USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 751 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 26 LYS NZ :NH3+ -170:sc=-0.00898 (180deg=-0.19) USER MOD Set 1.2: A 29 SER OG : rot 180:sc= -0.0053 USER MOD Set 2.1: A 4 LYS NZ :NH3+ -174:sc= 0.842 (180deg=0) USER MOD Set 2.2: A 40 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 67 THR OG1 : rot -100:sc= -2.28! USER MOD Single : A 7 LYS NZ :NH3+ -159:sc= 0.234 (180deg=0.126) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00951 USER MOD Single : A 12 LYS NZ :NH3+ -168:sc= -0.52 (180deg=-1.28!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 2:sc= 1.25 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 7:sc= -2.12! USER MOD Single : A 37 THR OG1 : rot -49:sc= -0.589! USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 41 CYS SG : rot 74:sc= 0.141 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 148:sc= -1.95! (180deg=-3.64!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 160:sc= 0.379 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 15:sc= -2.08! USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 58:sc= -5.01! USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -161:sc= 0.476 (180deg=0.175) USER MOD Single : A 85 HIS : no HE2:sc= -2.2! C(o=-2.2!,f=-9!) USER MOD Single : A 86 TYR OH : rot -169:sc= 0.692 USER MOD Single : A 87 ASN : amide:sc= -3.19 K(o=-3.2,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 4.183 -11.544 -3.651 1.00 0.62 N ATOM 21 CA GLU A 2 4.140 -10.763 -4.882 1.00 0.43 C ATOM 22 C GLU A 2 3.202 -9.568 -4.744 1.00 0.39 C ATOM 23 O GLU A 2 1.999 -9.731 -4.540 1.00 0.56 O ATOM 24 CB GLU A 2 3.692 -11.643 -6.053 1.00 0.96 C ATOM 25 CG GLU A 2 4.639 -11.602 -7.241 1.00 1.73 C ATOM 26 CD GLU A 2 4.240 -12.570 -8.338 1.00 2.34 C ATOM 27 OE1 GLU A 2 4.163 -13.785 -8.060 1.00 2.59 O ATOM 28 OE2 GLU A 2 4.006 -12.113 -9.477 1.00 2.92 O ATOM 0 HA GLU A 2 5.145 -10.389 -5.077 1.00 0.43 H new ATOM 0 HB2 GLU A 2 3.599 -12.673 -5.708 1.00 0.96 H new ATOM 0 HB3 GLU A 2 2.701 -11.325 -6.377 1.00 0.96 H new ATOM 0 HG2 GLU A 2 4.665 -10.590 -7.646 1.00 1.73 H new ATOM 0 HG3 GLU A 2 5.649 -11.836 -6.904 1.00 1.73 H new ATOM 35 N VAL A 3 3.755 -8.368 -4.890 1.00 0.37 N ATOM 36 CA VAL A 3 2.974 -7.147 -4.800 1.00 0.36 C ATOM 37 C VAL A 3 2.196 -6.918 -6.089 1.00 0.34 C ATOM 38 O VAL A 3 2.753 -6.475 -7.095 1.00 0.49 O ATOM 39 CB VAL A 3 3.886 -5.933 -4.532 1.00 0.46 C ATOM 40 CG1 VAL A 3 3.074 -4.651 -4.445 1.00 0.47 C ATOM 41 CG2 VAL A 3 4.698 -6.145 -3.263 1.00 0.66 C ATOM 0 H VAL A 3 4.747 -8.219 -5.072 1.00 0.37 H new ATOM 0 HA VAL A 3 2.276 -7.256 -3.970 1.00 0.36 H new ATOM 0 HB VAL A 3 4.577 -5.836 -5.369 1.00 0.46 H new ATOM 0 HG11 VAL A 3 3.741 -3.810 -4.255 1.00 0.47 H new ATOM 0 HG12 VAL A 3 2.546 -4.490 -5.385 1.00 0.47 H new ATOM 0 HG13 VAL A 3 2.352 -4.732 -3.632 1.00 0.47 H new ATOM 0 HG21 VAL A 3 5.336 -5.278 -3.090 1.00 0.66 H new ATOM 0 HG22 VAL A 3 4.023 -6.274 -2.417 1.00 0.66 H new ATOM 0 HG23 VAL A 3 5.318 -7.035 -3.372 1.00 0.66 H new ATOM 51 N LYS A 4 0.906 -7.232 -6.056 1.00 0.29 N ATOM 52 CA LYS A 4 0.052 -7.073 -7.224 1.00 0.31 C ATOM 53 C LYS A 4 -0.613 -5.704 -7.229 1.00 0.30 C ATOM 54 O LYS A 4 -0.958 -5.167 -6.177 1.00 0.30 O ATOM 55 CB LYS A 4 -1.010 -8.174 -7.255 1.00 0.32 C ATOM 56 CG LYS A 4 -2.087 -8.015 -6.195 1.00 0.31 C ATOM 57 CD LYS A 4 -1.960 -9.073 -5.113 1.00 0.40 C ATOM 58 CE LYS A 4 -3.223 -9.161 -4.272 1.00 0.44 C ATOM 59 NZ LYS A 4 -3.306 -10.448 -3.528 1.00 1.09 N ATOM 0 H LYS A 4 0.430 -7.598 -5.232 1.00 0.29 H new ATOM 0 HA LYS A 4 0.675 -7.154 -8.115 1.00 0.31 H new ATOM 0 HB2 LYS A 4 -1.480 -8.186 -8.239 1.00 0.32 H new ATOM 0 HB3 LYS A 4 -0.523 -9.140 -7.123 1.00 0.32 H new ATOM 0 HG2 LYS A 4 -2.015 -7.024 -5.747 1.00 0.31 H new ATOM 0 HG3 LYS A 4 -3.070 -8.084 -6.660 1.00 0.31 H new ATOM 0 HD2 LYS A 4 -1.758 -10.041 -5.571 1.00 0.40 H new ATOM 0 HD3 LYS A 4 -1.110 -8.840 -4.472 1.00 0.40 H new ATOM 0 HE2 LYS A 4 -3.247 -8.331 -3.566 1.00 0.44 H new ATOM 0 HE3 LYS A 4 -4.096 -9.057 -4.916 1.00 0.44 H new ATOM 0 HZ1 LYS A 4 -4.226 -10.513 -3.048 1.00 1.09 H new ATOM 0 HZ2 LYS A 4 -3.206 -11.241 -4.194 1.00 1.09 H new ATOM 0 HZ3 LYS A 4 -2.544 -10.491 -2.822 1.00 1.09 H new ATOM 73 N ILE A 5 -0.783 -5.140 -8.419 1.00 0.31 N ATOM 74 CA ILE A 5 -1.396 -3.827 -8.557 1.00 0.33 C ATOM 75 C ILE A 5 -2.787 -3.932 -9.163 1.00 0.33 C ATOM 76 O ILE A 5 -2.952 -4.377 -10.300 1.00 0.42 O ATOM 77 CB ILE A 5 -0.526 -2.895 -9.419 1.00 0.45 C ATOM 78 CG1 ILE A 5 0.930 -2.942 -8.940 1.00 0.50 C ATOM 79 CG2 ILE A 5 -1.059 -1.472 -9.371 1.00 0.47 C ATOM 80 CD1 ILE A 5 1.083 -2.800 -7.443 1.00 0.80 C ATOM 0 H ILE A 5 -0.505 -5.572 -9.300 1.00 0.31 H new ATOM 0 HA ILE A 5 -1.479 -3.403 -7.556 1.00 0.33 H new ATOM 0 HB ILE A 5 -0.564 -3.238 -10.453 1.00 0.45 H new ATOM 0 HG12 ILE A 5 1.376 -3.886 -9.254 1.00 0.50 H new ATOM 0 HG13 ILE A 5 1.490 -2.146 -9.431 1.00 0.50 H new ATOM 0 HG21 ILE A 5 -0.431 -0.827 -9.986 1.00 0.47 H new ATOM 0 HG22 ILE A 5 -2.081 -1.453 -9.751 1.00 0.47 H new ATOM 0 HG23 ILE A 5 -1.048 -1.114 -8.342 1.00 0.47 H new ATOM 0 HD11 ILE A 5 2.140 -2.843 -7.180 1.00 0.80 H new ATOM 0 HD12 ILE A 5 0.668 -1.844 -7.124 1.00 0.80 H new ATOM 0 HD13 ILE A 5 0.552 -3.611 -6.944 1.00 0.80 H new ATOM 92 N GLU A 6 -3.788 -3.515 -8.396 1.00 0.29 N ATOM 93 CA GLU A 6 -5.172 -3.585 -8.852 1.00 0.34 C ATOM 94 C GLU A 6 -6.027 -2.492 -8.217 1.00 0.31 C ATOM 95 O GLU A 6 -5.745 -2.030 -7.113 1.00 0.32 O ATOM 96 CB GLU A 6 -5.765 -4.958 -8.527 1.00 0.41 C ATOM 97 CG GLU A 6 -6.628 -5.526 -9.642 1.00 0.79 C ATOM 98 CD GLU A 6 -6.275 -6.961 -9.978 1.00 1.35 C ATOM 99 OE1 GLU A 6 -5.853 -7.700 -9.063 1.00 2.00 O ATOM 100 OE2 GLU A 6 -6.421 -7.349 -11.156 1.00 1.86 O ATOM 0 H GLU A 6 -3.669 -3.127 -7.460 1.00 0.29 H new ATOM 0 HA GLU A 6 -5.173 -3.433 -9.931 1.00 0.34 H new ATOM 0 HB2 GLU A 6 -4.954 -5.655 -8.316 1.00 0.41 H new ATOM 0 HB3 GLU A 6 -6.363 -4.881 -7.619 1.00 0.41 H new ATOM 0 HG2 GLU A 6 -7.676 -5.473 -9.348 1.00 0.79 H new ATOM 0 HG3 GLU A 6 -6.515 -4.910 -10.534 1.00 0.79 H new ATOM 107 N LYS A 7 -7.069 -2.077 -8.931 1.00 0.36 N ATOM 108 CA LYS A 7 -7.983 -1.054 -8.435 1.00 0.36 C ATOM 109 C LYS A 7 -9.341 -1.670 -8.102 1.00 0.37 C ATOM 110 O LYS A 7 -10.146 -1.928 -8.998 1.00 0.43 O ATOM 111 CB LYS A 7 -8.151 0.055 -9.476 1.00 0.42 C ATOM 112 CG LYS A 7 -6.890 0.873 -9.703 1.00 0.51 C ATOM 113 CD LYS A 7 -6.607 1.062 -11.185 1.00 0.76 C ATOM 114 CE LYS A 7 -5.223 0.555 -11.559 1.00 1.18 C ATOM 115 NZ LYS A 7 -4.175 1.592 -11.345 1.00 1.91 N ATOM 0 H LYS A 7 -7.302 -2.435 -9.857 1.00 0.36 H new ATOM 0 HA LYS A 7 -7.562 -0.624 -7.526 1.00 0.36 H new ATOM 0 HB2 LYS A 7 -8.461 -0.390 -10.422 1.00 0.42 H new ATOM 0 HB3 LYS A 7 -8.954 0.721 -9.159 1.00 0.42 H new ATOM 0 HG2 LYS A 7 -6.996 1.847 -9.225 1.00 0.51 H new ATOM 0 HG3 LYS A 7 -6.043 0.376 -9.230 1.00 0.51 H new ATOM 0 HD2 LYS A 7 -7.359 0.533 -11.770 1.00 0.76 H new ATOM 0 HD3 LYS A 7 -6.689 2.119 -11.440 1.00 0.76 H new ATOM 0 HE2 LYS A 7 -4.987 -0.328 -10.965 1.00 1.18 H new ATOM 0 HE3 LYS A 7 -5.220 0.246 -12.604 1.00 1.18 H new ATOM 0 HZ1 LYS A 7 -3.338 1.364 -11.919 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 -4.545 2.522 -11.626 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 -3.909 1.615 -10.340 1.00 1.91 H new ATOM 129 N PRO A 8 -9.614 -1.931 -6.811 1.00 0.35 N ATOM 130 CA PRO A 8 -10.864 -2.565 -6.379 1.00 0.39 C ATOM 131 C PRO A 8 -12.108 -1.823 -6.857 1.00 0.51 C ATOM 132 O PRO A 8 -12.198 -0.600 -6.751 1.00 0.72 O ATOM 133 CB PRO A 8 -10.788 -2.542 -4.845 1.00 0.44 C ATOM 134 CG PRO A 8 -9.659 -1.624 -4.513 1.00 0.60 C ATOM 135 CD PRO A 8 -8.714 -1.691 -5.674 1.00 0.33 C ATOM 0 HA PRO A 8 -10.956 -3.567 -6.798 1.00 0.39 H new ATOM 0 HB2 PRO A 8 -11.723 -2.186 -4.411 1.00 0.44 H new ATOM 0 HB3 PRO A 8 -10.611 -3.541 -4.446 1.00 0.44 H new ATOM 0 HG2 PRO A 8 -10.017 -0.606 -4.360 1.00 0.60 H new ATOM 0 HG3 PRO A 8 -9.166 -1.931 -3.591 1.00 0.60 H new ATOM 0 HD2 PRO A 8 -8.151 -0.765 -5.792 1.00 0.33 H new ATOM 0 HD3 PRO A 8 -7.986 -2.494 -5.558 1.00 0.33 H new ATOM 143 N THR A 9 -13.069 -2.584 -7.372 1.00 0.48 N ATOM 144 CA THR A 9 -14.331 -2.026 -7.843 1.00 0.63 C ATOM 145 C THR A 9 -15.351 -2.000 -6.709 1.00 0.87 C ATOM 146 O THR A 9 -15.214 -2.734 -5.730 1.00 1.46 O ATOM 147 CB THR A 9 -14.870 -2.861 -9.007 1.00 0.64 C ATOM 148 OG1 THR A 9 -13.873 -3.744 -9.489 1.00 1.47 O ATOM 149 CG2 THR A 9 -15.352 -2.032 -10.174 1.00 1.31 C ATOM 0 H THR A 9 -12.996 -3.596 -7.474 1.00 0.48 H new ATOM 0 HA THR A 9 -14.157 -1.006 -8.185 1.00 0.63 H new ATOM 0 HB THR A 9 -15.722 -3.405 -8.600 1.00 0.64 H new ATOM 0 HG1 THR A 9 -14.234 -4.271 -10.232 1.00 1.47 H new ATOM 0 HG21 THR A 9 -15.720 -2.691 -10.961 1.00 1.31 H new ATOM 0 HG22 THR A 9 -16.157 -1.375 -9.845 1.00 1.31 H new ATOM 0 HG23 THR A 9 -14.528 -1.432 -10.559 1.00 1.31 H new ATOM 157 N PRO A 10 -16.398 -1.166 -6.823 1.00 0.75 N ATOM 158 CA PRO A 10 -17.440 -1.077 -5.800 1.00 1.04 C ATOM 159 C PRO A 10 -17.958 -2.452 -5.393 1.00 0.88 C ATOM 160 O PRO A 10 -18.456 -2.636 -4.283 1.00 1.00 O ATOM 161 CB PRO A 10 -18.537 -0.261 -6.484 1.00 1.48 C ATOM 162 CG PRO A 10 -17.807 0.581 -7.471 1.00 1.30 C ATOM 163 CD PRO A 10 -16.658 -0.259 -7.957 1.00 0.69 C ATOM 0 HA PRO A 10 -17.078 -0.627 -4.876 1.00 1.04 H new ATOM 0 HB2 PRO A 10 -19.266 -0.906 -6.974 1.00 1.48 H new ATOM 0 HB3 PRO A 10 -19.084 0.351 -5.766 1.00 1.48 H new ATOM 0 HG2 PRO A 10 -18.458 0.868 -8.297 1.00 1.30 H new ATOM 0 HG3 PRO A 10 -17.450 1.502 -7.011 1.00 1.30 H new ATOM 0 HD2 PRO A 10 -16.916 -0.810 -8.862 1.00 0.69 H new ATOM 0 HD3 PRO A 10 -15.786 0.350 -8.193 1.00 0.69 H new ATOM 171 N GLU A 11 -17.814 -3.420 -6.294 1.00 0.71 N ATOM 172 CA GLU A 11 -18.244 -4.785 -6.022 1.00 0.78 C ATOM 173 C GLU A 11 -17.293 -5.461 -5.042 1.00 0.67 C ATOM 174 O GLU A 11 -17.726 -6.077 -4.067 1.00 0.75 O ATOM 175 CB GLU A 11 -18.318 -5.589 -7.320 1.00 0.84 C ATOM 176 CG GLU A 11 -19.702 -5.604 -7.947 1.00 1.27 C ATOM 177 CD GLU A 11 -20.653 -6.545 -7.236 1.00 2.11 C ATOM 178 OE1 GLU A 11 -21.110 -6.199 -6.125 1.00 2.71 O ATOM 179 OE2 GLU A 11 -20.942 -7.627 -7.788 1.00 2.59 O ATOM 0 H GLU A 11 -17.403 -3.283 -7.217 1.00 0.71 H new ATOM 0 HA GLU A 11 -19.237 -4.748 -5.574 1.00 0.78 H new ATOM 0 HB2 GLU A 11 -17.608 -5.174 -8.036 1.00 0.84 H new ATOM 0 HB3 GLU A 11 -18.007 -6.615 -7.121 1.00 0.84 H new ATOM 0 HG2 GLU A 11 -20.115 -4.595 -7.931 1.00 1.27 H new ATOM 0 