRP A 137 -0.002 2.236 -1.295 1.00 2.32 C ATOM 0 H TRP A 137 3.650 0.481 -7.414 1.00 0.68 H new ATOM 0 HA TRP A 137 1.358 0.418 -5.854 1.00 0.67 H new ATOM 0 HB2 TRP A 137 3.476 1.751 -5.500 1.00 0.81 H new ATOM 0 HB3 TRP A 137 2.959 2.847 -6.766 1.00 0.81 H new ATOM 0 HD1 TRP A 137 1.780 4.955 -5.869 1.00 1.62 H new ATOM 0 HE1 TRP A 137 0.456 5.618 -3.745 1.00 1.62 H new ATOM 0 HE3 TRP A 137 1.729 0.397 -3.570 1.00 2.10 H new ATOM 0 HZ2 TRP A 137 -0.475 4.318 -1.424 1.00 1.47 H new ATOM 0 HZ3 TRP A 137 0.596 0.178 -1.395 1.00 2.78 H new ATOM 0 HH2 TRP A 137 -0.494 2.111 -0.342 1.00 2.32 H new ATOM 2210 N PRO A 138 0.842 2.281 -8.597 1.00 0.58 N ATOM 2211 CA PRO A 138 -0.257 2.789 -9.432 1.00 0.61 C ATOM 2212 C PRO A 138 -1.161 1.662 -9.925 1.00 0.58 C ATOM 2213 O PRO A 138 -2.388 1.753 -9.846 1.00 0.64 O ATOM 2214 CB PRO A 138 0.456 3.459 -10.612 1.00 0.68 C ATOM 2215 CG PRO A 138 1.818 2.866 -10.624 1.00 0.66 C ATOM 2216 CD PRO A 138 2.156 2.595 -9.188 1.00 0.63 C ATOM 0 HA PRO A 138 -0.908 3.468 -8.881 1.00 0.61 H new ATOM 0 HB2 PRO A 138 -0.066 3.267 -11.549 1.00 0.68 H new ATOM 0 HB3 PRO A 138 0.497 4.541 -10.486 1.00 0.68 H new ATOM 0 HG2 PRO A 138 1.840 1.948 -11.211 1.00 0.66 H new ATOM 0 HG3 PRO A 138 2.538 3.549 -11.073 1.00 0.66 H new ATOM 0 HD2 PRO A 138 2.854 1.764 -9.087 1.00 0.63 H new ATOM 0 HD3 PRO A 138 2.618 3.459 -8.711 1.00 0.63 H new ATOM 2224 N THR A 139 -0.541 0.587 -10.401 1.00 0.57 N ATOM 2225 CA THR A 139 -1.264 -0.564 -10.909 1.00 0.62 C ATOM 2226 C THR A 139 -2.153 -1.151 -9.814 1.00 0.54 C ATOM 2227 O THR A 139 -3.291 -1.562 -10.055 1.00 0.55 O ATOM 2228 CB THR A 139 -0.275 -1.637 -11.404 1.00 0.72 C ATOM 2229 OG1 THR A 139 0.765 -1.015 -12.170 1.00 0.81 O ATOM 2230 CG2 THR A 139 -0.984 -2.680 -12.256 1.00 0.87 C ATOM 0 H THR A 139 0.474 0.493 -10.444 1.00 0.57 H new ATOM 0 HA THR A 139 -1.888 -0.243 -11.743 1.00 0.62 H new ATOM 0 HB THR A 139 0.154 -2.137 -10.536 1.00 0.72 H new ATOM 0 HG1 THR A 139 1.394 -1.698 -12.483 1.00 0.81 H new ATOM 0 HG21 THR A 139 -0.264 -3.426 -12.593 1.00 0.87 H new ATOM 0 HG22 THR A 139 -1.760 -3.166 -11.665 1.00 0.87 H new ATOM 0 HG23 THR A 