USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 796 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 67 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 72 TYR OH : rot 180:sc= 0.0567 USER MOD Set 2.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 35 SER OG : rot -102:sc= 0.453 USER MOD Set 2.3: A 55 ASN :FLIP amide:sc= 0.899 F(o=-2.2,f=1.4) USER MOD Set 3.1: A 19 THR OG1 : rot -85:sc= -0.494 USER MOD Set 3.2: A 62 THR OG1 : rot 166:sc= 0.958 USER MOD Set 4.1: A 14 THR OG1 : rot 84:sc= 1.18 USER MOD Set 4.2: A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 0 SER N :NH3+ -135:sc= -1.13! (180deg=-4.16!) USER MOD Single : A 0 SER OG : rot 180:sc= 0.0414 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 168:sc= 1.3 (180deg=0.806) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 153:sc= -0.755 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= -0.0867 (180deg=-0.433) USER MOD Single : A 52 ASN : amide:sc= -3.46 K(o=-3.5,f=-12!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -6.46! C(o=-6.5!,f=-13!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -7.32! C(o=-7.3!,f=-9.5!) USER MOD Single : A 86 SER OG : rot -103:sc= -1.17 USER MOD Single : A 89 SER OG : rot 48:sc= -2.41! USER MOD Single : A 92 SER OG : rot -16:sc= -0.644 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 149:sc= -9.02! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -22.606 -3.635 -3.334 1.00 2.05 N ATOM 2 CA SER A 0 -22.459 -4.948 -4.021 1.00 1.55 C ATOM 3 C SER A 0 -21.218 -4.972 -4.911 1.00 1.39 C ATOM 4 O SER A 0 -20.396 -5.885 -4.819 1.00 1.50 O ATOM 5 CB SER A 0 -23.716 -5.215 -4.853 1.00 2.08 C ATOM 6 OG SER A 0 -24.710 -4.236 -4.605 1.00 2.74 O ATOM 0 H1 SER A 0 -22.841 -3.791 -2.333 1.00 2.05 H new ATOM 0 H2 SER A 0 -21.713 -3.106 -3.401 1.00 2.05 H new ATOM 0 H3 SER A 0 -23.367 -3.089 -3.787 1.00 2.05 H new ATOM 0 HA SER A 0 -22.338 -5.729 -3.270 1.00 1.55 H new ATOM 0 HB2 SER A 0 -23.461 -5.218 -5.913 1.00 2.08 H new ATOM 0 HB3 SER A 0 -24.109 -6.204 -4.617 1.00 2.08 H new ATOM 0 HG SER A 0 -25.502 -4.428 -5.150 1.00 2.74 H new ATOM 12 N PRO A 1 -21.064 -3.967 -5.791 1.00 1.23 N ATOM 13 CA PRO A 1 -19.930 -3.871 -6.696 1.00 1.19 C ATOM 14 C PRO A 1 -18.802 -3.021 -6.124 1.00 1.24 C ATOM 15 O PRO A 1 -18.325 -2.089 -6.770 1.00 2.06 O ATOM 16 CB PRO A 1 -20.550 -3.185 -7.908 1.00 1.18 C ATOM 17 CG PRO A 1 -21.616 -2.294 -7.345 1.00 1.26 C ATOM 18 CD PRO A 1 -21.986 -2.837 -5.981 1.00 1.24 C ATOM 0 HA PRO A 1 -19.472 -4.838 -6.904 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -19.806 -2.611 -8.460 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -20.970 -3.913 -8.602 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -21.256 -1.268 -7.265 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -22.487 -2.276 -8.000 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -21.861 -2.084 -5.203 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -23.027 -3.160 -5.948 1.00 1.24 H new ATOM 26 N ILE A 2 -18.378 -3.347 -4.905 1.00 0.68 N ATOM 27 CA ILE A 2 -17.305 -2.611 -4.239 1.00 0.61 C ATOM 28 C ILE A 2 -16.155 -2.309 -5.199 1.00 0.57 C ATOM 29 O ILE A 2 -15.815 -3.129 -6.052 1.00 0.63 O ATOM 30 