HG3 GLU A 11 -19.620 -5.898 -8.993 1.00 1.27 H new ATOM 186 N LYS A 12 -15.997 -5.334 -5.300 1.00 0.56 N ATOM 187 CA LYS A 12 -14.987 -5.913 -4.424 1.00 0.53 C ATOM 188 C LYS A 12 -14.923 -5.142 -3.112 1.00 0.48 C ATOM 189 O LYS A 12 -14.675 -5.717 -2.052 1.00 0.50 O ATOM 190 CB LYS A 12 -13.619 -5.903 -5.110 1.00 0.53 C ATOM 191 CG LYS A 12 -13.577 -6.715 -6.394 1.00 0.86 C ATOM 192 CD LYS A 12 -12.548 -7.831 -6.316 1.00 0.66 C ATOM 193 CE LYS A 12 -11.138 -7.307 -6.531 1.00 0.83 C ATOM 194 NZ LYS A 12 -11.065 -6.359 -7.675 1.00 1.47 N ATOM 0 H LYS A 12 -15.622 -4.836 -6.107 1.00 0.56 H new ATOM 0 HA LYS A 12 -15.262 -6.946 -4.211 1.00 0.53 H new ATOM 0 HB2 LYS A 12 -13.341 -4.873 -5.332 1.00 0.53 H new ATOM 0 HB3 LYS A 12 -12.872 -6.293 -4.419 1.00 0.53 H new ATOM 0 HG2 LYS A 12 -14.562 -7.140 -6.589 1.00 0.86 H new ATOM 0 HG3 LYS A 12 -13.341 -6.060 -7.232 1.00 0.86 H new ATOM 0 HD2 LYS A 12 -12.611 -8.318 -5.343 1.00 0.66 H new ATOM 0 HD3 LYS A 12 -12.774 -8.588 -7.067 1.00 0.66 H new ATOM 0 HE2 LYS A 12 -10.794 -6.809 -5.625 1.00 0.83 H new ATOM 0 HE3 LYS A 12 -10.463 -8.144 -6.710 1.00 0.83 H new ATOM 0 HZ1 LYS A 12 -10.069 -6.183 -7.917 1.00 1.47 H new ATOM 0 HZ2 LYS A 12 -11.554 -6.768 -8.497 1.00 1.47 H new ATOM 0 HZ3 LYS A 12 -11.521 -5.462 -7.412 1.00 1.47 H new ATOM 208 N LEU A 13 -15.172 -3.839 -3.191 1.00 0.48 N ATOM 209 CA LEU A 13 -15.162 -2.982 -2.012 1.00 0.48 C ATOM 210 C LEU A 13 -16.115 -3.513 -0.948 1.00 0.51 C ATOM 211 O LEU A 13 -15.894 -3.324 0.247 1.00 0.50 O ATOM 212 CB LEU A 13 -15.544 -1.553 -2.397 1.00 0.60 C ATOM 213 CG LEU A 13 -14.545 -0.851 -3.318 1.00 0.61 C ATOM 214 CD1 LEU A 13 -15.125 0.455 -3.842 1.00 0.93 C ATOM 215 CD2 LEU A 13 -13.234 -0.602 -2.589 1.00 0.71 C ATOM 0 H LEU A 13 -15.384 -3.353 -4.062 1.00 0.48 H new ATOM 0 HA LEU A 13 -14.154 -2.980 -1.598 1.00 0.48 H new ATOM 0 HB2 LEU A 13 -16.518 -1.571 -2.886 1.00 0.60 H new ATOM 0 HB3 LEU A 13 -15.655 -0.963 -1.487 1.00 0.60 H new ATOM 0 HG LEU A 13 -14.346 -1.501 -4.170 1.00 0.61 H new ATOM 0 HD11 LEU A 13 -14.399 0.939 -4.495 1.00 0.93 H new ATOM 0 HD12 LEU A 13 -16.037 0.249 -4.402 1.00 0.93 H new ATOM 0 HD13 LEU A 13 -15.355 1.113 -3.004 1.00 0.93 H new ATOM 0 HD21 LEU A 13 -12.535 -0.102 -3.259 1.00 0.71 H new ATOM 0 HD22 LEU A 13 -13.416 0.028 -1.718 1.00 0.71 H new ATOM 0 HD23 LEU A 13 -12.811 -1.553 -2.267 1.00 0.71 H new ATOM 227 N LYS A 14 -17.181 -4.171 -1.390 1.00 0.61 N ATOM 228 CA LYS A 14 -18.162 -4.737 -0.472 1.00 0.72 C ATOM 229 C LYS A 14 -17.506 -5.740 0.473 1.00 0.73 C ATOM 230 O LYS A 14 -17.722 -5.701 1.684 1.00 0.79 O ATOM 231 CB LYS A 14 -19.287 -5.420 -1.254 1.00 0.82 C ATOM 232 CG LYS A 14 -20.584 -4.627 -1.279 1.00 0.86 C ATOM 233 CD LYS A 14 -21.790 -5.535 -1.448 1.00 1.29 C ATOM 234 CE LYS A 14 -22.763 -4.986 -2.477 1.00 1.57 C ATOM 235 NZ LYS A 14 -23.936 -5.882 -2.667 1.00 2.01 N ATOM 0 H LYS A 14 -17.388 -4.325 -2.377 1.00 0.61 H new ATOM 0 HA LYS A 14 -18.580 -3.924 0.121 1.00 0.72 H new ATOM 0 HB2 LYS A 14 -18.955 -5.588 -2.278 1.00 0.82 H new ATOM 0 HB3 LYS A 14 -19.479 -6.400 -0.816 1.00 0.82 H new ATOM 0 HG2 LYS A 14 -20.682 -4.059 -0.354 1.00 0.86 H new ATOM 0 HG3 LYS A 14 -20.554 -3.905 -2.095 1.00 0.86 H new ATOM 0 HD2 LYS A 14 -21.459 -6.528 -1.753 1.00 1.29 H new ATOM 0 HD3 LYS A 14 -22.298 -5.648 -0.490 1.00 1.29 H new ATOM 0 HE2 LYS A 14 -23.106 -4.001 -2.162 1.00 1.57 H new ATOM 0 HE3 LYS A 14 -22.249 -4.855 -3.429 1.00 1.57 H new ATOM 0 HZ1 LYS A 14 -24.575 -5.471 -3.377 1.00 2.01 H new ATOM 0 HZ2 LYS A 14 -23.611 -6.815 -2.992 1.00 2.01 H new ATOM 0 HZ3 LYS A 14 -24.442 -5.987 -1.765 1.00 2.01 H new ATOM 249 N GLU A 15 -16.703 -6.636 -0.093 1.00 0.72 N ATOM 250 CA GLU A 15 -16.021 -7.663 0.692 1.00 0.79 C ATOM 251 C GLU A 15 -14.783 -7.105 1.393 1.00 0.73 C ATOM 252 O GLU A 15 -14.539 -7.391 2.565 1.00 0.77 O ATOM 253 CB GLU A 15 -15.619 -8.832 -0.208 1.00 0.85 C ATOM 254 CG GLU A 15 -15.992 -10.193 0.355 1.00 1.40 C ATOM 255 CD GLU A 15 -14.876 -10.813 1.172 1.00 1.73 C ATOM 256 OE1 GLU A 15 -13.953 -11.399 0.569 1.00 2.35 O ATOM 257 OE2 GLU A 15 -14.925 -10.711 2.417 1.00 1.86 O ATOM 0 H GLU A 15 -16.508 -6.673 -1.093 1.00 0.72 H new ATOM 0 HA GLU A 15 -16.716 -8.011 1.456 1.00 0.79 H new ATOM 0 HB2 GLU A 15 -16.093 -8.709 -1.182 1.00 0.85 H new ATOM 0 HB3 GLU A 15 -14.542 -8.799 -0.372 1.00 0.85 H new ATOM 0 HG2 GLU A 15 -16.881 -10.093 0.978 1.00 1.40 H new ATOM 0 HG3 GLU A 15 -16.252 -10.862 -0.465 1.00 1.40 H new ATOM 264 N LEU A 16 -13.997 -6.322 0.661 1.00 0.68 N ATOM 265 CA LEU A 16 -12.777 -5.731 1.200 1.00 0.64 C ATOM 266 C LEU A 16 -13.046 -4.362 1.822 1.00 0.55 C ATOM 267 O LEU A 16 -12.121 -3.569 1.991 1.00 0.51 O ATOM 268 CB LEU A 16 -11.713 -5.607 0.106 1.00 0.68 C ATOM 269 CG LEU A 16 -12.100 -4.717 -1.073 1.00 0.99 C ATOM 270 CD1 LEU A 16 -11.369 -3.385 -0.997 1.00 1.21 C ATOM 271 CD2 LEU A 16 -11.802 -5.416 -2.390 1.00 1.54 C ATOM 0 H LEU A 16 -14.185 -6.081 -0.312 1.00 0.68 H new ATOM 0 HA LEU A 16 -12.409 -6.393 1.984 1.00 0.64 H new ATOM 0 HB2 LEU A 16 -10.799 -5.216 0.552 1.00 0.68 H new ATOM 0 HB3 LEU A 16 -11.483 -6.604 -0.271 1.00 0.68 H new ATOM 0 HG LEU A 16 -13.172 -4.525 -1.022 1.00 0.99 H new ATOM 0 HD11 LEU A 16 -11.657 -2.763 -1.845 1.00 1.21 H new ATOM 0 HD12 LEU A 16 -11.633 -2.878 -0.069 1.00 1.21 H new ATOM 0 HD13 LEU A 16 -10.293 -3.558 -1.023 1.00 1.21 H new ATOM 0 HD21 LEU A 16 -12.084 -4.767 -3.219 1.00 1.54 H new ATOM 0 HD22 LEU A 16 -10.737 -5.639 -2.451 1.00 1.54 H new ATOM 0 HD23 LEU A 16 -12.371 -6.344 -2.446 1.00 1.54 H new ATOM 283 N SER A 17 -14.327 -4.064 2.083 1.00 0.55 N ATOM 284 CA SER A 17 -14.759 -2.774 2.642 1.00 0.51 C ATOM 285 C SER A 17 -13.693 -2.114 3.513 1.00 0.44 C ATOM 286 O SER A 17 -13.673 -2.290 4.730 1.00 0.47 O ATOM 287 CB SER A 17 -16.029 -2.969 3.474 1.00 0.57 C ATOM 288 OG SER A 17 -17.163 -3.147 2.643 1.00 0.72 O ATOM 0 H SER A 17 -15.095 -4.713 1.912 1.00 0.55 H new ATOM 0 HA SER A 17 -14.946 -2.114 1.795 1.00 0.51 H new ATOM 0 HB2 SER A 17 -15.912 -3.836 4.124 1.00 0.57 H new ATOM 0 HB3 SER A 17 -16.180 -2.104 4.120 1.00 0.57 H new ATOM 0 HG SER A 17 -16.885 -3.134 1.703 1.00 0.72 H new ATOM 294 N VAL A 18 -12.828 -1.330 2.879 1.00 0.41 N ATOM 295 CA VAL A 18 -11.774 -0.621 3.592 1.00 0.39 C ATOM 296 C VAL A 18 -12.363 0.349 4.615 1.00 0.41 C ATOM 297 O VAL A 18 -11.691 0.746 5.567 1.00 0.63 O ATOM 298 CB VAL A 18 -10.862 0.152 2.621 1.00 0.45 C ATOM 299 CG1 VAL A 18 -10.271 -0.791 1.584 1.00 0.52 C ATOM 300 CG2 VAL A 18 -11.629 1.281 1.949 1.00 1.10 C ATOM 0 H VAL A 18 -12.837 -1.170 1.872 1.00 0.41 H new ATOM 0 HA VAL A 18 -11.178 -1.371 4.112 1.00 0.39 H new ATOM 0 HB VAL A 18 -10.043 0.591 3.191 1.00 0.45 H new ATOM 0 HG11 VAL A 18 -9.629 -0.229 0.905 1.00 0.52 H new ATOM 0 HG12 VAL A 18 -9.684 -1.561 2.085 1.00 0.52 H new ATOM 0 HG13 VAL A 18 -11.076 -1.259 1.018 1.00 0.52 H new ATOM 0 HG21 VAL A 18 -10.967 1.815 1.267 1.00 1.10 H new ATOM 0 HG22 VAL A 18 -12.469 0.868 1.391 1.00 1.10 H new ATOM 0 HG23 VAL A 18 -12.001 1.970 2.707 1.00 1.10 H new ATOM 310 N GLU A 19 -13.628 0.710 4.422 1.00 0.44 N ATOM 311 CA GLU A 19 -14.319 1.621 5.326 1.00 0.47 C ATOM 312 C GLU A 19 -14.163 1.182 6.778 1.00 0.44 C ATOM 313 O GLU A 19 -14.272 1.994 7.697 1.00 0.53 O ATOM 314 CB GLU A 19 -15.804 1.677 4.968 1.00 0.51 C ATOM 315 CG GLU A 19 -16.447 0.304 4.860 1.00 0.50 C ATOM 316 CD GLU A 19 -17.585 0.115 5.845 1.00 0.81 C ATOM 317 OE1 GLU A 19 -18.260 1.114 6.172 1.00 1.39 O ATOM 318 OE2 GLU A 19 -17.800 -1.033 6.291 1.00 1.36 O ATOM 0 H GLU A 19 -14.198 0.382 3.642 1.00 0.44 H new ATOM 0 HA GLU A 19 -13.873 2.610 5.216 1.00 0.47 H new ATOM 0 HB2 GLU A 19 -16.331 2.259 5.724 1.00 0.51 H new ATOM 0 HB3 GLU A 19 -15.923 2.202 4.020 1.00 0.51 H new ATOM 0 HG2 GLU A 19 -16.821 0.160 3.846 1.00 0.50 H new ATOM 0 HG3 GLU A 19 -15.691 -0.462 5.032 1.00 0.50 H new ATOM 325 N LYS A 20 -13.938 -0.111 6.980 1.00 0.38 N ATOM 326 CA LYS A 20 -13.779 -0.656 8.326 1.00 0.38 C ATOM 327 C LYS A 20 -12.303 -0.799 8.703 1.00 0.34 C ATOM 328 O LYS A 20 -11.980 -1.103 9.852 1.00 0.39 O ATOM 329 CB LYS A 20 -14.492 -2.013 8.462 1.00 0.42 C ATOM 330 CG LYS A 20 -14.704 -2.757 7.152 1.00 0.51 C ATOM 331 CD LYS A 20 -15.573 -3.989 7.345 1.00 0.54 C ATOM 332 CE LYS A 20 -14.743 -5.263 7.339 1.00 1.69 C ATOM 333 NZ LYS A 20 -15.257 -6.269 8.309 1.00 2.00 N ATOM 0 H LYS A 20 -13.861 -0.801 6.233 1.00 0.38 H new ATOM 0 HA LYS A 20 -14.240 0.051 9.015 1.00 0.38 H new ATOM 0 HB2 LYS A 20 -13.912 -2.646 9.133 1.00 0.42 H new ATOM 0 HB3 LYS A 20 -15.462 -1.852 8.933 1.00 0.42 H new ATOM 0 HG2 LYS A 20 -15.171 -2.091 6.426 1.00 0.51 H new ATOM 0 HG3 LYS A 20 -13.739 -3.052 6.740 1.00 0.51 H new ATOM 0 HD2 LYS A 20 -16.113 -3.910 8.288 1.00 0.54 H new ATOM 0 HD3 LYS A 20 -16.320 -4.036 6.553 1.00 0.54 H new ATOM 0 HE2 LYS A 20 -14.745 -5.692 6.337 1.00 1.69 H new ATOM 0 HE3 LYS A 20 -13.708 -5.022 7.581 1.00 1.69 H new ATOM 0 HZ1 LYS A 20 -14.663 -7.122 8.273 1.00 2.00 H new ATOM 0 HZ2 LYS A 20 -15.232 -5.870 9.269 1.00 2.00 H new ATOM 0 HZ3 LYS A 20 -16.236 -6.519 8.064 1.00 2.00 H new ATOM 347 N TRP A 21 -11.408 -0.577 7.741 1.00 0.31 N ATOM 348 CA TRP A 21 -9.977 -0.675 7.994 1.00 0.32 C ATOM 349 C TRP A 21 -9.417 0.679 8.423 1.00 0.31 C ATOM 350 O TRP A 21 -9.929 1.723 8.021 1.00 0.39 O ATOM 351 CB TRP A 21 -9.241 -1.160 6.740 1.00 0.35 C ATOM 352 CG TRP A 21 -9.895 -2.320 6.048 1.00 0.33 C ATOM 353 CD1 TRP A 21 -11.020 -2.996 6.436 1.00 0.34 C ATOM 354 CD2 TRP A 21 -9.459 -2.940 4.831 1.00 0.35 C ATOM 355 NE1 TRP A 21 -11.305 -3.994 5.536 1.00 0.36 N ATOM 356 CE2 TRP A 21 -10.362 -3.980 4.543 1.00 0.37 C ATOM 357 CE3 TRP A 21 -8.390 -2.714 3.957 1.00 0.39 C ATOM 358 CZ2 TRP A 21 -10.227 -4.794 3.421 1.00 0.43 C ATOM 359 CZ3 TRP A 21 -8.258 -3.521 2.843 1.00 0.44 C ATOM 360 CH2 TRP A 21 -9.171 -4.549 2.582 1.00 0.46 C ATOM 0 H TRP A 21 -11.651 -0.329 6.782 1.00 0.31 H new ATOM 0 HA TRP A 21 -9.824 -1.396 8.797 1.00 0.32 H new ATOM 0 HB2 TRP A 21 -9.161 -0.331 6.037 1.00 0.35 H new ATOM 0 HB3 TRP A 21 -8.225 -1.443 7.016 1.00 0.35 H new ATOM 0 HD1 TRP A 21 -11.599 -2.777 7.321 1.00 0.34 H new ATOM 0 HE1 TRP A 21 -12.091 -4.641 5.597 1.00 0.36 H new ATOM 0 HE3 TRP A 21 -7.681 -1.923 4.150 1.00 0.39 H new ATOM 0 HZ2 TRP A 21 -10.929 -5.590 3.219 1.00 0.43 H new ATOM 0 HZ3 TRP A 21 -7.436 -3.356 2.162 1.00 0.44 H new ATOM 0 HH2 TRP A 21 -9.041 -5.162 1.702 1.00 0.46 H new ATOM 371 N PRO A 22 -8.347 0.684 9.237 1.00 0.34 N