139 -1.437 -2.196 -13.122 1.00 0.87 H new ATOM 2238 N ILE A 140 -1.621 -1.156 -8.599 1.00 0.50 N ATOM 2239 CA ILE A 140 -2.342 -1.646 -7.444 1.00 0.47 C ATOM 2240 C ILE A 140 -3.510 -0.728 -7.107 1.00 0.42 C ATOM 2241 O ILE A 140 -4.601 -1.203 -6.812 1.00 0.44 O ATOM 2242 CB ILE A 140 -1.410 -1.805 -6.217 1.00 0.51 C ATOM 2243 CG1 ILE A 140 -0.351 -2.878 -6.510 1.00 0.54 C ATOM 2244 CG2 ILE A 140 -2.209 -2.151 -4.966 1.00 0.54 C ATOM 2245 CD1 ILE A 140 0.450 -3.324 -5.306 1.00 0.72 C ATOM 0 H ILE A 140 -0.680 -0.821 -8.392 1.00 0.50 H new ATOM 0 HA ILE A 140 -2.733 -2.631 -7.697 1.00 0.47 H new ATOM 0 HB ILE A 140 -0.907 -0.856 -6.030 1.00 0.51 H new ATOM 0 HG12 ILE A 140 -0.845 -3.748 -6.943 1.00 0.54 H new ATOM 0 HG13 ILE A 140 0.336 -2.494 -7.264 1.00 0.54 H new ATOM 0 HG21 ILE A 140 -1.531 -2.257 -4.119 1.00 0.54 H new ATOM 0 HG22 ILE A 140 -2.925 -1.356 -4.760 1.00 0.54 H new ATOM 0 HG23 ILE A 140 -2.743 -3.088 -5.123 1.00 0.54 H new ATOM 0 HD11 ILE A 140 1.172 -4.082 -5.610 1.00 0.72 H new ATOM 0 HD12 ILE A 140 0.978 -2.469 -4.883 1.00 0.72 H new ATOM 0 HD13 ILE A 140 -0.222 -3.742 -4.557 1.00 0.72 H new ATOM 2257 N LEU A 141 -3.290 0.581 -7.183 1.00 0.39 N ATOM 2258 CA LEU A 141 -4.343 1.552 -6.884 1.00 0.36 C ATOM 2259 C LEU A 141 -5.502 1.445 -7.874 1.00 0.38 C ATOM 2260 O LEU A 141 -6.659 1.681 -7.516 1.00 0.42 O ATOM 2261 CB LEU A 141 -3.793 2.981 -6.893 1.00 0.38 C ATOM 2262 CG LEU A 141 -2.738 3.293 -5.829 1.00 0.43 C ATOM 2263 CD1 LEU A 141 -2.388 4.775 -5.851 1.00 0.69 C ATOM 2264 CD2 LEU A 141 -3.226 2.877 -4.447 1.00 0.56 C ATOM 0 H LEU A 141 -2.396 0.995 -7.448 1.00 0.39 H new ATOM 0 HA LEU A 141 -4.715 1.320 -5.886 1.00 0.36 H new ATOM 0 HB2 LEU A 141 -3.362 3.179 -7.874 1.00 0.38 H new ATOM 0 HB3 LEU A 141 -4.626 3.672 -6.766 1.00 0.38 H new ATOM 0 HG LEU A 141 -1.839 2.721 -6.057 1.00 0.43 H new ATOM 0 HD11 LEU A 141 -1.637 4.983 -5.089 1.00 0.69 H new ATOM 0 HD12 LEU A 141 -1.994 5.041 -6.832 1.00 0.69 H new ATOM 0 HD13 LEU A 141 -3.283 5.363 -5.648 1.00 0.69 H new ATOM 0 HD21 LEU A 141 -2.461 3.108 -3.706 1.00 0.56 H new ATOM 0 HD22 LEU A 141 -4.140 3.419 -4.205 1.00 0.56 H new