CB ILE A 2 -16.760 -3.394 -3.029 1.00 0.62 C ATOM 31 CG1 ILE A 2 -15.799 -2.505 -2.223 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.083 -4.678 -3.496 1.00 0.66 C ATOM 33 CD1 ILE A 2 -14.823 -3.263 -1.340 1.00 0.56 C ATOM 0 H ILE A 2 -18.762 -4.117 -4.357 1.00 0.68 H new ATOM 0 HA ILE A 2 -17.735 -1.671 -3.894 1.00 0.61 H new ATOM 0 HB ILE A 2 -17.585 -3.676 -2.375 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.233 -1.883 -2.917 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.386 -1.832 -1.598 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -15.702 -5.223 -2.633 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -16.806 -5.298 -4.026 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.257 -4.432 -4.163 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.186 -2.555 -0.810 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -15.376 -3.864 -0.618 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.205 -3.915 -1.957 1.00 0.56 H new ATOM 45 N ASP A 3 -15.565 -1.127 -5.058 1.00 0.55 N ATOM 46 CA ASP A 3 -14.459 -0.720 -5.921 1.00 0.54 C ATOM 47 C ASP A 3 -13.184 -0.492 -5.112 1.00 0.47 C ATOM 48 O ASP A 3 -13.213 0.163 -4.069 1.00 0.49 O ATOM 49 CB ASP A 3 -14.824 0.559 -6.678 1.00 0.61 C ATOM 50 CG ASP A 3 -15.777 0.302 -7.828 1.00 1.15 C ATOM 51 OD1 ASP A 3 -16.905 -0.169 -7.571 1.00 1.64 O ATOM 52 OD2 ASP A 3 -15.396 0.571 -8.986 1.00 2.00 O ATOM 0 H ASP A 3 -15.832 -0.435 -4.357 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.276 -1.524 -6.634 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.277 1.269 -5.987 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -13.915 1.023 -7.061 1.00 0.61 H new ATOM 57 N PRO A 4 -12.041 -1.024 -5.582 1.00 0.44 N ATOM 58 CA PRO A 4 -10.763 -0.866 -4.896 1.00 0.41 C ATOM 59 C PRO A 4 -10.088 0.465 -5.232 1.00 0.38 C ATOM 60 O PRO A 4 -10.213 0.973 -6.347 1.00 0.43 O ATOM 61 CB PRO A 4 -9.948 -2.037 -5.427 1.00 0.45 C ATOM 62 CG PRO A 4 -10.448 -2.237 -6.817 1.00 0.50 C ATOM 63 CD PRO A 4 -11.902 -1.821 -6.817 1.00 0.50 C ATOM 0 HA PRO A 4 -10.868 -0.858 -3.811 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -8.881 -1.815 -5.417 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.094 -2.930 -4.820 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.874 -1.639 -7.525 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.343 -3.279 -7.120 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.150 -1.234 -7.702 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.565 -2.686 -6.812 1.00 0.50 H new ATOM 71 N PRO A 5 -9.368 1.051 -4.261 1.00 0.37 N ATOM 72 CA PRO A 5 -8.673 2.334 -4.435 1.00 0.39 C ATOM 73 C PRO A 5 -7.872 2.436 -5.731 1.00 0.38 C ATOM 74 O PRO A 5 -7.520 1.430 -6.349 1.00 0.47 O ATOM 75 CB PRO A 5 -7.737 2.371 -3.232 1.00 0.46 C ATOM 76 CG PRO A 5 -8.480 1.634 -2.180 1.00 0.71 C ATOM 77 CD PRO A 5 -9.176 0.511 -2.898 1.00 0.43 C ATOM 0 HA PRO A 5 -9.378 3.163 -4.497 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -6.782 1.895 -3.454 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -7.520 3.394 -2.926 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.804 1.252 -1.415 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -9.197 