ATOM 372 CA PRO A 22 -7.713 1.925 9.690 1.00 0.39 C ATOM 373 C PRO A 22 -7.280 2.798 8.519 1.00 0.34 C ATOM 374 O PRO A 22 -7.351 2.379 7.363 1.00 0.48 O ATOM 375 CB PRO A 22 -6.487 1.450 10.482 1.00 0.51 C ATOM 376 CG PRO A 22 -6.294 0.023 10.091 1.00 0.42 C ATOM 377 CD PRO A 22 -7.659 -0.505 9.755 1.00 0.45 C ATOM 0 HA PRO A 22 -8.395 2.537 10.280 1.00 0.39 H new ATOM 0 HB2 PRO A 22 -5.607 2.046 10.240 1.00 0.51 H new ATOM 0 HB3 PRO A 22 -6.651 1.545 11.555 1.00 0.51 H new ATOM 0 HG2 PRO A 22 -5.623 -0.059 9.236 1.00 0.42 H new ATOM 0 HG3 PRO A 22 -5.845 -0.547 10.905 1.00 0.42 H new ATOM 0 HD2 PRO A 22 -7.613 -1.302 9.013 1.00 0.45 H new ATOM 0 HD3 PRO A 22 -8.162 -0.914 10.631 1.00 0.45 H new ATOM 385 N ILE A 23 -6.830 4.010 8.820 1.00 0.38 N ATOM 386 CA ILE A 23 -6.385 4.932 7.785 1.00 0.36 C ATOM 387 C ILE A 23 -5.044 5.559 8.148 1.00 0.31 C ATOM 388 O ILE A 23 -4.738 5.756 9.323 1.00 0.32 O ATOM 389 CB ILE A 23 -7.415 6.049 7.536 1.00 0.47 C ATOM 390 CG1 ILE A 23 -8.782 5.447 7.204 1.00 1.15 C ATOM 391 CG2 ILE A 23 -6.946 6.963 6.414 1.00 0.97 C ATOM 392 CD1 ILE A 23 -9.733 5.420 8.380 1.00 1.60 C ATOM 0 H ILE A 23 -6.764 4.376 9.770 1.00 0.38 H new ATOM 0 HA ILE A 23 -6.275 4.348 6.871 1.00 0.36 H new ATOM 0 HB ILE A 23 -7.511 6.643 8.445 1.00 0.47 H new ATOM 0 HG12 ILE A 23 -9.235 6.019 6.394 1.00 1.15 H new ATOM 0 HG13 ILE A 23 -8.643 4.430 6.837 1.00 1.15 H new ATOM 0 HG21 ILE A 23 -7.685 7.747 6.250 1.00 0.97 H new ATOM 0 HG22 ILE A 23 -5.992 7.415 6.687 1.00 0.97 H new ATOM 0 HG23 ILE A 23 -6.824 6.383 5.499 1.00 0.97 H new ATOM 0 HD11 ILE A 23 -10.681 4.980 8.071 1.00 1.60 H new ATOM 0 HD12 ILE A 23 -9.301 4.823 9.183 1.00 1.60 H new ATOM 0 HD13 ILE A 23 -9.903 6.437 8.734 1.00 1.60 H new ATOM 404 N TRP A 24 -4.243 5.856 7.131 1.00 0.31 N ATOM 405 CA TRP A 24 -2.924 6.439 7.345 1.00 0.31 C ATOM 406 C TRP A 24 -2.742 7.714 6.532 1.00 0.31 C ATOM 407 O TRP A 24 -2.940 7.718 5.320 1.00 0.44 O ATOM 408 CB TRP A 24 -1.840 5.432 6.963 1.00 0.38 C ATOM 409 CG TRP A 24 -0.640 5.487 7.857 1.00 0.38 C ATOM 410 CD1 TRP A 24 -0.619 5.339 9.213 1.00 0.47 C ATOM 411 CD2 TRP A 24 0.715 5.715 7.457 1.00 0.44 C ATOM 412 NE1 TRP A 24 0.666 5.457 9.682 1.00 0.55 N ATOM 413 CE2 TRP A 24 1.504 5.688 8.622 1.00 0.51 C ATOM 414 CE3 TRP A 24 1.339 5.938 6.226 1.00 0.55 C ATOM 415 CZ2 TRP A 24 2.884 5.875 8.592 1.00 0.61 C ATOM 416 CZ3 TRP A 24 2.709 6.123 6.198 1.00 0.66 C ATOM 417 CH2 TRP A 24 3.467 6.091 7.375 1.00 0.66 C ATOM 0 H TRP A 24 -4.483 5.703 6.152 1.00 0.31 H new ATOM 0 HA TRP A 24 -2.838 6.691 8.402 1.00 0.31 H new ATOM 0 HB2 TRP A 24 -2.261 4.427 6.992 1.00 0.38 H new ATOM 0 HB3 TRP A 24 -1.528 5.617 5.935 1.00 0.38 H new ATOM 0 HD1 TRP A 24 -1.487 5.156 9.828 1.00 0.47 H new ATOM 0 HE1 TRP A 24 0.950 5.385 10.659 1.00 0.55 H new ATOM 0 HE3 TRP A 24 0.762 5.965 5.314 1.00 0.55 H new ATOM 0 HZ2 TRP A 24 3.472 5.850 9.498 1.00 0.61 H new ATOM 0 HZ3 TRP A 24 3.203 6.295 5.253 1.00 0.66 H new ATOM 0 HH2 TRP A 24 4.535 6.240 7.320 1.00 0.66 H new ATOM 428 N GLU A 25 -2.319 8.781 7.200 1.00 0.34 N ATOM 429 CA GLU A 25 -2.075 10.055 6.533 1.00 0.36 C ATOM 430 C GLU A 25 -0.585 10.371 6.536 1.00 0.37 C ATOM 431 O GLU A 25 0.064 10.319 7.581 1.00 0.42 O ATOM 432 CB GLU A 25 -2.848 11.178 7.230 1.00 0.39 C ATOM 433 CG GLU A 25 -2.959 10.998 8.736 1.00 0.98 C ATOM 434 CD GLU A 25 -3.187 12.308 9.465 1.00 1.52 C ATOM 435 OE1 GLU A 25 -2.750 13.358 8.950 1.00 1.91 O ATOM 436 OE2 GLU A 25 -3.803 12.284 10.552 1.00 2.05 O ATOM 0 H GLU A 25 -2.138 8.789 8.204 1.00 0.34 H new ATOM 0 HA GLU A 25 -2.420 9.979 5.502 1.00 0.36 H new ATOM 0 HB2 GLU A 25 -2.358 12.129 7.021 1.00 0.39 H new ATOM 0 HB3 GLU A 25 -3.850 11.236 6.805 1.00 0.39 H new ATOM 0 HG2 GLU A 25 -3.780 10.316 8.957 1.00 0.98 H new ATOM 0 HG3 GLU A 25 -2.048 10.532 9.111 1.00 0.98 H new ATOM 443 N LYS A 26 -0.040 10.689 5.365 1.00 0.39 N ATOM 444 CA LYS A 26 1.387 10.965 5.258 1.00 0.44 C ATOM 445 C LYS A 26 1.701 12.028 4.209 1.00 0.40 C ATOM 446 O LYS A 26 1.296 11.920 3.051 1.00 0.44 O ATOM 447 CB LYS A 26 2.141 9.676 4.922 1.00 0.51 C ATOM 448 CG LYS A 26 3.644 9.864 4.800 1.00 0.58 C ATOM 449 CD LYS A 26 4.324 9.812 6.158 1.00 1.19 C ATOM 450 CE LYS A 26 5.614 10.616 6.165 1.00 1.62 C ATOM 451 NZ LYS A 26 5.593 11.691 7.195 1.00 2.39 N ATOM 0 H LYS A 26 -0.557 10.761 4.489 1.00 0.39 H new ATOM 0 HA LYS A 26 1.712 11.353 6.223 1.00 0.44 H new ATOM 0 HB2 LYS A 26 1.938 8.934 5.694 1.00 0.51 H new ATOM 0 HB3 LYS A 26 1.756 9.274 3.985 1.00 0.51 H new ATOM 0 HG2 LYS A 26 4.057 9.089 4.155 1.00 0.58 H new ATOM 0 HG3 LYS A 26 3.854 10.821 4.323 1.00 0.58 H new ATOM 0 HD2 LYS A 26 3.648 10.200 6.920 1.00 1.19 H new ATOM 0 HD3 LYS A 26 4.538 8.776 6.420 1.00 1.19 H new ATOM 0 HE2 LYS A 26 6.456 9.950 6.353 1.00 1.62 H new ATOM 0 HE3 LYS A 26 5.771 11.059 5.181 1.00 1.62 H new ATOM 0 HZ1 LYS A 26 6.410 12.320 7.058 1.00 2.39 H new ATOM 0 HZ2 LYS A 26 4.715 12.240 7.105 1.00 2.39 H new ATOM 0 HZ3 LYS A 26 5.640 11.265 8.143 1.00 2.39 H new ATOM 465 N GLU A 27 2.464 13.036 4.624 1.00 0.49 N ATOM 466 CA GLU A 27 2.921 14.091 3.725 1.00 0.49 C ATOM 467 C GLU A 27 3.932 13.529 2.748 1.00 0.44 C ATOM 468 O GLU A 27 4.467 12.448 2.973 1.00 0.77 O ATOM 469 CB GLU A 27 3.534 15.247 4.518 1.00 0.72 C ATOM 470 CG GLU A 27 4.480 14.796 5.619 1.00 1.25 C ATOM 471 CD GLU A 27 3.968 15.138 7.005 1.00 1.93 C ATOM 472 OE1 GLU A 27 2.734 15.210 7.180 1.00 2.64 O ATOM 473 OE2 GLU A 27 4.802 15.335 7.914 1.00 2.20 O ATOM 0 H GLU A 27 2.781 13.144 5.587 1.00 0.49 H new ATOM 0 HA GLU A 27 2.065 14.475 3.171 1.00 0.49 H new ATOM 0 HB2 GLU A 27 4.073 15.901 3.833 1.00 0.72 H new ATOM 0 HB3 GLU A 27 2.732 15.839 4.959 1.00 0.72 H new ATOM 0 HG2 GLU A 27 4.629 13.719 5.546 1.00 1.25 H new ATOM 0 HG3 GLU A 27 5.454 15.263 5.470 1.00 1.25 H new ATOM 480 N VAL A 28 4.109 14.229 1.629 1.00 0.34 N ATOM 481 CA VAL A 28 4.991 13.797 0.536 1.00 0.26 C ATOM 482 C VAL A 28 6.458 13.543 0.966 1.00 0.28 C ATOM 483 O VAL A 28 7.388 14.113 0.396 1.00 0.43 O ATOM 484 CB VAL A 28 4.959 14.846 -0.593 1.00 0.29 C ATOM 485 CG1 VAL A 28 3.527 15.235 -0.909 1.00 0.37 C ATOM 486 CG2 VAL A 28 5.770 16.079 -0.230 1.00 1.00 C ATOM 0 H VAL A 28 3.643 15.119 1.450 1.00 0.34 H new ATOM 0 HA VAL A 28 4.605 12.837 0.194 1.00 0.26 H new ATOM 0 HB VAL A 28 5.411 14.397 -1.478 1.00 0.29 H new ATOM 0 HG11 VAL A 28 3.519 15.976 -1.708 1.00 0.37 H new ATOM 0 HG12 VAL A 28 2.972 14.353 -1.227 1.00 0.37 H new ATOM 0 HG13 VAL A 28 3.059 15.656 -0.019 1.00 0.37 H new ATOM 0 HG21 VAL A 28 5.726 16.798 -1.048 1.00 1.00 H new ATOM 0 HG22 VAL A 28 5.360 16.531 0.673 1.00 1.00 H new ATOM 0 HG23 VAL A 28 6.807 15.793 -0.054 1.00 1.00 H new ATOM 496 N SER A 29 6.658 12.725 1.993 1.00 0.29 N ATOM 497 CA SER A 29 7.998 12.393 2.468 1.00 0.40 C ATOM 498 C SER A 29 8.499 11.093 1.851 1.00 0.35 C ATOM 499 O SER A 29 7.902 10.565 0.913 1.00 0.35 O ATOM 500 CB SER A 29 8.000 12.278 3.993 1.00 0.56 C ATOM 501 OG SER A 29 7.272 13.339 4.587 1.00 1.09 O ATOM 0 H SER A 29 5.905 12.277 2.516 1.00 0.29 H new ATOM 0 HA SER A 29 8.670 13.195 2.163 1.00 0.40 H new ATOM 0 HB2 SER A 29 7.564 11.324 4.289 1.00 0.56 H new ATOM 0 HB3 SER A 29 9.026 12.287 4.360 1.00 0.56 H new ATOM 0 HG SER A 29 7.287 13.241 5.562 1.00 1.09 H new ATOM 507 N GLU A 30 9.574 10.558 2.424 1.00 0.42 N ATOM 508 CA GLU A 30 10.111 9.272 1.999 1.00 0.41 C ATOM 509 C GLU A 30 10.854 8.603 3.151 1.00 0.50 C ATOM 510 O GLU A 30 11.783 9.177 3.721 1.00 0.70 O ATOM 511 CB GLU A 30 11.047 9.455 0.800 1.00 0.61 C ATOM 512 CG GLU A 30 10.638 10.589 -0.128 1.00 0.76 C ATOM 513 CD GLU A 30 11.566 10.735 -1.318 1.00 1.14 C ATOM 514 OE1 GLU A 30 12.576 11.461 -1.198 1.00 1.70 O ATOM 515 OE2 GLU A 30 11.284 10.123 -2.369 1.00 1.60 O ATOM 0 H GLU A 30 10.090 10.998 3.186 1.00 0.42 H new ATOM 0 HA GLU A 30 9.282 8.631 1.699 1.00 0.41 H new ATOM 0 HB2 GLU A 30 12.057 9.642 1.164 1.00 0.61 H new ATOM 0 HB3 GLU A 30 11.080 8.526 0.231 1.00 0.61 H new ATOM 0 HG2 GLU A 30 9.623 10.414 -0.484 1.00 0.76 H new ATOM 0 HG3 GLU A 30 10.623 11.524 0.432 1.00 0.76 H new ATOM 522 N PHE A 31 10.437 7.387 3.490 1.00 0.46 N ATOM 523 CA PHE A 31 11.053 6.638 4.582 1.00 0.63 C ATOM 524 C PHE A 31 11.475 5.241 4.139 1.00 0.58 C ATOM 525 O PHE A 31 10.825 4.628 3.292 1.00 0.48 O ATOM 526 CB PHE A 31 10.089 6.540 5.770 1.00 0.83 C ATOM 527 CG PHE A 31 8.642 6.455 5.373 1.00 0.84 C ATOM 528 CD1 PHE A 31 7.893 7.607 5.192 1.00 0.79 C ATOM 529 CD2 PHE A 31 8.032 5.225 5.183 1.00 1.70 C ATOM 530 CE1 PHE A 31 6.563 7.534 4.827 1.00 1.49 C ATOM 531 CE2 PHE A 31 6.701 5.146 4.818 1.00 2.52 C ATOM 532 CZ PHE A 31 5.966 6.302 4.640 1.00 2.40 C ATOM 0 H PHE A 31 9.673 6.898 3.023 1.00 0.46 H new ATOM 0 HA PHE A 31 11.949 7.179 4.887 1.00 0.63 H new ATOM 0 HB2 PHE A 31 10.346 5.662 6.362 1.00 0.83 H new ATOM 0 HB3 PHE A 31 10.229 7.410 6.412 1.00 0.83 H new ATOM 0 HD1 PHE A 31 8.354 8.572 5.338 1.00 0.79 H new ATOM 0 HD2 PHE A 31 8.603 4.319 5.322 1.00 1.70 H new ATOM 0 HE1 PHE A 31 5.990 8.439 4.688 1.00 1.49 H new ATOM 0 HE2 PHE A 31 6.236 4.182 4.672 1.00 2.52 H new ATOM 0 HZ PHE A 31 4.926 6.243 4.355 1.00 2.40 H new ATOM 542 N ASP A 32 12.542 4.724 4.744 1.00 0.73 N ATOM 543 CA ASP A 32 12.995 3.367 4.460 1.00 0.74 C ATOM 544 C ASP A 32 12.128 2.372 5.228 1.00 0.90 C ATOM 545 O ASP A 32 11.766 2.619 6.378 1.00 1.42 O ATOM 546 CB ASP A 32 14.465 3.195 4.846 1.00 1.06 C ATOM 547 CG ASP A 32 14.765 3.715 6.238 1.00 2.02 C ATOM 548 OD1 ASP A 32 13.947 3.471 7.151 1.00 2.36 O ATOM 549 OD2 ASP A 32 15.814 4.369 6.416 1.00 2.89 O ATOM 0 H ASP A 32 13.106 5.223 5.431 1.00 0.73 H new ATOM 0 HA ASP A 32 12.902 3.180 3.390 1.00 0.74 H new ATOM 0 HB2 ASP A 32 14.730 2.139 4.791 1.00 1.06 H new ATOM 0 HB3 ASP A 32 15.091 3.719 4.123 1.00 1.06 H new ATOM 554 N TRP A 33 11.767 1.264 4.586 1.00 0.63 N ATOM 555 CA TRP A 33 10.885 0.289 5.218 1.00 0.93 C ATOM 556 C TRP A 33 11.411 -1.140 5.101 1.00 0.61 C ATOM 557 O TRP A 33 11.887 -1.561 4.047 1.00 0.45 O ATOM 558 CB TRP A 33 9.489 0.375 4.597 1.00 1.36 C ATOM 559 CG TRP A 33 8.403 -0.131 5.495 1.00 1.58 C ATOM 560 CD1 TRP A 33 8.075 0.345 6.732 1.00 2.21 C ATOM 561 CD2 TRP A 33 7.494 -1.204 5.223 1.00 1.38 C ATOM 562 NE1 TRP A 33 7.021 -0.370 7.247 1.00 2.32 N ATOM 563 CE2 TRP A 33 6.647 -1.326 6.340 1.00 1.76 C ATOM 564 CE3 TRP A 33 7.316 -2.075 4.143 1.00 1.34 C ATOM 565 CZ2 TRP A 33 5.637 -2.282 6.408 1.00 1.72 C ATOM 566 CZ3 TRP A 33 6.314 -3.024 4.213 1.00 1.52 C ATOM 