ATOM 0 HD23 LEU A 141 -3.427 1.806 -4.439 1.00 0.56 H new ATOM 2276 N GLN A 142 -5.194 1.097 -9.114 1.00 0.43 N ATOM 2277 CA GLN A 142 -6.222 0.930 -10.135 1.00 0.48 C ATOM 2278 C GLN A 142 -7.089 -0.294 -9.844 1.00 0.47 C ATOM 2279 O GLN A 142 -8.317 -0.213 -9.870 1.00 0.48 O ATOM 2280 CB GLN A 142 -5.587 0.830 -11.526 1.00 0.58 C ATOM 2281 CG GLN A 142 -5.571 2.153 -12.284 1.00 0.88 C ATOM 2282 CD GLN A 142 -4.764 3.234 -11.585 1.00 0.78 C ATOM 2283 OE1 GLN A 142 -3.572 3.404 -11.842 1.00 1.49 O ATOM 2284 NE2 GLN A 142 -5.408 3.979 -10.702 1.00 0.77 N ATOM 0 H GLN A 142 -4.243 0.925 -9.439 1.00 0.43 H new ATOM 0 HA GLN A 142 -6.867 1.809 -10.115 1.00 0.48 H new ATOM 0 HB2 GLN A 142 -4.565 0.466 -11.425 1.00 0.58 H new ATOM 0 HB3 GLN A 142 -6.132 0.091 -12.113 1.00 0.58 H new ATOM 0 HG2 GLN A 142 -5.160 1.989 -13.280 1.00 0.88 H new ATOM 0 HG3 GLN A 142 -6.595 2.501 -12.416 1.00 0.88 H new ATOM 0 HE21 GLN A 142 -6.396 3.809 -10.515 1.00 0.77 H new ATOM 0 HE22 GLN A 142 -4.916 4.724 -10.208 1.00 0.77 H new ATOM 2293 N SER A 143 -6.449 -1.420 -9.549 1.00 0.49 N ATOM 2294 CA SER A 143 -7.169 -2.643 -9.203 1.00 0.53 C ATOM 2295 C SER A 143 -7.812 -2.523 -7.816 1.00 0.45 C ATOM 2296 O SER A 143 -8.803 -3.191 -7.514 1.00 0.46 O ATOM 2297 CB SER A 143 -6.216 -3.832 -9.256 1.00 0.64 C ATOM 2298 OG SER A 143 -5.598 -3.928 -10.526 1.00 1.15 O ATOM 0 H SER A 143 -5.433 -1.513 -9.542 1.00 0.49 H new ATOM 0 HA SER A 143 -7.969 -2.798 -9.927 1.00 0.53 H new ATOM 0 HB2 SER A 143 -5.454 -3.727 -8.483 1.00 0.64 H new ATOM 0 HB3 SER A 143 -6.762 -4.751 -9.043 1.00 0.64 H new ATOM 0 HG SER A 143 -5.242 -4.833 -10.649 1.00 1.15 H new ATOM 2304 N PHE A 144 -7.223 -1.675 -6.980 1.00 0.40 N ATOM 2305 CA PHE A 144 -7.787 -1.320 -5.682 1.00 0.36 C ATOM 2306 C PHE A 144 -9.177 -0.715 -5.866 1.00 0.32 C ATOM 2307 O PHE A 144 -10.164 -1.219 -5.327 1.00 0.34 O ATOM 2308 CB PHE A 144 -6.837 -0.323 -4.995 1.00 0.35 C ATOM 2309 CG PHE A 144 -7.313 0.252 -3.690 1.00 0.39 C ATOM 2310 CD1 PHE A 144 -7.135 -0.439 -2.506 1.00 0.62 C ATOM 2311 CD2 PHE A 144 -7.912 1.501 -3.649 1.00 0.51 C ATOM 2312 CE1 PHE A 144 -7.547 0.102 -1.304 1.00 