567 CH2 TRP A 33 5.486 -3.122 5.338 1.00 1.51 C ATOM 0 H TRP A 33 12.067 1.021 3.642 1.00 0.63 H new ATOM 0 HA TRP A 33 10.842 0.534 6.279 1.00 0.93 H new ATOM 0 HB2 TRP A 33 9.280 1.412 4.336 1.00 1.36 H new ATOM 0 HB3 TRP A 33 9.477 -0.196 3.669 1.00 1.36 H new ATOM 0 HD1 TRP A 33 8.571 1.163 7.232 1.00 2.21 H new ATOM 0 HE1 TRP A 33 6.587 -0.214 8.157 1.00 2.32 H new ATOM 0 HE3 TRP A 33 7.950 -2.007 3.271 1.00 1.34 H new ATOM 0 HZ2 TRP A 33 4.996 -2.358 7.274 1.00 1.72 H new ATOM 0 HZ3 TRP A 33 6.167 -3.702 3.385 1.00 1.52 H new ATOM 0 HH2 TRP A 33 4.713 -3.876 5.362 1.00 1.51 H new ATOM 578 N TYR A 34 11.281 -1.886 6.196 1.00 0.69 N ATOM 579 CA TYR A 34 11.673 -3.290 6.241 1.00 0.52 C ATOM 580 C TYR A 34 10.559 -4.108 6.887 1.00 0.54 C ATOM 581 O TYR A 34 10.242 -3.917 8.060 1.00 0.68 O ATOM 582 CB TYR A 34 12.974 -3.464 7.025 1.00 0.70 C ATOM 583 CG TYR A 34 13.348 -4.908 7.269 1.00 0.67 C ATOM 584 CD1 TYR A 34 12.658 -5.675 8.200 1.00 0.78 C ATOM 585 CD2 TYR A 34 14.390 -5.507 6.570 1.00 0.86 C ATOM 586 CE1 TYR A 34 12.995 -6.996 8.427 1.00 0.87 C ATOM 587 CE2 TYR A 34 14.733 -6.827 6.792 1.00 0.98 C ATOM 588 CZ TYR A 34 14.040 -7.566 7.713 1.00 0.88 C ATOM 589 OH TYR A 34 14.370 -8.882 7.943 1.00 1.07 O ATOM 0 H TYR A 34 10.902 -1.534 7.075 1.00 0.69 H new ATOM 0 HA TYR A 34 11.840 -3.642 5.223 1.00 0.52 H new ATOM 0 HB2 TYR A 34 13.783 -2.975 6.482 1.00 0.70 H new ATOM 0 HB3 TYR A 34 12.881 -2.955 7.984 1.00 0.70 H new ATOM 0 HD1 TYR A 34 11.845 -5.231 8.755 1.00 0.78 H new ATOM 0 HD2 TYR A 34 14.941 -4.931 5.841 1.00 0.86 H new ATOM 0 HE1 TYR A 34 12.450 -7.580 9.154 1.00 0.87 H new ATOM 0 HE2 TYR A 34 15.546 -7.275 6.240 1.00 0.98 H new ATOM 0 HH TYR A 34 15.121 -9.137 7.367 1.00 1.07 H new ATOM 599 N TYR A 35 9.942 -4.991 6.110 1.00 0.46 N ATOM 600 CA TYR A 35 8.808 -5.765 6.598 1.00 0.52 C ATOM 601 C TYR A 35 9.213 -7.164 7.054 1.00 0.55 C ATOM 602 O TYR A 35 10.309 -7.639 6.758 1.00 0.73 O ATOM 603 CB TYR A 35 7.748 -5.863 5.498 1.00 0.51 C ATOM 604 CG TYR A 35 6.331 -6.071 5.988 1.00 0.79 C ATOM 605 CD1 TYR A 35 5.918 -5.664 7.257 1.00 1.33 C ATOM 606 CD2 TYR A 35 5.393 -6.660 5.157 1.00 1.06 C ATOM 607 CE1 TYR A 35 4.620 -5.867 7.681 1.00 1.67 C ATOM 608 CE2 TYR A 35 4.092 -6.851 5.569 1.00 1.31 C ATOM 609 CZ TYR A 35 3.711 -6.462 6.836 1.00 1.50 C ATOM 610 OH TYR A 35 2.417 -6.664 7.259 1.00 1.87 O ATOM 0 H TYR A 35 10.206 -5.188 5.145 1.00 0.46 H new ATOM 0 HA TYR A 35 8.403 -5.247 7.468 1.00 0.52 H new ATOM 0 HB2 TYR A 35 7.780 -4.951 4.902 1.00 0.51 H new ATOM 0 HB3 TYR A 35 8.011 -6.687 4.834 1.00 0.51 H new ATOM 0 HD1 TYR A 35 6.624 -5.183 7.917 1.00 1.33 H new ATOM 0 HD2 TYR A 35 5.687 -6.976 4.167 1.00 1.06 H new ATOM 0 HE1 TYR A 35 4.319 -5.560 8.672 1.00 1.67 H new ATOM 0 HE2 TYR A 35 3.373 -7.304 4.902 1.00 1.31 H new ATOM 0 HH TYR A 35 2.286 -6.232 8.129 1.00 1.87 H new ATOM 620 N ASP A 36 8.300 -7.819 7.772 1.00 0.56 N ATOM 621 CA ASP A 36 8.528 -9.165 8.282 1.00 0.68 C ATOM 622 C ASP A 36 7.207 -9.932 8.383 1.00 0.67 C ATOM 623 O ASP A 36 7.040 -10.786 9.253 1.00 0.88 O ATOM 624 CB ASP A 36 9.200 -9.101 9.655 1.00 0.85 C ATOM 625 CG ASP A 36 8.326 -8.429 10.696 1.00 1.30 C ATOM 626 OD1 ASP A 36 7.222 -8.948 10.968 1.00 1.59 O ATOM 627 OD2 ASP A 36 8.744 -7.384 11.239 1.00 2.12 O ATOM 0 H ASP A 36 7.388 -7.432 8.014 1.00 0.56 H new ATOM 0 HA ASP A 36 9.184 -9.690 7.588 1.00 0.68 H new ATOM 0 HB2 ASP A 36 9.442 -10.111 9.985 1.00 0.85 H new ATOM 0 HB3 ASP A 36 10.142 -8.559 9.571 1.00 0.85 H new ATOM 632 N THR A 37 6.267 -9.614 7.489 1.00 0.64 N ATOM 633 CA THR A 37 4.955 -10.265 7.487 1.00 0.64 C ATOM 634 C THR A 37 4.198 -9.978 6.189 1.00 0.66 C ATOM 635 O THR A 37 4.745 -9.392 5.257 1.00 0.92 O ATOM 636 CB THR A 37 4.129 -9.779 8.683 1.00 0.72 C ATOM 637 OG1 THR A 37 4.974 -9.365 9.743 1.00 1.70 O ATOM 638 CG2 THR A 37 3.183 -10.825 9.232 1.00 1.49 C ATOM 0 H THR A 37 6.390 -8.912 6.759 1.00 0.64 H new ATOM 0 HA THR A 37 5.111 -11.341 7.563 1.00 0.64 H new ATOM 0 HB THR A 37 3.537 -8.948 8.300 1.00 0.72 H new ATOM 0 HG1 THR A 37 5.644 -10.059 9.917 1.00 1.70 H new ATOM 0 HG21 THR A 37 2.632 -10.410 10.076 1.00 1.49 H new ATOM 0 HG22 THR A 37 2.482 -11.126 8.454 1.00 1.49 H new ATOM 0 HG23 THR A 37 3.753 -11.693 9.562 1.00 1.49 H new ATOM 646 N ASN A 38 2.943 -10.419 6.126 1.00 0.52 N ATOM 647 CA ASN A 38 2.102 -10.182 4.954 1.00 0.56 C ATOM 648 C ASN A 38 1.317 -8.882 5.115 1.00 0.65 C ATOM 649 O ASN A 38 0.669 -8.665 6.138 1.00 0.82 O ATOM 650 CB ASN A 38 1.140 -11.353 4.746 1.00 0.59 C ATOM 651 CG ASN A 38 1.851 -12.692 4.746 1.00 1.06 C ATOM 652 OD1 ASN A 38 2.054 -13.300 5.796 1.00 2.08 O ATOM 653 ND2 ASN A 38 2.234 -13.158 3.562 1.00 1.04 N ATOM 0 H ASN A 38 2.486 -10.942 6.873 1.00 0.52 H new ATOM 0 HA ASN A 38 2.746 -10.095 4.079 1.00 0.56 H new ATOM 0 HB2 ASN A 38 0.386 -11.345 5.533 1.00 0.59 H new ATOM 0 HB3 ASN A 38 0.614 -11.224 3.800 1.00 0.59 H new ATOM 0 HD21 ASN A 38 2.717 -14.054 3.499 1.00 1.04 H new ATOM 0 HD22 ASN A 38 2.045 -12.620 2.717 1.00 1.04 H new ATOM 660 N GLU A 39 1.378 -8.018 4.106 1.00 0.59 N ATOM 661 CA GLU A 39 0.683 -6.733 4.169 1.00 0.69 C ATOM 662 C GLU A 39 -0.114 -6.455 2.892 1.00 0.54 C ATOM 663 O GLU A 39 0.319 -6.770 1.788 1.00 0.60 O ATOM 664 CB GLU A 39 1.693 -5.598 4.438 1.00 0.94 C ATOM 665 CG GLU A 39 1.234 -4.208 4.004 1.00 0.81 C ATOM 666 CD GLU A 39 2.233 -3.125 4.360 1.00 1.14 C ATOM 667 OE1 GLU A 39 2.377 -2.822 5.563 1.00 1.36 O ATOM 668 OE2 GLU A 39 2.874 -2.581 3.436 1.00 1.45 O ATOM 0 H GLU A 39 1.896 -8.180 3.242 1.00 0.59 H new ATOM 0 HA GLU A 39 -0.030 -6.778 4.992 1.00 0.69 H new ATOM 0 HB2 GLU A 39 1.914 -5.574 5.505 1.00 0.94 H new ATOM 0 HB3 GLU A 39 2.625 -5.833 3.925 1.00 0.94 H new ATOM 0 HG2 GLU A 39 1.069 -4.204 2.927 1.00 0.81 H new ATOM 0 HG3 GLU A 39 0.277 -3.983 4.474 1.00 0.81 H new ATOM 675 N THR A 40 -1.275 -5.840 3.072 1.00 0.43 N ATOM 676 CA THR A 40 -2.124 -5.421 1.963 1.00 0.35 C ATOM 677 C THR A 40 -2.713 -4.056 2.292 1.00 0.36 C ATOM 678 O THR A 40 -3.225 -3.857 3.392 1.00 0.41 O ATOM 679 CB THR A 40 -3.240 -6.439 1.720 1.00 0.31 C ATOM 680 OG1 THR A 40 -2.707 -7.658 1.230 1.00 0.40 O ATOM 681 CG2 THR A 40 -4.283 -5.964 0.733 1.00 0.40 C ATOM 0 H THR A 40 -1.656 -5.617 3.992 1.00 0.43 H new ATOM 0 HA THR A 40 -1.529 -5.358 1.052 1.00 0.35 H new ATOM 0 HB THR A 40 -3.720 -6.577 2.689 1.00 0.31 H new ATOM 0 HG1 THR A 40 -3.435 -8.297 1.082 1.00 0.40 H new ATOM 0 HG21 THR A 40 -5.044 -6.735 0.608 1.00 0.40 H new ATOM 0 HG22 THR A 40 -4.748 -5.052 1.106 1.00 0.40 H new ATOM 0 HG23 THR A 40 -3.810 -5.763 -0.228 1.00 0.40 H new ATOM 689 N CYS A 41 -2.570 -3.084 1.394 1.00 0.34 N ATOM 690 CA CYS A 41 -3.071 -1.743 1.693 1.00 0.33 C ATOM 691 C CYS A 41 -3.900 -1.189 0.549 1.00 0.30 C ATOM 692 O CYS A 41 -3.777 -1.632 -0.586 1.00 0.31 O ATOM 693 CB CYS A 41 -1.928 -0.773 2.030 1.00 0.36 C ATOM 694 SG CYS A 41 -0.370 -1.556 2.525 1.00 0.63 S ATOM 0 H CYS A 41 -2.127 -3.191 0.482 1.00 0.34 H new ATOM 0 HA CYS A 41 -3.712 -1.837 2.570 1.00 0.33 H new ATOM 0 HB2 CYS A 41 -1.739 -0.143 1.160 1.00 0.36 H new ATOM 0 HB3 CYS A 41 -2.257 -0.115 2.834 1.00 0.36 H new ATOM 0 HG CYS A 41 0.205 -2.077 1.482 1.00 0.63 H new ATOM 700 N TYR A 42 -4.737 -0.207 0.865 1.00 0.27 N ATOM 701 CA TYR A 42 -5.613 0.413 -0.121 1.00 0.26 C ATOM 702 C TYR A 42 -5.407 1.927 -0.152 1.00 0.24 C ATOM 703 O TYR A 42 -5.557 2.602 0.866 1.00 0.26 O ATOM 704 CB TYR A 42 -7.072 0.072 0.214 1.00 0.26 C ATOM 705 CG TYR A 42 -8.100 0.962 -0.450 1.00 0.27 C ATOM 706 CD1 TYR A 42 -8.321 0.891 -1.819 1.00 0.39 C ATOM 707 CD2 TYR A 42 -8.847 1.871 0.289 1.00 0.28 C ATOM 708 CE1 TYR A 42 -9.256 1.700 -2.434 1.00 0.43 C ATOM 709 CE2 TYR A 42 -9.785 2.685 -0.319 1.00 0.36 C ATOM 710 CZ TYR A 42 -9.994 2.599 -1.662 1.00 0.39 C ATOM 711 OH TYR A 42 -10.919 3.403 -2.289 1.00 0.47 O ATOM 0 H TYR A 42 -4.827 0.179 1.805 1.00 0.27 H new ATOM 0 HA TYR A 42 -5.370 0.025 -1.110 1.00 0.26 H new ATOM 0 HB2 TYR A 42 -7.265 -0.961 -0.076 1.00 0.26 H new ATOM 0 HB3 TYR A 42 -7.205 0.130 1.294 1.00 0.26 H new ATOM 0 HD1 TYR A 42 -7.752 0.191 -2.413 1.00 0.39 H new ATOM 0 HD2 TYR A 42 -8.693 1.943 1.355 1.00 0.28 H new ATOM 0 HE1 TYR A 42 -9.415 1.638 -3.500 1.00 0.43 H new ATOM 0 HE2 TYR A 42 -10.352 3.389 0.271 1.00 0.36 H new ATOM 0 HH TYR A 42 -11.357 3.976 -1.626 1.00 0.47 H new ATOM 721 N ILE A 43 -5.082 2.456 -1.328 1.00 0.23 N ATOM 722 CA ILE A 43 -4.866 3.891 -1.485 1.00 0.24 C ATOM 723 C ILE A 43 -6.178 4.622 -1.745 1.00 0.27 C ATOM 724 O ILE A 43 -7.030 4.145 -2.495 1.00 0.35 O ATOM 725 CB ILE A 43 -3.895 4.198 -2.640 1.00 0.25 C ATOM 726 CG1 ILE A 43 -2.572 3.452 -2.441 1.00 0.26 C ATOM 727 CG2 ILE A 43 -3.661 5.700 -2.755 1.00 0.29 C ATOM 728 CD1 ILE A 43 -1.650 4.093 -1.425 1.00 1.07 C ATOM 0 H ILE A 43 -4.963 1.914 -2.184 1.00 0.23 H new ATOM 0 HA ILE A 43 -4.431 4.241 -0.549 1.00 0.24 H new ATOM 0 HB ILE A 43 -4.343 3.852 -3.572 1.00 0.25 H new ATOM 0 HG12 ILE A 43 -2.786 2.430 -2.128 1.00 0.26 H new ATOM 0 HG13 ILE A 43 -2.054 3.390 -3.398 1.00 0.26 H new ATOM 0 HG21 ILE A 43 -2.972 5.899 -3.576 1.00 0.29 H new ATOM 0 HG22 ILE A 43 -4.609 6.202 -2.947 1.00 0.29 H new ATOM 0 HG23 ILE A 43 -3.234 6.074 -1.825 1.00 0.29 H new ATOM 0 HD11 ILE A 43 -0.736 3.506 -1.342 1.00 1.07 H new ATOM 0 HD12 ILE A 43 -1.403 5.105 -1.745 1.00 1.07 H new ATOM 0 HD13 ILE A 43 -2.147 4.130 -0.455 1.00 1.07 H new ATOM 740 N LEU A 44 -6.321 5.794 -1.139 1.00 0.26 N ATOM 741 CA LEU A 44 -7.517 6.609 -1.316 1.00 0.29 C ATOM 742 C LEU A 44 -7.184 7.906 -2.046 1.00 0.26 C ATOM 743 O LEU A 44 -8.020 8.465 -2.756 1.00 0.35 O ATOM 744 CB LEU A 44 -8.151 6.918 0.041 1.00 0.37 C ATOM 745 CG LEU A 44 -9.292 7.938 0.008 1.00 0.41 C ATOM 746 CD1 LEU A 44 -10.590 7.270 -0.418 1.00 0.90 C ATOM 747 CD2 LEU A 44 -9.451 8.603 1.367 1.00 0.69 C ATOM 0 H LEU A 44 -5.622 6.203 -0.519 1.00 0.26 H new ATOM 0 HA LEU A 44 -8.229 6.046 -1.920 1.00 0.29 H new ATOM 0 HB2 LEU A 44 -8.527 5.989 0.469 1.00 0.37 H new ATOM 0 HB3 LEU A 44 -7.375 7.286 0.712 1.00 0.37 H new ATOM 0 HG LEU A 44 -9.047 8.708 -0.723 1.00 0.41 H new ATOM 0 HD11 LEU A 44 -11.391 8.009 -0.436 1.00 0.90 H new ATOM 0 HD12 LEU A 44 -10.469 6.841 -1.413 1.00 0.90 H new ATOM 0 HD13 LEU A 44 -10.842 6.480 0.289 1.00 0.90 H new ATOM 0 HD21 LEU A 44 -10.266 9.325 1.326 1.00 0.69 H new ATOM 0 HD22 LEU A 44 -9.675 7.846 2.119 1.00 0.69 H new ATOM 0 HD23 LEU A 44 -8.526 9.115 1.632 1.00 0.69 H new ATOM 759 N GLU A 45 -5.952 8.374 -1.872 1.00 0.22 N ATOM 760 CA GLU A 45 -5.491 9.598 -2.513 1.00 0.23 C ATOM 761 C GLU A 45 -4.034 9.861 -2.161 1.00 0.23 C ATOM 762 O GLU A 45 -3.720 10.301 -1.055 1.00 0.38 O ATOM 763 CB GLU A 45 -6.359 10.786 -2.093 1.00 0.29 C ATOM 764 CG GLU A 45 -6.257 11.121 -0.615 1.00 0.52 C ATOM 765 CD GLU A 45 -7.401 11.992 -0.134 1.00 0.80 C ATOM 766 OE1 GLU A 45 -8.209 12.431 -0.979 1.00 1.44 O ATOM 767 OE2 GLU A 45 -7.488 12.236 1.088 1.00 1.12 O ATOM 0 H GLU A 45 -5.251 7.919 -1.287 1.00 0.22 H new ATOM 0 HA GLU A 45 -5.575 9.474 -3.593 1.00 0.23 H new ATOM 0 HB2 GLU A 45 -6.070 11.660 -2.676 1.00 0.29 H new ATOM 0 HB3 GLU A 45 -7.399 10.570 -2.337 1.00 0.29 H new ATOM 0 HG2 GLU A 45 -6.241 10.197 -0.037 1.00 0.52 H new ATOM 0 HG3 GLU A 45 -5.313 11.631 -0.426 1.00 0.52 H new ATOM 774 N GLY A 46 -3.145 9.559 -3.097 1.00 0.18 N ATOM 775 CA GLY A 46 -1.731 9.743 -2.865 1.00 0.21 C ATOM 776 C GLY A 46 -0.897 9.007 -3.888 1.00 0.19 C ATOM 777 O GLY A 46 -1.371 8.064 -4.519 1.00 0.25 O ATOM 0 H GLY A 46 -3.382 9.188 -4.017 1.00 0.18 H new ATOM 0 HA2 GLY A 46 -1.492 10.806 -2.897 1.00 0.21 H new ATOM 0 HA3 GLY A 46 -1.477 9.389 -1.866 1.00 0.21 H new ATOM 781 N LYS A 47 0.337 9.447 -4.068 1.00 0.23 N ATOM 782 CA LYS A 47 1.228 8.829 -5.031 1.00 0.29 C ATOM 783 C LYS A 47 2.459 8.272 -4.341 1.00 0.25 C ATOM 784 O LYS A 47 3.207 9.004 -3.693 1.00 0.24 O ATOM 785 CB LYS A 47 1.639 9.842 -6.093 1.00 0.41 C ATOM 786 CG LYS A 47 1.431 9.344 -7.510 1.00 0.57 C ATOM 787 CD LYS A 47 2.539 9.821 -8.430 1.00 1.12 C ATOM 788 CE LYS A 47 3.592 8.742 -8.632 1.00 0.50 C ATOM 789 NZ LYS A 47 4.572 9.112 -9.691 1.00 1.10 N ATOM 0 H LYS A 47 0.744 10.231 -3.558 1.00 0.23 H new ATOM 0 HA LYS A 47 0.698 8.006 -5.511 1.00 0.29 H new ATOM 0 HB2 LYS A 47 1.068 10.759 -5.950 1.00 0.41 H new ATOM 0 HB3 LYS A 47 2.690 10.096 -5.955 1.00 0.41 H new ATOM 0 HG2 LYS A 47 1.396 8.255 -7.513 1.00 0.57 H new ATOM 0 HG3 LYS A 47 0.469 9.695 -7.884 1.00 0.57 H new ATOM 0 HD2 LYS A 47 2.117 10.105 -9.394 1.00 1.12 H new ATOM 0 HD3 LYS A 47 3.005 10.713 -8.010 1.00 1.12 H new ATOM 0 HE2 LYS A 47 4.119 8.570 -7.694 1.00 0.50 H new ATOM 0 HE3 LYS A 47 3.104 7.805 -8.900 1.00 0.50 H new ATOM 0 HZ1 LYS A 47 5.501 8.706 -9.461 1.00 1.10 H new ATOM 0 HZ2 LYS A 47 4.249 8.741 -10.607 1.00 1.10 H new ATOM 0 HZ3 LYS A 47 4.650 10.148 -9.745 1.00 1.10 H new ATOM 803 N VAL A 48 2.672 6.974 -4.496 1.00 0.31 N ATOM 804 CA VAL A 48 3.797 6.317 -3.854 1.00 0.32 C ATOM 805 C VAL A 48 4.626 5.516 -4.858 1.00 0.30 C ATOM 806 O VAL A 48 4.093 4.899 -5.780 1.00 0.34 O ATOM 807 CB VAL A 48 3.303 5.403 -2.698 1.00 0.39 C ATOM 808 CG1 VAL A 48 4.316 4.315 -2.336 1.00 0.52 C ATOM 809 CG2 VAL A 48 2.978 6.240 -1.474 1.00 0.64 C ATOM 0 H VAL A 48 2.083 6.359 -5.058 1.00 0.31 H new ATOM 0 HA VAL A 48 4.442 7.091 -3.438 1.00 0.32 H new ATOM 0 HB VAL A 48 2.403 4.899 -3.050 1.00 0.39 H new ATOM 0 HG11 VAL A 48 3.921 3.706 -1.523 1.00 0.52 H new ATOM 0 HG12 VAL A 48 4.500 3.685 -3.206 1.00 0.52 H new ATOM 0 HG13 VAL A 48 5.251 4.779 -2.020 1.00 0.52 H new ATOM 0 HG21 VAL A 48 2.633 5.590 -0.670 1.00 0.64 H new ATOM 0 HG22 VAL A 48 3.872 6.774 -1.151 1.00 0.64 H new ATOM 0 HG23 VAL A 48 2.196 6.958 -1.721 1.00 0.64 H new ATOM 819 N GLU A 49 5.935 5.512 -4.635 1.00 0.31 N ATOM 820 CA GLU A 49 6.858 4.743 -5.455 1.00 0.30 C ATOM 821 C GLU A 49 7.626 3.766 -4.574 1.00 0.30 C ATOM 822 O GLU A 49 8.444 4.173 -3.749 1.00 0.36 O ATOM 823 CB GLU A 49 7.827 5.674 -6.186 1.00 0.36 C ATOM 824 CG GLU A 49 7.135 6.738 -7.021 1.00 0.38 C ATOM 825 CD GLU A 49 8.063 7.373 -8.040 1.00 0.51 C ATOM 826 OE1 GLU A 49 9.027 8.049 -7.625 1.00 0.96 O ATOM 827 OE2 GLU A 49 7.821 7.197 -9.253 1.00 0.75 O ATOM 0 H GLU A 49 6.383 6.039 -3.885 1.00 0.31 H new ATOM 0 HA GLU A 49 6.293 4.186 -6.202 1.00 0.30 H new ATOM 0 HB2 GLU A 49 8.472 6.161 -5.454 1.00 0.36 H new ATOM 0 HB3 GLU A 49 8.472 5.079 -6.833 1.00 0.36 H new ATOM 0 HG2 GLU A 49 6.284 6.293 -7.537 1.00 0.38 H new ATOM 0 HG3 GLU A 49 6.740 7.512 -6.363 1.00 0.38 H new ATOM 834 N VAL A 50 7.348 2.479 -4.738 1.00 0.26 N ATOM 835 CA VAL A 50 7.970 1.455 -3.909 1.00 0.28 C ATOM 836 C VAL A 50 9.106 0.747 -4.637 1.00 0.26 C ATOM 837 O VAL A 50 8.973 0.370 -5.800 1.00 0.21 O ATOM 838 CB VAL A 50 6.932 0.406 -3.456 1.00 0.29 C ATOM 839 CG1 VAL A 50 7.589 -0.700 -2.641 1.00 0.35 C ATOM 840 CG2 VAL A 50 5.817 1.069 -2.662 1.00 0.33 C ATOM 0 H VAL A 50 6.697 2.120 -5.436 1.00 0.26 H new ATOM 0 HA VAL A 50 8.379 1.966 -3.037 1.00 0.28 H new ATOM 0 HB VAL A 50 6.499 -0.048 -4.347 1.00 0.29 H new ATOM 0 HG11 VAL A 50 6.834 -1.424 -2.336 1.00 0.35 H new ATOM 0 HG12 VAL A 50 8.346 -1.198 -3.247 1.00 0.35 H new ATOM 0 HG13 VAL A 50 8.058 -0.270 -1.756 1.00 0.35 H new ATOM 0 HG21 VAL A 50 5.094 0.315 -2.351 1.00 0.33 H new ATOM 0 HG22 VAL A 50 6.237 1.555 -1.781 1.00 0.33 H new ATOM 0 HG23 VAL A 50 5.320 1.813 -3.284 1.00 0.33 H new ATOM 850 N THR A 51 10.218 0.569 -3.934 1.00 0.32 N ATOM 851 CA THR A 51 11.369 -0.143 -4.475 1.00 0.33 C ATOM 852 C THR A 51 11.792 -1.252 -3.517 1.00 0.37 C ATOM 853 O THR A 51 12.213 -0.981 -2.391 1.00 0.44 O ATOM 854 CB THR A 51 12.533 0.819 -4.714 1.00 0.40 C ATOM 855 OG1 THR A 51 12.103 1.953 -5.448 1.00 0.49 O ATOM 856 CG2 THR A 51 13.683 0.191 -5.469 1.00 0.42 C ATOM 0 H THR A 51 10.347 0.911 -2.982 1.00 0.32 H new ATOM 0 HA THR A 51 11.087 -0.586 -5.430 1.00 0.33 H new ATOM 0 HB THR A 51 12.884 1.101 -3.721 1.00 0.40 H new ATOM 0 HG1 THR A 51 12.861 2.558 -5.590 1.00 0.49 H new ATOM 0 HG21 THR A 51 14.475 0.928 -5.605 1.00 0.42 H new ATOM 0 HG22 THR A 51 14.069 -0.657 -4.904 1.00 0.42 H new ATOM 0 HG23 THR A 51 13.335 -0.151 -6.444 1.00 0.42 H new ATOM 864 N THR A 52 11.670 -2.497 -3.961 1.00 0.33 N ATOM 865 CA THR A 52 12.014 -3.640 -3.121 1.00 0.39 C ATOM 866 C THR A 52 13.502 -3.963 -3.203 1.00 0.42 C ATOM 867 O THR A 52 14.232 -3.384 -4.007 1.00 0.42 O ATOM 868 CB THR A 52 11.190 -4.863 -3.529 1.00 0.37 C ATOM 869 OG1 THR A 52 11.766 -5.503 -4.654 1.00 0.39 O ATOM 870 CG2 THR A 52 9.755 -4.529 -3.870 1.00 0.36 C ATOM 0 H THR A 52 11.337 -2.741 -4.894 1.00 0.33 H new ATOM 0 HA THR A 52 11.782 -3.377 -2.089 1.00 0.39 H new ATOM 0 HB THR A 52 11.194 -5.520 -2.659 1.00 0.37 H new ATOM 0 HG1 THR A 52 11.441 -6.426 -4.708 1.00 0.39 H new ATOM 0 HG21 THR A 52 9.226 -5.440 -4.151 1.00 0.36 H new ATOM 0 HG22 THR A 52 9.270 -4.080 -3.003 1.00 0.36 H new ATOM 0 HG23 THR A 52 9.733 -3.826 -4.702 1.00 0.36 H new ATOM 878 N GLU A 53 13.942 -4.891 -2.358 1.00 0.59 N ATOM 879 CA GLU A 53 15.343 -5.293 -2.320 1.00 0.65 C ATOM 880 C GLU A 53 15.702 -6.148 -3.530 1.00 0.55 C ATOM 881 O GLU A 53 16.658 -5.853 -4.249 1.00 0.52 O ATOM 882 CB GLU A 53 15.633 -6.068 -1.032 1.00 0.79 C ATOM 883 CG GLU A 53 17.113 -6.163 -0.699 1.00 1.21 C ATOM 884 CD GLU A 53 17.519 -7.553 -0.245 1.00 2.08 C ATOM 885 OE1 GLU A 53 17.835 -8.391 -1.115 1.00 2.77 O ATOM 886 OE2 GLU A 53 17.521 -7.800 0.979 1.00 2.47 O ATOM 0 H GLU A 53 13.346 -5.379 -1.689 1.00 0.59 H new ATOM 0 HA GLU A 53 15.954 -4.391 -2.345 1.00 0.65 H new ATOM 0 HB2 GLU A 53 15.113 -5.587 -0.204 1.00 0.79 H new ATOM 0 HB3 GLU A 53 15.224 -7.074 -1.124 1.00 0.79 H new ATOM 0 HG2 GLU A 53 17.698 -5.886 -1.576 1.00 1.21 H new ATOM 0 HG3 GLU A 53 17.353 -5.444 0.084 1.00 1.21 H new ATOM 893 N ASP A 54 14.929 -7.208 -3.753 1.00 0.52 N ATOM 894 CA ASP A 54 15.168 -8.110 -4.877 1.00 0.46 C ATOM 895 C ASP A 54 15.387 -7.331 -6.169 1.00 0.38 C ATOM 896 O ASP A 54 16.074 -7.797 -7.079 1.00 0.39 O ATOM 897 CB ASP A 54 13.990 -9.072 -5.044 1.00 0.49 C ATOM 898 CG ASP A 54 13.861 -10.037 -3.882 1.00 1.10 C ATOM 899 OD1 ASP A 54 14.702 -10.956 -3.777 1.00 1.43 O ATOM 900 OD2 ASP A 54 12.921 -9.875 -3.077 1.00 1.88 O ATOM 0 H ASP A 54 14.132 -7.464 -3.170 1.00 0.52 H new ATOM 0 HA ASP A 54 16.071 -8.681 -4.663 1.00 0.46 H new ATOM 0 HB2 ASP A 54 13.068 -8.499 -5.141 1.00 0.49 H new ATOM 0 HB3 ASP A 54 14.113 -9.636 -5.969 1.00 0.49 H new ATOM 905 N GLY A 55 14.803 -6.140 -6.241 1.00 0.35 N ATOM 906 CA GLY A 55 14.950 -5.313 -7.424 1.00 0.33 C ATOM 907 C GLY A 55 13.625 -5.023 -8.101 1.00 0.31 C ATOM 908 O GLY A 55 13.585 -4.705 -9.289 1.00 0.40 O ATOM 0 H GLY A 55 14.231 -5.733 -5.501 1.00 0.35 H new ATOM 0 HA2 GLY A 55 15.426 -4.372 -7.148 1.00 0.33 H new ATOM 0 HA3 GLY A 55 15.614 -5.811 -8.131 1.00 0.33 H new ATOM 912 N LYS A 56 12.536 -5.133 -7.346 1.00 0.26 N ATOM 913 CA LYS A 56 11.207 -4.878 -7.884 1.00 0.25 C ATOM 914 C LYS A 56 10.788 -3.434 -7.635 1.00 0.24 C ATOM 915 O LYS A 56 11.505 -2.672 -6.987 1.00 0.26 O ATOM 916 CB LYS A 56 10.188 -5.834 -7.259 1.00 0.26 C ATOM 917 CG LYS A 56 10.631 -7.287 -7.273 1.00 0.37 C ATOM 918 CD LYS A 56 10.617 -7.859 -8.681 1.00 0.81 C ATOM 919 CE LYS A 56 11.025 -9.324 -8.695 1.00 0.86 C ATOM 920 NZ LYS A 56 9.846 -10.228 -8.789 1.00 1.72 N ATOM 0 H LYS A 56 12.549 -5.397 -6.361 1.00 0.26 H new ATOM 0 HA LYS A 56 11.239 -5.047 -8.960 1.00 0.25 H new ATOM 0 HB2 LYS A 56 10.000 -5.530 -6.229 1.00 0.26 H new ATOM 0 HB3 LYS A 56 9.243 -5.746 -7.795 1.00 0.26 H new ATOM 0 HG2 LYS A 56 11.635 -7.367 -6.857 1.00 0.37 H new ATOM 0 HG3 LYS A 56 9.973 -7.875 -6.633 1.00 0.37 H new ATOM 0 HD2 LYS A 56 9.619 -7.755 -9.107 1.00 0.81 H new ATOM 0 HD3 LYS A 56 11.295 -7.286 -9.314 1.00 0.81 H new ATOM 0 HE2 LYS A 56 11.691 -9.507 -9.538 1.00 0.86 H new ATOM 0 HE3 LYS A 56 11.587 -9.553 -7.789 1.00 0.86 H new ATOM 0 HZ1 LYS A 56 10.167 -11.217 -8.796 1.00 1.72 H new ATOM 0 HZ2 LYS A 56 9.223 -10.072 -7.971 1.00 1.72 H new ATOM 0 HZ3 LYS A 56 9.324 -10.027 -9.666 1.00 1.72 H new ATOM 934 N LYS A 57 9.630 -3.061 -8.167 1.00 0.24 N ATOM 935 CA LYS A 57 9.108 -1.713 -7.999 1.00 0.23 C ATOM 936 C LYS A 57 7.594 -1.697 -8.163 1.00 0.26 C ATOM 937 O LYS A 57 7.047 -2.404 -9.009 1.00 0.36 O ATOM 938 CB LYS A 57 9.753 -0.760 -9.009 1.00 0.29 C ATOM 939 CG LYS A 57 10.332 0.494 -8.375 1.00 0.54 C ATOM 940 CD LYS A 57 11.196 1.268 -9.358 1.00 0.73 C ATOM 941 CE LYS A 57 12.515 0.559 -9.615 1.00 0.67 C ATOM 942 NZ LYS A 57 13.681 1.458 -9.395 1.00 1.32 N ATOM 0 H LYS A 57 9.034 -3.677 -8.720 1.00 0.24 H new ATOM 0 HA LYS A 57 9.353 -1.378 -6.991 1.00 0.23 H new ATOM 0 HB2 LYS A 57 10.545 -1.288 -9.540 1.00 0.29 H new ATOM 0 HB3 LYS A 57 9.009 -0.472 -9.751 1.00 0.29 H new ATOM 0 HG2 LYS A 57 9.522 1.131 -8.021 1.00 0.54 H new ATOM 0 HG3 LYS A 57 10.927 0.221 -7.503 1.00 0.54 H new ATOM 0 HD2 LYS A 57 10.658 1.392 -10.298 1.00 0.73 H new ATOM 0 HD3 LYS A 57 11.388 2.267 -8.967 1.00 0.73 H new ATOM 0 HE2 LYS A 57 12.595 -0.307 -8.958 1.00 0.67 H new ATOM 0 HE3 LYS A 57 12.533 0.185 -10.639 1.00 0.67 H new ATOM 0 HZ1 LYS A 57 14.561 0.936 -9.581 1.00 1.32 H new ATOM 0 HZ2 LYS A 57 13.618 2.272 -10.039 1.00 1.32 H new ATOM 0 HZ3 LYS A 57 13.679 1.795 -8.411 1.00 1.32 H new ATOM 956 N TYR A 58 6.917 -0.894 -7.349 1.00 0.23 N ATOM 957 CA TYR A 58 5.463 -0.811 -7.406 1.00 0.28 C ATOM 958 C TYR A 58 4.977 0.625 -7.258 1.00 0.23 C ATOM 959 O TYR A 58 5.148 1.245 -6.208 1.00 0.23 O ATOM 960 CB TYR A 58 4.835 -1.674 -6.310 1.00 0.37 C ATOM 961 CG TYR A 58 5.607 -2.936 -6.006 1.00 0.39 C ATOM 962 CD1 TYR A 58 5.761 -3.926 -6.966 1.00 0.43 C ATOM 963 CD2 TYR A 58 6.188 -3.132 -4.759 1.00 0.40 C ATOM 964 CE1 TYR A 58 6.470 -5.080 -6.693 1.00 0.47 C ATOM 965 CE2 TYR A 58 6.896 -4.284 -4.477 1.00 0.44 C ATOM 966 CZ TYR A 58 7.023 -5.262 -5.442 1.00 0.46 C ATOM 967 OH TYR A 58 7.744 -6.400 -5.169 1.00 0.51 O ATOM 0 H TYR A 58 7.349 -0.295 -6.646 1.00 0.23 H new ATOM 0 HA TYR A 58 5.155 -1.180 -8.384 1.00 0.28 H new ATOM 0 HB2 TYR A 58 4.752 -1.082 -5.398 1.00 0.37 H new ATOM 0 HB3 TYR A 58 3.822 -1.943 -6.609 1.00 0.37 H new ATOM 0 HD1 TYR A 58 5.319 -3.792 -7.943 1.00 0.43 H new ATOM 0 HD2 TYR A 58 6.084 -2.372 -3.999 1.00 0.40 H new ATOM 0 HE1 TYR A 58 6.591 -5.836 -7.455 1.00 0.47 H new ATOM 0 HE2 TYR A 58 7.348 -4.419 -3.505 1.00 0.44 H new ATOM 0 HH TYR A 58 7.972 -6.852 -6.008 1.00 0.51 H new ATOM 977 N VAL A 59 4.335 1.134 -8.303 1.00 0.27 N ATOM 978 CA VAL A 59 3.770 2.475 -8.269 1.00 0.26 C ATOM 979 C VAL A 59 2.251 2.403 -8.194 1.00 0.28 C ATOM 980 O VAL A 59 1.598 1.907 -9.113 1.00 0.37 O ATOM 981 CB VAL A 59 4.183 3.299 -9.505 1.00 0.37 C ATOM 982 CG1 VAL A 59 3.743 2.605 -10.785 1.00 0.47 C ATOM 983 CG2 VAL A 59 3.608 4.704 -9.426 1.00 1.24 C ATOM 0 H VAL A 59 4.193 0.638 -9.183 1.00 0.27 H new ATOM 0 HA VAL A 59 4.161 2.972 -7.381 1.00 0.26 H new ATOM 0 HB VAL A 59 5.270 3.376 -9.519 1.00 0.37 H new ATOM 0 HG11 VAL A 59 4.044 3.203 -11.645 1.00 0.47 H new ATOM 0 HG12 VAL A 59 4.210 1.622 -10.845 1.00 0.47 H new ATOM 0 HG13 VAL A 59 2.659 2.492 -10.783 1.00 0.47 H new ATOM 0 HG21 VAL A 59 3.910 5.271 -10.307 1.00 1.24 H new ATOM 0 HG22 VAL A 59 2.520 4.650 -9.385 1.00 1.24 H new ATOM 0 HG23 VAL A 59 3.981 5.200 -8.530 1.00 1.24 H new ATOM 993 N ILE A 60 1.692 2.880 -7.087 1.00 0.27 N ATOM 994 CA ILE A 60 0.250 2.832 -6.879 1.00 0.33 C ATOM 995 C ILE A 60 -0.279 4.163 -6.362 1.00 0.29 C ATOM 996 O ILE A 60 0.175 4.669 -5.336 1.00 0.40 O ATOM 997 CB ILE A 60 -0.129 1.716 -5.889 1.00 0.42 C ATOM 998 CG1 ILE A 60 0.630 1.886 -4.571 1.00 0.43 C ATOM 999 CG2 ILE A 60 0.172 0.358 -6.497 1.00 0.52 C ATOM 1000 CD1 ILE A 60 -0.251 1.770 -3.348 1.00 0.94 C ATOM 0 H ILE A 60 2.215 3.304 -6.321 1.00 0.27 H new ATOM 0 HA ILE A 60 -0.206 2.622 -7.847 1.00 0.33 H new ATOM 0 HB ILE A 60 -1.197 1.782 -5.682 1.00 0.42 H new ATOM 0 HG12 ILE A 60 1.417 1.134 -4.515 1.00 0.43 H new ATOM 0 HG13 ILE A 60 1.119 2.860 -4.566 1.00 0.43 H new ATOM 0 HG21 ILE A 60 -0.099 -0.426 -5.790 1.00 0.52 H new ATOM 0 HG22 ILE A 60 -0.404 0.234 -7.414 1.00 0.52 H new ATOM 0 HG23 ILE A 60 1.236 0.289 -6.725 1.00 0.52 H new ATOM 0 HD11 ILE A 60 0.353 1.901 -2.450 1.00 0.94 H new ATOM 0 HD12 ILE A 60 -1.023 2.539 -3.381 1.00 0.94 H new ATOM 0 HD13 ILE A 60 -0.720 0.786 -3.329 1.00 0.94 H new ATOM 1012 N GLU A 61 -1.233 4.737 -7.088 1.00 0.26 N ATOM 1013 CA GLU A 61 -1.811 6.016 -6.702 1.00 0.24 C ATOM 1014 C GLU A 61 -3.320 6.032 -6.889 1.00 0.23 C ATOM 1015 O GLU A 61 -3.839 5.584 -7.909 1.00 0.41 O ATOM 1016 CB GLU A 61 -1.178 7.147 -7.511 1.00 0.39 C ATOM 1017 CG GLU A 61 -1.684 8.527 -7.123 1.00 0.41 C ATOM 1018 CD GLU A 61 -2.051 9.373 -8.326 1.00 0.47 C ATOM 1019 OE1 GLU A 61 -1.514 9.111 -9.423 1.00 0.57 O ATOM 1020 OE2 GLU A 61 -2.877 10.297 -8.172 1.00 0.79 O ATOM 0 H GLU A 61 -1.620 4.338 -7.943 1.00 0.26 H new ATOM 0 HA GLU A 61 -1.602 6.164 -5.642 1.00 0.24 H new ATOM 0 HB2 GLU A 61 -0.096 7.115 -7.380 1.00 0.39 H new ATOM 0 HB3 GLU A 61 -1.376 6.981 -8.570 1.00 0.39 H new ATOM 0 HG2 GLU A 61 -2.556 8.422 -6.478 1.00 0.41 H new ATOM 0 HG3 GLU A 61 -0.918 9.041 -6.542 1.00 0.41 H new ATOM 1027 N LYS A 62 -4.007 6.581 -5.896 1.00 0.19 N ATOM 1028 CA LYS A 62 -5.457 6.724 -5.934 1.00 0.25 C ATOM 1029 C LYS A 62 -6.173 5.417 -6.268 1.00 0.28 C ATOM 1030 O LYS A 62 -6.099 4.920 -7.393 1.00 0.41 O ATOM 1031 CB LYS A 62 -5.856 7.797 -6.948 1.00 0.40 C ATOM 1032 CG LYS A 62 -6.946 8.734 -6.450 1.00 0.50 C ATOM 1033 CD LYS A 62 -8.043 7.984 -5.709 1.00 0.57 C ATOM 1034 CE LYS A 62 -9.203 8.899 -5.363 1.00 0.97 C ATOM 1035 NZ LYS A 62 -10.350 8.149 -4.778 1.00 0.82 N ATOM 0 H LYS A 62 -3.577 6.939 -5.043 1.00 0.19 H new ATOM 0 HA LYS A 62 -5.768 7.019 -4.932 1.00 0.25 H new ATOM 0 HB2 LYS A 62 -4.975 8.384 -7.208 1.00 0.40 H new ATOM 0 HB3 LYS A 62 -6.197 7.311 -7.863 1.00 0.40 H new ATOM 0 HG2 LYS A 62 -6.508 9.482 -5.790 1.00 0.50 H new ATOM 0 HG3 LYS A 62 -7.379 9.269 -7.295 1.00 0.50 H new ATOM 0 HD2 LYS A 62 -8.400 7.158 -6.324 1.00 0.57 H new ATOM 0 HD3 LYS A 62 -7.636 7.549 -4.796 1.00 0.57 H new ATOM 0 HE2 LYS A 62 -8.868 9.658 -4.656 1.00 0.97 H new ATOM 0 HE3 LYS A 62 -9.532 9.423 -6.261 1.00 0.97 H new ATOM 0 HZ1 LYS A 62 -11.121 8.811 -4.556 1.00 0.82 H new ATOM 0 HZ2 LYS A 62 -10.687 7.442 -5.462 1.00 0.82 H new ATOM 0 HZ3 LYS A 62 -10.044 7.670 -3.907 1.00 0.82 H new ATOM 1049 N GLY A 63 -6.931 4.914 -5.302 1.00 0.30 N ATOM 1050 CA GLY A 63 -7.721 3.712 -5.512 1.00 0.39 C ATOM 1051 C GLY A 63 -6.908 2.534 -6.005 1.00 0.39 C ATOM 1052 O GLY A 63 -7.264 1.896 -6.996 1.00 0.68 O ATOM 0 H GLY A 63 -7.014 5.319 -4.370 1.00 0.30 H new ATOM 0 HA2 GLY A 63 -8.210 3.440 -4.577 1.00 0.39 H new ATOM 0 HA3 GLY A 63 -8.510 3.926 -6.233 1.00 0.39 H new ATOM 1056 N ASP A 64 -5.836 2.222 -5.291 1.00 0.33 N ATOM 1057 CA ASP A 64 -4.983 1.094 -5.645 1.00 0.35 C ATOM 1058 C ASP A 64 -4.612 0.291 -4.404 1.00 0.32 C ATOM 1059 O ASP A 64 -4.322 0.860 -3.351 1.00 0.49 O ATOM 1060 CB ASP A 64 -3.711 1.583 -6.342 1.00 0.41 C ATOM 1061 CG ASP A 64 -3.980 2.144 -7.724 1.00 1.12 C ATOM 1062 OD1 ASP A 64 -5.148 2.473 -8.017 1.00 2.00 O ATOM 1063 OD2 ASP A 64 -3.019 2.255 -8.515 1.00 1.51 O ATOM 0 H ASP A 64 -5.535 2.734 -4.462 1.00 0.33 H new ATOM 0 HA ASP A 64 -5.538 0.451 -6.328 1.00 0.35 H new ATOM 0 HB2 ASP A 64 -3.238 2.350 -5.729 1.00 0.41 H new ATOM 0 HB3 ASP A 64 -3.004 0.757 -6.421 1.00 0.41 H new ATOM 1068 N LEU A 65 -4.627 -1.031 -4.528 1.00 0.29 N ATOM 1069 CA LEU A 65 -4.268 -1.900 -3.414 1.00 0.26 C ATOM 1070 C LEU A 65 -3.307 -2.991 -3.868 1.00 0.24 C ATOM 1071 O LEU A 65 -3.418 -3.506 -4.980 1.00 0.27 O ATOM 1072 CB LEU A 65 -5.524 -2.503 -2.760 1.00 0.31 C ATOM 1073 CG LEU A 65 -5.979 -3.870 -3.284 1.00 0.53 C ATOM 1074 CD1 LEU A 65 -7.261 -4.299 -2.589 1.00 0.47 C ATOM 1075 CD2 LEU A 65 -6.173 -3.839 -4.789 1.00 0.37 C ATOM 0 H LEU A 65 -4.883 -1.523 -5.384 1.00 0.29 H new ATOM 0 HA LEU A 65 -3.759 -1.296 -2.662 1.00 0.26 H new ATOM 0 HB2 LEU A 65 -5.342 -2.592 -1.689 1.00 0.31 H new ATOM 0 HB3 LEU A 65 -6.346 -1.798 -2.886 1.00 0.31 H new ATOM 0 HG LEU A 65 -5.199 -4.598 -3.061 1.00 0.53 H new ATOM 0 HD11 LEU A 65 -7.574 -5.271 -2.970 1.00 0.47 H new ATOM 0 HD12 LEU A 65 -7.087 -4.369 -1.515 1.00 0.47 H new ATOM 0 HD13 LEU A 65 -8.043 -3.565 -2.783 1.00 0.47 H new ATOM 0 HD21 LEU A 65 -6.496 -4.821 -5.135 1.00 0.37 H new ATOM 0 HD22 LEU A 65 -6.931 -3.098 -5.043 1.00 0.37 H new ATOM 0 HD23 LEU A 65 -5.232 -3.576 -5.272 1.00 0.37 H new ATOM 1087 N VAL A 66 -2.330 -3.303 -3.025 1.00 0.22 N ATOM 1088 CA VAL A 66 -1.337 -4.303 -3.372 1.00 0.24 C ATOM 1089 C VAL A 66 -0.968 -5.199 -2.192 1.00 0.22 C ATOM 1090 O VAL A 66 -1.022 -4.781 -1.035 1.00 0.24 O ATOM 1091 CB VAL A 66 -0.069 -3.647 -3.951 1.00 0.29 C ATOM 1092 CG1 VAL A 66 -0.441 -2.560 -4.944 1.00 0.30 C ATOM 1093 CG2 VAL A 66 0.831 -3.080 -2.872 1.00 0.54 C ATOM 0 H VAL A 66 -2.207 -2.880 -2.105 1.00 0.22 H new ATOM 0 HA VAL A 66 -1.793 -4.935 -4.134 1.00 0.24 H new ATOM 0 HB VAL A 66 0.490 -4.430 -4.463 1.00 0.29 H new ATOM 0 HG11 VAL A 66 0.466 -2.107 -5.344 1.00 0.30 H new ATOM 0 HG12 VAL A 66 -1.019 -2.995 -5.759 1.00 0.30 H new ATOM 0 HG13 VAL A 66 -1.037 -1.798 -4.443 1.00 0.30 H new ATOM 0 HG21 VAL A 66 1.710 -2.629 -3.332 1.00 0.54 H new ATOM 0 HG22 VAL A 66 0.288 -2.322 -2.306 1.00 0.54 H new ATOM 0 HG23 VAL A 66 1.143 -3.880 -2.201 1.00 0.54 H new ATOM 1103 N THR A 67 -0.571 -6.428 -2.503 1.00 0.24 N ATOM 1104 CA THR A 67 -0.139 -7.375 -1.487 1.00 0.24 C ATOM 1105 C THR A 67 1.335 -7.159 -1.157 1.00 0.27 C ATOM 1106 O THR A 67 2.062 -6.513 -1.913 1.00 0.32 O ATOM 1107 CB THR A 67 -0.365 -8.810 -1.967 1.00 0.22 C ATOM 1108 OG1 THR A 67 -1.750 -9.095 -2.051 1.00 0.29 O ATOM 1109 CG2 THR A 67 0.263 -9.858 -1.072 1.00 0.25 C ATOM 0 H THR A 67 -0.540 -6.791 -3.456 1.00 0.24 H new ATOM 0 HA THR A 67 -0.729 -7.210 -0.586 1.00 0.24 H new ATOM 0 HB THR A 67 0.115 -8.862 -2.944 1.00 0.22 H new ATOM 0 HG1 THR A 67 -2.029 -9.601 -1.259 1.00 0.29 H new ATOM 0 HG21 THR A 67 0.061 -10.850 -1.476 1.00 0.25 H new ATOM 0 HG22 THR A 67 1.340 -9.698 -1.025 1.00 0.25 H new ATOM 0 HG23 THR A 67 -0.159 -9.781 -0.070 1.00 0.25 H new ATOM 1117 N PHE A 68 1.766 -7.694 -0.024 1.00 0.31 N ATOM 1118 CA PHE A 68 3.147 -7.553 0.411 1.00 0.39 C ATOM 1119 C PHE A 68 3.623 -8.825 1.114 1.00 0.37 C ATOM 1120 O PHE A 68 2.909 -9.384 1.946 1.00 0.40 O ATOM 1121 CB PHE A 68 3.280 -6.353 1.349 1.00 0.55 C ATOM 1122 CG PHE A 68 3.139 -5.025 0.657 1.00 0.49 C ATOM 1123 CD1 PHE A 68 4.239 -4.408 0.081 1.00 0.53 C ATOM 1124 CD2 PHE A 68 1.907 -4.397 0.577 1.00 0.62 C ATOM 1125 CE1 PHE A 68 4.111 -3.191 -0.561 1.00 0.55 C ATOM 1126 CE2 PHE A 68 1.774 -3.179 -0.061 1.00 0.67 C ATOM 1127 CZ PHE A 68 2.881 -2.565 -0.612 1.00 0.57 C ATOM 0 H PHE A 68 1.177 -8.231 0.612 1.00 0.31 H new ATOM 0 HA PHE A 68 3.772 -7.390 -0.467 1.00 0.39 H new ATOM 0 HB2 PHE A 68 2.523 -6.428 2.130 1.00 0.55 H new ATOM 0 HB3 PHE A 68 4.251 -6.394 1.842 1.00 0.55 H new ATOM 0 HD1 PHE A 68 5.207 -4.884 0.135 1.00 0.53 H new ATOM 0 HD2 PHE A 68 1.040 -4.865 1.019 1.00 0.62 H new ATOM 0 HE1 PHE A 68 4.972 -2.730 -1.022 1.00 0.55 H new ATOM 0 HE2 PHE A 68 0.805 -2.707 -0.129 1.00 0.67 H new ATOM 0 HZ PHE A 68 2.785 -1.597 -1.082 1.00 0.57 H new ATOM 1137 N PRO A 69 4.838 -9.296 0.792 1.00 0.39 N ATOM 1138 CA PRO A 69 5.388 -10.522 1.367 1.00 0.43 C ATOM 1139 C PRO A 69 6.159 -10.291 2.661 1.00 0.48 C ATOM 1140 O PRO A 69 