0.80 C ATOM 2313 CE2 PHE A 144 -8.328 2.045 -2.451 1.00 0.68 C ATOM 2314 CZ PHE A 144 -8.146 1.345 -1.276 1.00 0.78 C ATOM 0 H PHE A 144 -6.337 -1.212 -7.184 1.00 0.40 H new ATOM 0 HA PHE A 144 -7.891 -2.207 -5.057 1.00 0.36 H new ATOM 0 HB2 PHE A 144 -5.883 -0.821 -4.823 1.00 0.35 H new ATOM 0 HB3 PHE A 144 -6.647 0.500 -5.684 1.00 0.35 H new ATOM 0 HD1 PHE A 144 -6.668 -1.413 -2.521 1.00 0.62 H new ATOM 0 HD2 PHE A 144 -8.055 2.055 -4.565 1.00 0.51 H new ATOM 0 HE1 PHE A 144 -7.400 -0.448 -0.386 1.00 0.80 H new ATOM 0 HE2 PHE A 144 -8.796 3.018 -2.433 1.00 0.68 H new ATOM 0 HZ PHE A 144 -8.471 1.768 -0.337 1.00 0.78 H new ATOM 2324 N GLN A 145 -9.251 0.333 -6.680 1.00 0.29 N ATOM 2325 CA GLN A 145 -10.520 0.978 -6.993 1.00 0.31 C ATOM 2326 C GLN A 145 -11.424 0.030 -7.757 1.00 0.35 C ATOM 2327 O GLN A 145 -12.645 0.126 -7.683 1.00 0.42 O ATOM 2328 CB GLN A 145 -10.277 2.227 -7.836 1.00 0.33 C ATOM 2329 CG GLN A 145 -9.563 3.330 -7.086 1.00 0.41 C ATOM 2330 CD GLN A 145 -9.147 4.479 -7.981 1.00 0.74 C ATOM 2331 OE1 GLN A 145 -9.894 5.437 -8.164 1.00 1.63 O ATOM 2332 NE2 GLN A 145 -7.947 4.397 -8.533 1.00 0.66 N ATOM 0 H GLN A 145 -8.442 0.755 -7.137 1.00 0.29 H new ATOM 0 HA GLN A 145 -11.003 1.256 -6.056 1.00 0.31 H new ATOM 0 HB2 GLN A 145 -9.690 1.955 -8.713 1.00 0.33 H new ATOM 0 HB3 GLN A 145 -11.234 2.604 -8.197 1.00 0.33 H new ATOM 0 HG2 GLN A 145 -10.215 3.708 -6.298 1.00 0.41 H new ATOM 0 HG3 GLN A 145 -8.680 2.918 -6.598 1.00 0.41 H new ATOM 0 HE21 GLN A 145 -7.358 3.583 -8.355 1.00 0.66 H new ATOM 0 HE22 GLN A 145 -7.611 5.147 -9.137 1.00 0.66 H new ATOM 2341 N ASP A 146 -10.807 -0.890 -8.478 1.00 0.36 N ATOM 2342 CA ASP A 146 -11.533 -1.789 -9.357 1.00 0.43 C ATOM 2343 C ASP A 146 -12.396 -2.758 -8.560 1.00 0.40 C ATOM 2344 O ASP A 146 -13.607 -2.818 -8.772 1.00 0.44 O ATOM 2345 CB ASP A 146 -10.569 -2.553 -10.261 1.00 0.55 C ATOM 2346 CG ASP A 146 -11.222 -2.972 -11.558 1.00 0.91 C ATOM 2347 OD1 ASP A 146 -11.191 -2.176 -12.524 1.00 1.04 O ATOM 2348 OD2 ASP A 146 -11.774 -4.083 -11.625 1.00 1.46 O ATOM 0 H ASP A 146 -9.797 -1.034 -8.471 1.00 0.36 H new ATOM 0 HA ASP A 146 -12.191 -1.186 -9.982 1.00 0.43 H new ATOM 0 HB2 ASP A 146 -9.702 -1.929 -10.477 1.00 0.55 H new ATOM 0 HB3 ASP A 146 -10.203 -3.436 -9.737 1.00 0.55 H new ATOM 2353 N LYS A 147 -11.789 -3.501 -7.629 1.00 0.42 N ATOM 2354 CA LYS A 147 -12.562 -4.415 -6.801 1.00 0.51 C ATOM 2355 C LYS A 147 -13.547 -3.647 -5.929 1.00 0.48 C ATOM 2356 O LYS A 147 -14.684 -4.075 -5.748 1.00 0.58 O ATOM 2357 CB LYS A 147 -11.677 -5.292 -5.908 1.00 0.64 C ATOM 2358 CG LYS A 147 -12.480 -6.384 -5.220 1.00 0.92 C ATOM 2359 CD LYS A 147 -13.153 -7.295 -6.237 1.00 1.03 C ATOM 2360 CE LYS A 147 -14.296 -8.093 -5.626 1.00 1.25 C ATOM 2361 NZ LYS A 147 -13.843 -8.979 -4.522 1.00 1.74 N ATOM 0 H LYS A 147 -10.787 -3.486 -7.437 1.00 0.42 H new ATOM 0 HA LYS A 147 -13.102 -5.069 -7.486 1.00 0.51 H new ATOM 0 HB2 LYS A 147 -10.888 -5.744 -6.509 1.00 0.64 H new ATOM 0 HB3 LYS A 147 -11.189 -4.671 -5.157 1.00 0.64 H new ATOM 0 HG2 LYS A 147 -11.824 -6.972 -4.579 1.00 0.92 H new ATOM 0 HG3 LYS A 147 -13.235 -5.933 -4.576 1.00 0.92 H new ATOM 0 HD2 LYS A 147 -13.532 -6.695 -7.064 1.00 1.03 H new ATOM 0 HD3 LYS A 147 -12.415 -7.981 -6.653 1.00 1.03 H new ATOM 0 HE2 LYS A 147 -15.054 -7.406 -5.249 1.00 1.25 H new ATOM 0 HE3 LYS A 147 -14.769 -8.696 -6.401 1.00 1.25 H new ATOM 0 HZ1 LYS A 147 -14.120 -9.960 -4.728 1.00 1.74 H new ATOM 0 HZ2 LYS A 147 -12.808 -8.922 -4.434 1.00 1.74 H new ATOM 0 HZ3 LYS A 147 -14.284 -8.676 -3.630 1.00 1.74 H new ATOM 2375 N ILE A 148 -13.117 -2.510 -5.395 1.00 0.39 N ATOM 2376 CA ILE A 148 -13.988 -1.709 -4.544 1.00 0.40 C ATOM 2377 C ILE A 148 -15.192 -1.196 -5.333 1.00 0.42 C ATOM 2378 O ILE A 148 -16.298 -1.091 -4.801 1.00 0.50 O ATOM 2379 CB ILE A 148 -13.229 -0.533 -3.895 1.00 0.35 C ATOM 2380 CG1 ILE A 148 -12.114 -1.066 -2.997 1.00 0.38 C ATOM 2381 CG2 ILE A 148 -14.180 0.344 -3.092 1.00 0.46 C ATOM 2382 CD1 ILE A 148 -11.304 0.015 -2.325 1.00 0.37 C ATOM 0 H ILE A 148 -12.182 -2.126 -5.534 1.00 0.39 H new ATOM 0 HA ILE A 148 -14.344 -2.356 -3.742 1.00 0.40 H new ATOM 0 HB ILE A 148 -12.789 0.076 -4.685 1.00 0.35 H new ATOM 0 HG12 ILE A 148 -12.552 -1.708 -2.232 1.00 0.38 H new ATOM 0 HG13 ILE A 148 -11.447 -1.689 -3.593 1.00 0.38 H new ATOM 0 HG21 ILE A 148 -13.624 1.167 -2.643 1.00 0.46 H new ATOM 0 HG22 ILE A 148 -14.951 0.744 -3.751 1.00 0.46 H new ATOM 0 HG23 ILE A 148 -14.647 -0.250 -2.306 1.00 0.46 H new ATOM 0 HD11 ILE A 148 -10.532 -0.441 -1.705 1.00 0.37 H new ATOM 0 HD12 ILE A 148 -10.836 0.643 -3.083 1.00 0.37 H new ATOM 0 HD13 ILE A 148 -11.958 0.625 -1.701 1.00 0.37 H new ATOM 2394 N ASP A 149 -14.982 -0.901 -6.611 1.00 0.41 N ATOM 2395 CA ASP A 149 -16.074 -0.477 -7.478 1.00 0.49 C ATOM 2396 C ASP A 149 -17.049 -1.630 -7.682 1.00 0.55 C ATOM 2397 O ASP A 149 -18.255 -1.420 -7.803 1.00 0.64 O ATOM 2398 CB ASP A 149 -15.541 0.011 -8.828 1.00 0.54 C ATOM 2399 CG ASP A 149 -16.612 0.669 -9.678 1.00 0.65 C ATOM 2400 OD1 ASP A 149 -16.831 1.885 -9.537 1.00 0.85 O ATOM 2401 OD2 ASP A 149 -17.245 -0.034 -10.495 1.00 0.77 O ATOM 0 H ASP A 149 -14.071 -0.947 -7.067 1.00 0.41 H new ATOM 0 HA ASP A 149 -16.595 0.352 -6.999 1.00 0.49 H new ATOM 0 HB2 ASP A 149 -14.731 0.720 -8.659 1.00 0.54 H new ATOM 0 HB3 ASP A 149 -15.118 -0.833 -9.373 1.00 0.54 H new ATOM 2406 N GLU A 150 -16.522 -2.855 -7.677 1.00 0.57 N ATOM 2407 CA GLU A 150 -17.342 -4.050 -7.849 1.00 0.68 C ATOM 2408 C GLU A 150 -18.248 -4.241 -6.647 1.00 0.75 C ATOM 2409 O GLU A 150 -19.381 -4.709 -6.769 1.00 0.89 O ATOM 2410 CB GLU A 150 -16.468 -5.293 -8.056 1.00 0.76 C ATOM 2411 CG GLU A 150 -15.595 -5.221 -9.296 1.00 0.78 C ATOM 2412 CD GLU A 150 -14.956 -6.547 -9.645 1.00 1.10 C ATOM 2413 OE1 GLU A 150 -13.770 -6.744 -9.296 1.00 1.45 O ATOM 2414 OE2 GLU A 150 -15.632 -7.407 -10.245 1.00 1.50 O ATOM 0 H GLU A 150 -15.527 -3.044 -7.555 1.00 0.57 H new ATOM 0 HA GLU A 150 -17.956 -3.915 -8.739 1.00 0.68 H new ATOM 0 HB2 GLU A 150 -15.832 -5.430 -7.181 1.00 0.76 H new ATOM 0 HB3 GLU A 150 -17.110 -6.171 -8.124 1.00 0.76 H new ATOM 0 HG2 GLU A 150 -16.197 -4.881 -10.139 1.00 0.78 H new ATOM 0 HG3 GLU A 150 -14.814 -4.477 -9.141 1.00 0.78 H new ATOM 2421 N GLU A 151 -17.747 -3.845 -5.493 1.00 0.72 N ATOM 2422 CA GLU A 151 -18.499 -3.940 -4.258 1.00 0.84 C ATOM 2423 C GLU A 151 -19.491 -2.783 -4.155 1.00 0.88 C ATOM 2424 O GLU A 151 -20.402 -2.800 -3.324 1.00 1.06 O ATOM 2425 CB GLU A 151 -17.536 -3.929 -3.067 1.00 0.86 C ATOM 2426 CG GLU A 151 -16.371 -4.901 -3.213 1.00 0.95 C ATOM 2427 CD GLU A 151 -16.811 -6.349 -3.335 1.00 1.39 C ATOM 2428 OE1 GLU A 151 -17.215 -6.766 -4.440 1.00 1.74 O ATOM 2429 OE2 GLU A 151 -16.741 -7.081 -2.330 1.00 1.63 O ATOM 0 H GLU A 151 -16.813 -3.451 -5.386 1.00 0.72 H new ATOM 0 HA GLU A 151 -19.060 -4.875 -4.250 1.00 0.84 H new ATOM 0 HB2 GLU A 151 -17.143 -2.921 -2.938 1.00 0.86 H new ATOM 0 HB3 GLU A 151 -18.090 -4.173 -2.161 1.00 0.86 H new ATOM 0 HG2 GLU A 151 -15.788 -4.630 -4.093 1.00 0.95 H new ATOM 0 HG3 GLU A 151 -15.712 -4.800 -2.351 1.00 0.95 H new ATOM 2436 N GLY A 152 -19.313 -1.793 -5.021 1.00 0.84 N ATOM 2437 CA GLY A 152 -20.163 -0.621 -5.002 1.00 0.96 C ATOM 2438 C GLY A 152 -21.241 -0.658 -6.067 1.00 1.04 C ATOM 2439 O GLY A 152 -22.408 -0.903 -5.765 1.00 1.32 O ATOM 0 H GLY A 152 -18.590 -1.783 -5.740 1.00 0.84 H new ATOM 0 HA2 GLY A 152 -20.631 -0.533 -4.021 1.00 0.96 H new ATOM 0 HA3 GLY A 152 -19.550 0.269 -5.143 1.00 0.96 H new ATOM 2443 N ALA A 153 -20.861 -0.418 -7.319 1.00 1.14 N ATOM 2444 CA ALA A 153 -21.832 -0.354 -8.408 1.00 1.47 C ATOM 2445 C ALA A 153 -21.215 -0.770 -9.743 1.00 1.29 C ATOM 2446 O ALA A 153 -21.555 -0.226 -10.791 1.00 1.70 O ATOM 2447 CB ALA A 153 -22.420 1.048 -8.506 1.00 1.92 C ATOM 0 H ALA A 153 -19.894 -0.265 -7.604 1.00 1.14 H new ATOM 0 HA ALA A 153 -22.631 -1.061 -8.183 1.00 1.47 H new ATOM 0 HB1 ALA A 153 -23.142 1.083 -9.321 1.00 1.92 H new ATOM 0 HB2 ALA A 153 -22.917 1.300 -7.569 1.00 1.92 H new ATOM 0 HB3 ALA A 153 -21.622 1.765 -8.697 1.00 1.92 H new ATOM 2453 N LYS A 154 -20.311 -1.744 -9.701 1.00 1.09 N ATOM 2454 CA LYS A 154 -19.759 -2.343 -10.919 1.00 1.02 C ATOM 2455 C LYS A 154 -20.790 -3.279 -11.543 1.00 1.38 C ATOM 2456 O LYS A 154 -20.630 -3.752 -12.669 1.00 2.04 O ATOM 2457 CB LYS A 154 -18.489 -3.133 -10.584 1.00 0.91 C ATOM 2458 CG LYS A 154 -17.809 -3.798 -11.773 1.00 1.02 C ATOM 2459 CD LYS A 154 -16.872 -2.851 -12.500 1.00 0.95 C ATOM 2460 CE LYS A 154 -15.683 -2.466 -11.629 1.00 0.73 C ATOM 2461 NZ LYS A 154 -14.678 -1.670 -12.380 1.00 