6.696 -9.208 2.894 1.00 0.63 O ATOM 1141 CB PRO A 69 6.340 -10.990 0.274 1.00 0.50 C ATOM 1142 CG PRO A 69 6.861 -9.727 -0.324 1.00 0.50 C ATOM 1143 CD PRO A 69 5.752 -8.709 -0.208 1.00 0.43 C ATOM 0 HA PRO A 69 4.605 -11.230 1.639 1.00 0.43 H new ATOM 0 HB2 PRO A 69 7.146 -11.599 0.682 1.00 0.50 H new ATOM 0 HB3 PRO A 69 5.825 -11.599 -0.469 1.00 0.50 H new ATOM 0 HG2 PRO A 69 7.755 -9.389 0.201 1.00 0.50 H new ATOM 0 HG3 PRO A 69 7.142 -9.878 -1.366 1.00 0.50 H new ATOM 0 HD2 PRO A 69 6.131 -7.740 0.117 1.00 0.43 H new ATOM 0 HD3 PRO A 69 5.252 -8.552 -1.164 1.00 0.43 H new ATOM 1151 N LYS A 70 6.243 -11.334 3.481 1.00 0.44 N ATOM 1152 CA LYS A 70 6.996 -11.273 4.726 1.00 0.49 C ATOM 1153 C LYS A 70 8.478 -11.086 4.428 1.00 0.51 C ATOM 1154 O LYS A 70 9.042 -11.764 3.569 1.00 0.69 O ATOM 1155 CB LYS A 70 6.769 -12.550 5.546 1.00 0.61 C ATOM 1156 CG LYS A 70 7.743 -12.732 6.701 1.00 0.82 C ATOM 1157 CD LYS A 70 7.097 -13.468 7.864 1.00 0.78 C ATOM 1158 CE LYS A 70 6.842 -14.928 7.526 1.00 1.10 C ATOM 1159 NZ LYS A 70 6.138 -15.641 8.626 1.00 1.62 N ATOM 0 H LYS A 70 5.797 -12.234 3.303 1.00 0.44 H new ATOM 0 HA LYS A 70 6.647 -10.422 5.311 1.00 0.49 H new ATOM 0 HB2 LYS A 70 5.753 -12.539 5.941 1.00 0.61 H new ATOM 0 HB3 LYS A 70 6.844 -13.412 4.883 1.00 0.61 H new ATOM 0 HG2 LYS A 70 8.616 -13.287 6.358 1.00 0.82 H new ATOM 0 HG3 LYS A 70 8.097 -11.757 7.037 1.00 0.82 H new ATOM 0 HD2 LYS A 70 7.742 -13.404 8.740 1.00 0.78 H new ATOM 0 HD3 LYS A 70 6.156 -12.984 8.125 1.00 0.78 H new ATOM 0 HE2 LYS A 70 6.247 -14.990 6.615 1.00 1.10 H new ATOM 0 HE3 LYS A 70 7.791 -15.424 7.322 1.00 1.10 H new ATOM 0 HZ1 LYS A 70 5.984 -16.633 8.354 1.00 1.62 H new ATOM 0 HZ2 LYS A 70 6.716 -15.604 9.490 1.00 1.62 H new ATOM 0 HZ3 LYS A 70 5.221 -15.185 8.804 1.00 1.62 H new ATOM 1173 N GLY A 71 9.100 -10.157 5.138 1.00 0.46 N ATOM 1174 CA GLY A 71 10.492 -9.848 4.887 1.00 0.46 C ATOM 1175 C GLY A 71 10.643 -8.735 3.867 1.00 0.36 C ATOM 1176 O GLY A 71 11.734 -8.195 3.683 1.00 0.36 O ATOM 0 H GLY A 71 8.666 -9.612 5.883 1.00 0.46 H new ATOM 0 HA2 GLY A 71 10.974 -9.555 5.820 1.00 0.46 H new ATOM 0 HA3 GLY A 71 11.005 -10.741 4.530 1.00 0.46 H new ATOM 1180 N LEU A 72 9.533 -8.377 3.215 1.00 0.36 N ATOM 1181 CA LEU A 72 9.522 -7.317 2.219 1.00 0.34 C ATOM 1182 C LEU A 72 10.337 -6.112 2.671 1.00 0.31 C ATOM 1183 O LEU A 72 9.968 -5.426 3.623 1.00 0.60 O ATOM 1184 CB LEU A 72 8.077 -6.887 1.959 1.00 0.43 C ATOM 1185 CG LEU A 72 7.900 -5.609 1.137 1.00 0.51 C ATOM 1186 CD1 LEU A 72 8.125 -4.370 1.992 1.00 1.13 C ATOM 1187 CD2 LEU A 72 8.832 -5.614 -0.066 1.00 1.08 C ATOM 0 H LEU A 72 8.624 -8.815 3.366 1.00 0.36 H new ATOM 0 HA LEU A 72 9.974 -7.703 1.306 1.00 0.34 H new ATOM 0 HB2 LEU A 72 7.563 -7.700 1.447 1.00 0.43 H new ATOM 0 HB3 LEU A 72 7.580 -6.750 2.919 1.00 0.43 H new ATOM 0 HG LEU A 72 6.872 -5.580 0.775 1.00 0.51 H new ATOM 0 HD11 LEU A 72 7.993 -3.477 1.381 1.00 1.13 H new ATOM 0 HD12 LEU A 72 7.407 -4.358 2.812 1.00 1.13 H new ATOM 0 HD13 LEU A 72 9.137 -4.386 2.396 1.00 1.13 H new ATOM 0 HD21 LEU A 72 8.692 -4.697 -0.639 1.00 1.08 H new ATOM 0 HD22 LEU A 72 9.866 -5.675 0.275 1.00 1.08 H new ATOM 0 HD23 LEU A 72 8.607 -6.474 -0.697 1.00 1.08 H new ATOM 1199 N ARG A 73 11.426 -5.837 1.966 1.00 0.26 N ATOM 1200 CA ARG A 73 12.242 -4.674 2.278 1.00 0.23 C ATOM 1201 C ARG A 73 12.216 -3.689 1.119 1.00 0.20 C ATOM 1202 O ARG A 73 12.745 -3.963 0.042 1.00 0.24 O ATOM 1203 CB ARG A 73 13.682 -5.096 2.576 1.00 0.27 C ATOM 1204 CG ARG A 73 14.552 -3.958 3.084 1.00 0.43 C ATOM 1205 CD ARG A 73 15.958 -4.034 2.511 1.00 0.68 C ATOM 1206 NE ARG A 73 16.799 -2.940 2.985 1.00 1.54 N ATOM 1207 CZ ARG A 73 18.127 -2.976 2.984 1.00 2.09 C ATOM 1208 NH1 ARG A 73 18.764 -4.049 2.534 1.00 2.40 N ATOM 1209 NH2 ARG A 73 18.820 -1.939 3.434 1.00 2.73 N ATOM 0 H ARG A 73 11.761 -6.397 1.182 1.00 0.26 H new ATOM 0 HA ARG A 73 11.831 -4.189 3.163 1.00 0.23 H new ATOM 0 HB2 ARG A 73 13.673 -5.895 3.317 1.00 0.27 H new ATOM 0 HB3 ARG A 73 14.127 -5.507 1.670 1.00 0.27 H new ATOM 0 HG2 ARG A 73 14.099 -3.004 2.814 1.00 0.43 H new ATOM 0 HG3 ARG A 73 14.599 -3.992 4.172 1.00 0.43 H new ATOM 0 HD2 ARG A 73 16.411 -4.986 2.787 1.00 0.68 H new ATOM 0 HD3 ARG A 73 15.908 -4.008 1.422 1.00 0.68 H new ATOM 0 HE ARG A 73 16.341 -2.099 3.337 1.00 1.54 H new ATOM 0 HH11 ARG A 73 18.234 -4.849 2.188 1.00 2.40 H new ATOM 0 HH12 ARG A 73 19.784 -4.074 2.534 1.00 2.40 H new ATOM 0 HH21 ARG A 73 18.333 -1.113 3.781 1.00 2.73 H new ATOM 0 HH22 ARG A 73 19.840 -1.968 3.433 1.00 2.73 H new ATOM 1223 N CYS A 74 11.617 -2.529 1.357 1.00 0.20 N ATOM 1224 CA CYS A 74 11.515 -1.501 0.329 1.00 0.22 C ATOM 1225 C CYS A 74 11.459 -0.108 0.944 1.00 0.24 C ATOM 1226 O CYS A 74 11.111 0.053 2.114 1.00 0.31 O ATOM 1227 CB CYS A 74 10.274 -1.737 -0.533 1.00 0.27 C ATOM 1228 SG CYS A 74 8.710 -1.535 0.352 1.00 0.63 S ATOM 0 H CYS A 74 11.195 -2.277 2.251 1.00 0.20 H new ATOM 0 HA CYS A 74 12.406 -1.563 -0.295 1.00 0.22 H new ATOM 0 HB2 CYS A 74 10.294 -1.046 -1.376 1.00 0.27 H new ATOM 0 HB3 CYS A 74 10.318 -2.745 -0.946 1.00 0.27 H new ATOM 0 HG CYS A 74 8.644 -0.335 0.847 1.00 0.63 H new ATOM 1234 N ARG A 75 11.790 0.897 0.142 1.00 0.25 N ATOM 1235 CA ARG A 75 11.752 2.281 0.593 1.00 0.28 C ATOM 1236 C ARG A 75 10.452 2.945 0.158 1.00 0.31 C ATOM 1237 O ARG A 75 10.135 2.989 -1.031 1.00 0.37 O ATOM 1238 CB ARG A 75 12.948 3.053 0.030 1.00 0.33 C ATOM 1239 CG ARG A 75 13.311 4.288 0.838 1.00 0.54 C ATOM 1240 CD ARG A 75 13.217 5.553 0.001 1.00 0.99 C ATOM 1241 NE ARG A 75 14.459 6.320 0.028 1.00 1.50 N ATOM 1242 CZ ARG A 75 14.944 6.897 1.123 1.00 1.80 C ATOM 1243 NH1 ARG A 75 14.293 6.793 2.273 1.00 2.25 N ATOM 1244 NH2 ARG A 75 16.080 7.578 1.069 1.00 2.32 N ATOM 0 H ARG A 75 12.088 0.778 -0.826 1.00 0.25 H new ATOM 0 HA ARG A 75 11.804 2.293 1.682 1.00 0.28 H new ATOM 0 HB2 ARG A 75 13.812 2.389 -0.011 1.00 0.33 H new ATOM 0 HB3 ARG A 75 12.727 3.352 -0.995 1.00 0.33 H new ATOM 0 HG2 ARG A 75 12.645 4.370 1.697 1.00 0.54 H new ATOM 0 HG3 ARG A 75 14.324 4.184 1.228 1.00 0.54 H new ATOM 0 HD2 ARG A 75 12.976 5.289 -1.029 1.00 0.99 H new ATOM 0 HD3 ARG A 75 12.400 6.173 0.371 1.00 0.99 H new ATOM 0 HE ARG A 75 14.983 6.419 -0.841 1.00 1.50 H new ATOM 0 HH11 ARG A 75 13.419 6.270 2.319 1.00 2.25 H new ATOM 0 HH12 ARG A 75 14.666 7.236 3.112 1.00 2.25 H new ATOM 0 HH21 ARG A 75 16.584 7.660 0.186 1.00 2.32 H new ATOM 0 HH22 ARG A 75 16.450 8.020 1.910 1.00 2.32 H new ATOM 1258 N TRP A 76 9.699 3.464 1.123 1.00 0.41 N ATOM 1259 CA TRP A 76 8.427 4.110 0.827 1.00 0.48 C ATOM 1260 C TRP A 76 8.604 5.610 0.627 1.00 0.38 C ATOM 1261 O TRP A 76 9.258 6.281 1.425 1.00 0.49 O ATOM 1262 CB TRP A 76 7.421 3.852 1.948 1.00 0.72 C ATOM 1263 CG TRP A 76 6.831 2.475 1.914 1.00 0.63 C ATOM 1264 CD1 TRP A 76 7.501 1.292 2.035 1.00 0.97 C ATOM 1265 CD2 TRP A 76 5.449 2.139 1.745 1.00 0.89 C ATOM 1266 NE1 TRP A 76 6.621 0.241 1.952 1.00 1.28 N ATOM 1267 CE2 TRP A 76 5.355 0.735 1.774 1.00 1.28 C ATOM 1268 CE3 TRP A 76 4.282 2.889 1.571 1.00 1.19 C ATOM 1269 CZ2 TRP A 76 4.140 0.066 1.636 1.00 1.78 C ATOM 1270 CZ3 TRP A 76 3.078 2.224 1.435 1.00 1.71 C ATOM 1271 CH2 TRP A 76 3.015 0.826 1.468 1.00 1.95 C ATOM 0 H TRP A 76 9.947 3.450 2.112 1.00 0.41 H new ATOM 0 HA TRP A 76 8.046 3.681 -0.100 1.00 0.48 H new ATOM 0 HB2 TRP A 76 7.912 4.005 2.909 1.00 0.72 H new ATOM 0 HB3 TRP A 76 6.617 4.585 1.881 1.00 0.72 H new ATOM 0 HD1 TRP A 76 8.568 1.196 2.176 1.00 0.97 H new ATOM 0 HE1 TRP A 76 6.869 -0.746 2.013 1.00 1.28 H new ATOM 0 HE3 TRP A 76 4.321 3.968 1.543 1.00 1.19 H new ATOM 0 HZ2 TRP A 76 4.089 -1.012 1.661 1.00 1.78 H new ATOM 0 HZ3 TRP A 76 2.170 2.793 1.301 1.00 1.71 H new ATOM 0 HH2 TRP A 76 2.058 0.337 1.359 1.00 1.95 H new ATOM 1282 N LYS A 77 8.005 6.126 -0.438 1.00 0.35 N ATOM 1283 CA LYS A 77 8.083 7.551 -0.748 1.00 0.32 C ATOM 1284 C LYS A 77 6.759 8.033 -1.321 1.00 0.28 C ATOM 1285 O LYS A 77 6.190 7.386 -2.199 1.00 0.37 O ATOM 1286 CB LYS A 77 9.217 7.844 -1.745 1.00 0.42 C ATOM 1287 CG LYS A 77 10.170 6.680 -1.985 1.00 0.62 C ATOM 1288 CD LYS A 77 10.956 6.859 -3.275 1.00 0.67 C ATOM 1289 CE LYS A 77 11.487 5.534 -3.797 1.00 0.84 C ATOM 1290 NZ LYS A 77 12.685 5.719 -4.664 1.00 1.58 N ATOM 0 H LYS A 77 7.459 5.580 -1.104 1.00 0.35 H new ATOM 0 HA LYS A 77 8.296 8.085 0.178 1.00 0.32 H new ATOM 0 HB2 LYS A 77 8.777 8.138 -2.698 1.00 0.42 H new ATOM 0 HB3 LYS A 77 9.791 8.697 -1.382 1.00 0.42 H new ATOM 0 HG2 LYS A 77 10.861 6.595 -1.146 1.00 0.62 H new ATOM 0 HG3 LYS A 77 9.605 5.749 -2.028 1.00 0.62 H new ATOM 0 HD2 LYS A 77 10.317 7.318 -4.030 1.00 0.67 H new ATOM 0 HD3 LYS A 77 11.788 7.542 -3.103 1.00 0.67 H new ATOM 0 HE2 LYS A 77 11.743 4.889 -2.957 1.00 0.84 H new ATOM 0 HE3 LYS A 77 10.705 5.026 -4.362 1.00 0.84 H new ATOM 0 HZ1 LYS A 77 13.017 4.792 -5.000 1.00 1.58 H new ATOM 0 HZ2 LYS A 77 12.435 6.314 -5.480 1.00 1.58 H new ATOM 0 HZ3 LYS A 77 13.441 6.180 -4.118 1.00 1.58 H new ATOM 1304 N VAL A 78 6.252 9.154 -0.815 1.00 0.28 N ATOM 1305 CA VAL A 78 4.991 9.684 -1.307 1.00 0.27 C ATOM 1306 C VAL A 78 5.193 11.011 -2.026 1.00 0.25 C ATOM 1307 O VAL A 78 5.730 11.964 -1.463 1.00 0.35 O ATOM 1308 CB VAL A 78 3.950 9.855 -0.188 1.00 0.39 C ATOM 1309 CG1 VAL A 78 3.473 8.503 0.312 1.00 0.58 C ATOM 1310 CG2 VAL A 78 4.505 10.677 0.952 1.00 0.91 C ATOM 0 H VAL A 78 6.690 9.704 -0.076 1.00 0.28 H new ATOM 0 HA VAL A 78 4.606 8.949 -2.014 1.00 0.27 H new ATOM 0 HB VAL A 78 3.096 10.390 -0.604 1.00 0.39 H new ATOM 0 HG11 VAL A 78 2.737 8.647 1.103 1.00 0.58 H new ATOM 0 HG12 VAL A 78 3.018 7.951 -0.510 1.00 0.58 H new ATOM 0 HG13 VAL A 78 4.321 7.940 0.703 1.00 0.58 H new ATOM 0 HG21 VAL A 78 3.747 10.781 1.728 1.00 0.91 H new ATOM 0 HG22 VAL A 78 5.382 10.180 1.366 1.00 0.91 H new ATOM 0 HG23 VAL A 78 4.787 11.664 0.585 1.00 0.91 H new ATOM 1320 N LEU A 79 4.776 11.049 -3.285 1.00 0.21 N ATOM 1321 CA LEU A 79 4.891 12.253 -4.097 1.00 0.21 C ATOM 1322 C LEU A 79 3.685 13.169 -3.893 1.00 0.21 C ATOM 1323 O LEU A 79 3.522 14.161 -4.604 1.00 0.39 O ATOM 1324 CB LEU A 79 4.997 11.880 -5.581 1.00 0.24 C ATOM 1325 CG LEU A 79 5.504 10.465 -5.872 1.00 0.44 C ATOM 1326 CD1 LEU A 79 5.814 10.306 -7.352 1.00 0.38 C ATOM 1327 CD2 LEU A 79 6.729 10.152 -5.029 1.00 0.51 C ATOM 0 H LEU A 79 4.353 10.256 -3.767 1.00 0.21 H new ATOM 0 HA LEU A 79 5.791 12.783 -3.785 1.00 0.21 H new ATOM 0 HB2 LEU A 79 4.014 11.996 -6.038 1.00 0.24 H new ATOM 0 HB3 LEU A 79 5.661 12.593 -6.070 1.00 0.24 H new ATOM 0 HG LEU A 79 4.720 9.756 -5.608 1.00 0.44 H new ATOM 0 HD11 LEU A 79 6.173 9.295 -7.542 1.00 0.38 H new ATOM 0 HD12 LEU A 79 4.910 10.485 -7.934 1.00 0.38 H new ATOM 0 HD13 LEU A 79 6.581 11.024 -7.642 1.00 0.38 H new ATOM 0 HD21 LEU A 79 7.074 9.142 -5.250 1.00 0.51 H new ATOM 0 HD22 LEU A 79 7.521 10.865 -5.259 1.00 0.51 H new ATOM 0 HD23 LEU A 79 6.472 10.224 -3.972 1.00 0.51 H new ATOM 1339 N GLU A 80 2.829 12.822 -2.933 1.00 0.18 N ATOM 1340 CA GLU A 80 1.619 13.584 -2.675 1.00 0.18 C ATOM 1341 C GLU A 80 0.959 13.110 -1.388 1.00 0.16 C ATOM 1342 O GLU A 80 1.048 11.932 -1.041 1.00 0.19 O ATOM 1343 CB GLU A 80 0.653 13.402 -3.839 1.00 0.24 C ATOM 1344 CG GLU A 80 0.884 14.375 -4.984 1.00 0.93 C ATOM 1345 CD GLU A 80 -0.402 15.001 -5.485 1.00 1.67 C ATOM 1346 OE1 GLU A 80 -1.482 14.435 -5.218 1.00 2.16 O ATOM 1347 OE2 GLU A 80 -0.328 16.060 -6.144 1.00 2.24 O ATOM 0 H GLU A 80 2.956 12.015 -2.322 1.00 0.18 H new ATOM 0 HA GLU A 80 1.878 14.637 -2.569 1.00 0.18 H new ATOM 0 HB2 GLU A 80 0.741 12.383 -4.217 1.00 0.24 H new ATOM 0 HB3 GLU A 80 -0.367 13.520 -3.474 1.00 0.24 H new ATOM 0 HG2 GLU A 80 1.563 15.162 -4.656 1.00 0.93 H new ATOM 0 HG3 GLU A 80 1.374 13.853 -5.806 1.00 0.93 H new ATOM 1354 N PRO A 81 0.280 14.016 -0.657 1.00 0.20 N ATOM 1355 CA PRO A 81 -0.429 13.662 0.577 1.00 0.22 C ATOM 1356 C PRO A 81 -1.127 12.316 0.439 1.00 0.20 C ATOM 1357 O PRO A 81 -1.984 12.135 -0.427 1.00 0.22 O ATOM 1358 CB PRO A 81 -1.429 14.804 0.727 1.00 0.28 C ATOM 1359 CG PRO A 81 -0.715 15.977 0.144 1.00 0.33 C ATOM 1360 CD PRO A 81 0.103 15.439 -1.002 1.00 0.28 C ATOM 0 HA PRO A 81 0.225 13.552 1.442 1.00 0.22 H new ATOM 0 HB2 PRO A 81 -2.358 14.596 0.196 1.00 0.28 H new ATOM 0 HB3 PRO A 81 -1.690 14.973 1.772 1.00 0.28 H new ATOM 0 HG2 PRO A 81 -1.422 16.731 -0.202 1.00 0.33 H new ATOM 0 HG3 PRO A 81 -0.077 16.455 0.888 1.00 0.33 H new ATOM 0 HD2 PRO A 81 -0.412 15.560 -1.955 1.00 0.28 H new ATOM 0 HD3 PRO A 81 1.060 15.953 -1.089 1.00 0.28 H new ATOM 1368 N VAL A 82 -0.688 11.350 1.232 1.00 0.20 N ATOM 1369 CA VAL A 82 -1.160 9.986 1.084 1.00 0.19 C ATOM 1370 C VAL A 82 -2.193 9.599 2.148 1.00 0.18 C ATOM 1371 O VAL A 82 -1.990 9.810 3.344 1.00 0.24 O ATOM 1372 CB VAL A 82 0.057 9.007 1.074 1.00 0.24 C ATOM 1373 CG1 VAL A 82 0.168 8.150 2.335 1.00 0.31 C ATOM 1374 CG2 VAL A 82 0.015 8.130 -0.168 1.00 0.34 C ATOM 0 H VAL A 82 -0.009 11.487 1.981 1.00 0.20 H new ATOM 0 HA VAL A 82 -1.680 9.912 0.129 1.00 0.19 H new ATOM 0 HB VAL A 82 0.952 9.629 1.056 1.00 0.24 H new ATOM 0 HG11 VAL A 82 1.036 7.496 2.255 1.00 0.31 H new ATOM 0 HG12 VAL A 82 0.280 8.796 3.206 1.00 0.31 H new ATOM 0 HG13 VAL A 82 -0.733 7.546 2.445 1.00 0.31 H new ATOM 0 HG21 VAL A 82 0.868 7.452 -0.164 1.00 0.34 H new ATOM 0 HG22 VAL A 82 -0.909 7.551 -0.174 1.00 0.34 H new ATOM 0 HG23 VAL A 82 0.055 8.758 -1.058 1.00 0.34 H new ATOM 1384 N ARG A 83 -3.275 8.982 1.685 1.00 0.14 N ATOM 1385 CA ARG A 83 -4.324 8.480 2.561 1.00 0.17 C ATOM 1386 C ARG A 83 -4.696 7.067 2.131 1.00 0.22 C ATOM 1387 O ARG A 83 -5.262 6.872 1.055 1.00 0.25 O ATOM 1388 CB ARG A 83 -5.551 9.391 2.509 1.00 0.20 C ATOM 1389 CG ARG A 83 -5.791 10.164 3.795 1.00 0.62 C ATOM 1390 CD ARG A 83 -4.778 11.284 3.972 1.00 0.92 C ATOM 1391 NE ARG A 83 -5.407 12.602 3.942 1.00 1.25 N ATOM 1392 CZ ARG A 83 -4.727 13.739 3.832 1.00 1.71 C ATOM 1393 NH1 ARG A 83 -3.405 13.718 3.742 1.00 2.02 N ATOM 1394 NH2 ARG A 83 -5.370 14.899 3.813 1.00 2.42 N ATOM 0 H ARG A 83 -3.448 8.817 0.693 1.00 0.14 H new ATOM 0 HA ARG A 83 -3.959 8.466 3.588 1.00 0.17 H new ATOM 0 HB2 ARG A 83 -5.434 10.097 1.687 1.00 0.20 H new ATOM 0 HB3 ARG A 83 -6.432 8.788 2.288 1.00 0.20 H new ATOM 0 HG2 ARG A 83 -6.798 10.581 3.787 1.00 0.62 H new ATOM 0 HG3 ARG A 83 -5.735 9.484 4.645 1.00 0.62 H new ATOM 0 HD2 ARG A 83 -4.255 11.153 4.920 1.00 0.92 H new ATOM 0 HD3 ARG A 83 -4.028 11.222 3.183 1.00 0.92 H new ATOM 0 HE ARG A 83 -6.424 12.653 4.009 1.00 1.25 H new ATOM 0 HH11 ARG A 83 -2.907 12.828 3.757 1.00 2.02 H new ATOM 0 HH12 ARG A 83 -2.886 14.592 3.658 1.00 2.02 H new ATOM 0 HH21 ARG A 83 -6.387 14.919 3.883 1.00 2.42 H new ATOM 0 HH22 ARG A 83 -4.847 15.771 3.729 1.00 2.42 H new ATOM 1408 N LYS A 84 -4.348 6.077 2.947 1.00 0.28 N ATOM 1409 CA LYS A 84 -4.588 4.689 2.572 1.00 0.37 C ATOM 1410 C LYS A 84 -5.131 3.852 3.729 1.00 0.27 C ATOM 1411 O LYS A 84 -4.908 4.159 4.901 1.00 0.23 O ATOM 1412 CB LYS A 84 -3.289 4.068 2.031 1.00 0.56 C ATOM 1413 CG LYS A 84 -2.348 3.540 3.106 1.00 0.47 C ATOM 1414 CD LYS A 84 -0.901 3.555 2.640 1.00 0.91 C ATOM 1415 CE LYS A 84 -0.037 4.432 3.531 1.00 1.17 C ATOM 1416 NZ LYS A 84 1.397 4.391 3.127 1.00 1.63 N ATOM 0 H LYS A 84 -3.906 6.206 3.857 1.00 0.28 H new ATOM 0 HA LYS A 84 -5.353 4.688 1.796 1.00 0.37 H new ATOM 0 HB2 LYS A 84 -3.545 3.251 1.356 1.00 0.56 H new ATOM 0 HB3 LYS A 84 -2.762 4.817 1.440 1.00 0.56 H new ATOM 0 HG2 LYS A 84 -2.447 4.146 4.007 1.00 0.47 H new ATOM 0 HG3 LYS A 84 -2.634 2.523 3.373 1.00 0.47 H new ATOM 0 HD2 LYS A 84 -0.508 2.538 2.638 1.00 0.91 H new ATOM 0 HD3 LYS A 84 -0.852 3.918 1.613 1.00 0.91 H new ATOM 0 HE2 LYS A 84 -0.397 5.460 3.488 1.00 1.17 H new ATOM 0 HE3 LYS A 84 -0.132 4.104 4.566 1.00 1.17 H new ATOM 0 HZ1 LYS A 84 1.989 4.721 3.916 1.00 1.63 H new ATOM 0 HZ2 LYS A 84 1.660 3.416 2.881 1.00 1.63 H new ATOM 0 HZ3 LYS A 84 1.543 5.008 2.303 1.00 1.63 H new ATOM 1430 N HIS A 85 -5.815 2.770 3.374 1.00 0.28 N ATOM 1431 CA HIS A 85 -6.347 1.830 4.347 1.00 0.22 C ATOM 1432 C HIS A 85 -5.418 0.626 4.453 1.00 0.22 C ATOM 1433 O HIS A 85 -4.545 0.435 3.605 1.00 0.27 O ATOM 1434 CB HIS A 85 -7.757 1.392 3.951 1.00 0.28 C ATOM 1435 CG HIS A 85 -8.754 2.505 4.010 1.00 0.31 C ATOM 1436 ND1 HIS A 85 -9.980 2.389 4.630 1.00 0.41 N ATOM 1437 CD2 HIS A 85 -8.693 3.771 3.533 1.00 0.37 C ATOM 1438 CE1 HIS A 85 -10.633 3.532 4.526 1.00 0.50 C ATOM 1439 NE2 HIS A 85 -9.874 4.386 3.865 1.00 0.48 N ATOM 0 H HIS A 85 -6.015 2.522 2.405 1.00 0.28 H new ATOM 0 HA HIS A 85 -6.407 2.317 5.320 1.00 0.22 H new ATOM 0 HB2 HIS A 85 -7.734 0.985 2.940 1.00 0.28 H new ATOM 0 HB3 HIS A 85 -8.080 0.587 4.611 1.00 0.28 H new ATOM 0 HD1 HIS A 85 -10.328 1.551 5.096 1.00 0.41 H new ATOM 0 HD2 HIS A 85 -7.869 4.214 2.993 1.00 0.37 H new ATOM 0 HE1 HIS A 85 -11.620 3.734 4.915 1.00 0.50 H new ATOM 1448 N TYR A 86 -5.567 -0.160 5.511 1.00 0.22 N ATOM 1449 CA TYR A 86 -4.675 -1.291 5.734 1.00 0.26 C ATOM 1450 C TYR A 86 -5.414 -2.620 5.746 1.00 0.26 C ATOM 1451 O TYR A 86 -6.625 -2.677 5.957 1.00 0.30 O ATOM 1452 CB TYR A 86 -3.948 -1.117 7.062 1.00 0.36 C ATOM 1453 CG TYR A 86 -2.909 -0.027 7.052 1.00 0.37 C ATOM 1454 CD1 TYR A 86 -1.743 -0.172 6.318 1.00 0.52 C ATOM 1455 CD2 TYR A 86 -3.099 1.146 7.766 1.00 0.64 C ATOM 1456 CE1 TYR A 86 -0.788 0.821 6.296 1.00 0.53 C ATOM 1457 CE2 TYR A 86 -2.148 2.146 7.754 1.00 0.72 C ATOM 1458 CZ TYR A 86 -0.996 1.984 7.052 1.00 0.48 C ATOM 1459 OH TYR A 86 -0.042 2.974 7.002 1.00 0.57 O ATOM 0 H TYR A 86 -6.289 -0.038 6.221 1.00 0.22 H new ATOM 0 HA TYR A 86 -3.967 -1.309 4.906 1.00 0.26 H new ATOM 0 HB2 TYR A 86 -4.680 -0.900 7.840 1.00 0.36 H new ATOM 0 HB3 TYR A 86 -3.469 -2.059 7.329 1.00 0.36 H new ATOM 0 HD1 TYR A 86 -1.580 -1.078 5.754 1.00 0.52 H new ATOM 0 HD2 TYR A 86 -4.004 1.279 8.340 1.00 0.64 H new ATOM 0 HE1 TYR A 86 0.108 0.705 5.705 1.00 0.53 H new ATOM 0 HE2 TYR A 86 -2.320 3.059 8.304 1.00 0.72 H new ATOM 0 HH TYR A 86 -0.224 3.639 7.699 1.00 0.57 H new ATOM 1469 N ASN A 87 -4.654 -3.691 5.546 1.00 0.27 N ATOM 1470 CA ASN A 87 -5.201 -5.041 5.545 1.00 0.27 C ATOM 1471 C ASN A 87 -4.085 -6.063 5.741 1.00 0.32 C ATOM 1472 O ASN A 87 -3.828 -6.893 4.868 1.00 0.39 O ATOM 1473 CB ASN A 87 -5.940 -5.316 4.235 1.00 0.26 C ATOM 1474 CG ASN A 87 -7.241 -6.064 4.449 1.00 0.39 C ATOM 1475 OD1 ASN A 87 -7.922 -5.874 5.458 1.00 1.27 O ATOM 1476 ND2 ASN A 87 -7.595 -6.920 3.498 1.00 1.00 N ATOM 0 H ASN A 87 -3.648 -3.648 5.381 1.00 0.27 H new ATOM 0 HA ASN A 87 -5.908 -5.129 6.370 1.00 0.27 H new ATOM 0 HB2 ASN A 87 -6.146 -4.371 3.733 1.00 0.26 H new ATOM 0 HB3 ASN A 87 -5.296 -5.895 3.573 1.00 0.26 H new ATOM 0 HD21 ASN A 87 -8.461 -7.451 3.587 1.00 1.00 H new ATOM 0 HD22 ASN A 87 -7.001 -7.046 2.679 1.00 1.00 H new ATOM 1483 N LEU A 88 -3.420 -5.991 6.891 1.00 0.36 N ATOM 1484 CA LEU A 88 -2.320 -6.897 7.200 1.00 0.43 C ATOM 1485 C LEU A 88 -2.837 -8.192 7.814 1.00 0.49 C ATOM 1486 O LEU A 88 -3.672 -8.173 8.717 1.00 0.52 O ATOM 1487 CB LEU A 88 -1.335 -6.226 8.161 1.00 0.53 C ATOM 1488 CG LEU A 88 -1.079 -4.740 7.901 1.00 0.62 C ATOM 1489 CD1 LEU A 88 -0.676 -4.035 9.188 1.00 1.21 C ATOM 1490 CD2 LEU A 88 -0.007 -4.562 6.838 1.00 1.56 C ATOM 0 H LEU A 88 -3.625 -5.313 7.625 1.00 0.36 H new ATOM 0 HA LEU A 88 -1.807 -7.136 6.268 1.00 0.43 H new ATOM 0 HB2 LEU A 88 -1.710 -6.341 9.178 1.00 0.53 H new ATOM 0 HB3 LEU A 88 -0.384 -6.756 8.110 1.00 0.53 H new ATOM 0 HG LEU A 88 -2.003 -4.290 7.537 1.00 0.62 H new ATOM 0 HD11 LEU A 88 -0.498 -2.979 8.984 1.00 1.21 H new ATOM 0 HD12 LEU A 88 -1.476 -4.133 9.922 1.00 1.21 H new ATOM 0 HD13 LEU A 88 0.235 -4.487 9.581 1.00 1.21 H new ATOM 0 HD21 LEU A 88 0.162 -3.499 6.666 1.00 1.56 H new ATOM 0 HD22 LEU A 88 0.920 -5.027 7.174 1.00 1.56 H new ATOM 0 HD23 LEU A 88 -0.333 -5.032 5.910 1.00 1.56 H new ATOM 1502 N PHE A 89 -2.332 -9.316 7.316 1.00 0.57 N ATOM 1503 CA PHE A 89 -2.741 -10.623 7.812 1.00 0.67 C ATOM 1504 C PHE A 89 -1.616 -11.282 8.603 1.00 1.02 C ATOM 1505 O PHE A 89 -1.588 -12.529 8.666 1.00 1.77 O ATOM 1506 CB PHE A 89 -3.155 -11.524 6.647 1.00 1.01 C ATOM 1507 CG PHE A 89 -3.922 -10.804 5.573 1.00 0.71 C ATOM 1508 CD1 PHE A 89 -5.183 -10.290 5.831 1.00 1.05 C ATOM 1509 CD2 PHE A 89 -3.381 -10.639 4.309 1.00 1.00 C ATOM 1510 CE1 PHE A 89 -5.891 -9.627 4.846 1.00 1.19 C ATOM 1511 CE2 PHE A 89 -4.085 -9.977 3.320 1.00 1.03 C ATOM 1512 CZ PHE A 89 -5.340 -9.474 3.586 1.00 0.93 C ATOM 1513 OXT PHE A 89 -0.770 -10.545 9.154 1.00 1.45 O ATOM 0 H PHE A 89 -1.638 -9.347 6.569 1.00 0.57 H new ATOM 0 HA PHE A 89 -3.593 -10.482 8.477 1.00 0.67 H new ATOM 0 HB2 PHE A 89 -2.262 -11.969 6.208 1.00 1.01 H new ATOM 0 HB3 PHE A 89 -3.764 -12.343 7.030 1.00 1.01 H new ATOM 0 HD1 PHE A 89 -5.617 -10.409 6.813 1.00 1.05 H new ATOM 0 HD2 PHE A 89 -2.398 -11.032 4.093 1.00 1.00 H new ATOM 0 HE1 PHE A 89 -6.872 -9.229 5.059 1.00 1.19 H new ATOM 0 HE2 PHE A 89 -3.651 -9.854 2.339 1.00 1.03 H new ATOM 0 HZ PHE A 89 -5.893 -8.961 2.813 1.00 0.93 H new