1.32 N ATOM 0 H LYS A 154 -19.942 -2.139 -8.836 1.00 1.09 H new ATOM 0 HA LYS A 154 -19.513 -1.550 -11.625 1.00 1.02 H new ATOM 0 HB2 LYS A 154 -17.776 -2.460 -10.108 1.00 0.91 H new ATOM 0 HB3 LYS A 154 -18.740 -3.901 -9.853 1.00 0.91 H new ATOM 0 HG2 LYS A 154 -17.249 -4.668 -11.430 1.00 1.02 H new ATOM 0 HG3 LYS A 154 -18.567 -4.161 -12.467 1.00 1.02 H new ATOM 0 HD2 LYS A 154 -16.516 -3.322 -13.416 1.00 0.95 H new ATOM 0 HD3 LYS A 154 -17.416 -1.953 -12.793 1.00 0.95 H new ATOM 0 HE2 LYS A 154 -16.033 -1.892 -10.771 1.00 0.73 H new ATOM 0 HE3 LYS A 154 -15.213 -3.368 -11.238 1.00 0.73 H new ATOM 0 HZ1 LYS A 154 -13.886 -1.429 -11.751 1.00 1.32 H new ATOM 0 HZ2 LYS A 154 -14.325 -2.227 -13.184 1.00 1.32 H new ATOM 0 HZ3 LYS A 154 -15.119 -0.796 -12.731 1.00 1.32 H new ATOM 2475 N LYS A 155 -21.844 -3.548 -10.790 1.00 1.82 N ATOM 2476 CA LYS A 155 -22.871 -4.479 -11.216 1.00 2.44 C ATOM 2477 C LYS A 155 -23.884 -3.762 -12.102 1.00 3.14 C ATOM 2478 O LYS A 155 -23.640 -3.657 -13.323 1.00 3.71 O ATOM 2479 CB LYS A 155 -23.571 -5.085 -9.996 1.00 2.82 C ATOM 2480 CG LYS A 155 -22.616 -5.480 -8.876 1.00 2.95 C ATOM 2481 CD LYS A 155 -23.361 -6.062 -7.685 1.00 3.46 C ATOM 2482 CE LYS A 155 -22.472 -6.157 -6.453 1.00 3.45 C ATOM 2483 NZ LYS A 155 -21.274 -7.009 -6.677 1.00 4.22 N ATOM 2484 OXT LYS A 155 -24.906 -3.284 -11.570 1.00 3.60 O ATOM 0 H LYS A 155 -22.009 -3.130 -9.874 1.00 1.82 H new ATOM 0 HA LYS A 155 -22.407 -5.283 -11.788 1.00 2.44 H new ATOM 0 HB2 LYS A 155 -24.294 -4.367 -9.609 1.00 2.82 H new ATOM 0 HB3 LYS A 155 -24.133 -5.965 -10.310 1.00 2.82 H new ATOM 0 HG2 LYS A 155 -21.898 -6.211 -9.250 1.00 2.95 H new ATOM 0 HG3 LYS A 155 -22.046 -4.607 -8.558 1.00 2.95 H new ATOM 0 HD2 LYS A 155 -24.228 -5.441 -7.460 1.00 3.46 H new ATOM 0 HD3 LYS A 155 -23.736 -7.053 -7.940 1.00 3.46 H new ATOM 0 HE2 LYS A 155 -22.152 -5.156 -6.162 1.00 3.45 H new ATOM 0 HE3 LYS A 155 -23.051 -6.561 -5.622 1.00 3.45 H new ATOM 0 HZ1 LYS A 155 -21.163 -7.668 -5.880 1.00 4.22 H new ATOM 0 HZ2 LYS A 155 -21.391 -7.548 -7.559 1.00 4.22 H new ATOM 0 HZ3 LYS A 155 -20.429 -6.407 -6.749 1.00 4.22 H new TER 2498 LYS A 155