2.283 -1.677 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.573 -0.397 -2.906 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.126 0.259 -2.427 1.00 0.43 H new ATOM 85 N GLY A 6 -7.590 3.675 -6.125 1.00 0.37 N ATOM 86 CA GLY A 6 -6.830 3.940 -7.335 1.00 0.39 C ATOM 87 C GLY A 6 -5.474 3.256 -7.340 1.00 0.42 C ATOM 88 O GLY A 6 -5.262 2.277 -6.625 1.00 0.66 O ATOM 0 H GLY A 6 -7.879 4.512 -5.619 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.404 3.606 -8.199 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.690 5.016 -7.442 1.00 0.39 H new ATOM 92 N LYS A 7 -4.552 3.778 -8.148 1.00 0.41 N ATOM 93 CA LYS A 7 -3.205 3.220 -8.244 1.00 0.44 C ATOM 94 C LYS A 7 -2.298 3.811 -7.166 1.00 0.37 C ATOM 95 O LYS A 7 -2.156 5.032 -7.074 1.00 0.42 O ATOM 96 CB LYS A 7 -2.609 3.505 -9.626 1.00 0.54 C ATOM 97 CG LYS A 7 -1.793 2.354 -10.191 1.00 0.64 C ATOM 98 CD LYS A 7 -0.502 2.146 -9.413 1.00 1.01 C ATOM 99 CE LYS A 7 0.701 2.042 -10.336 1.00 0.95 C ATOM 100 NZ LYS A 7 1.708 3.103 -10.058 1.00 1.52 N ATOM 0 H LYS A 7 -4.714 4.588 -8.746 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.274 2.142 -8.096 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.417 3.740 -10.319 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -1.976 4.390 -9.563 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -2.386 1.440 -10.164 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.560 2.552 -11.237 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.358 2.974 -8.719 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.580 1.239 -8.814 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.164 1.062 -10.219 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.371 2.117 -11.372 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.512 2.997 -10.709 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 1.274 4.038 -10.194 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 2.042 3.016 -9.077 1.00 1.52 H new ATOM 114 N PRO A 8 -1.660 2.968 -6.333 1.00 0.34 N ATOM 115 CA PRO A 8 -0.767 3.437 -5.273 1.00 0.32 C ATOM 116 C PRO A 8 0.561 3.928 -5.834 1.00 0.33 C ATOM 117 O PRO A 8 1.315 3.161 -6.432 1.00 0.44 O ATOM 118 CB PRO A 8 -0.546 2.200 -4.389 1.00 0.39 C ATOM 119 CG PRO A 8 -1.477 1.156 -4.910 1.00 0.44 C ATOM 120 CD PRO A 8 -1.741 1.502 -6.344 1.00 0.41 C ATOM 0 HA PRO A 8 -1.193 4.281 -4.730 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.489 1.862 -4.441 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.756 2.424 -3.343 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.034 0.164 -4.825 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.404 1.142 -4.337 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -1.002 1.059 -7.012 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.719 1.151 -6.673 1.00 0.41 H new ATOM 128 N VAL A 9 0.839 5.209 -5.642 1.00 0.34 N ATOM 129 CA VAL A 9 2.077 5.805 -6.133 1.00 0.38 C ATOM 130 C VAL A 9 2.825 6.486 -4.998 1.00 0.34 C ATOM 131 O VAL A 9 2.355 7.496 -4.472 1.00 0.35 O ATOM 132 CB VAL A 9 1.823 6.854 -7.242 1.00 0.43 C ATOM 133 CG1 VAL A 9 2.933 6.806 -8.279 1.00 0.53 C ATOM 134 CG2 VAL A 9 0.462 6.663 -7.899 1.00 1.09 C ATOM 0 H VAL A 9 0.225 5.858 -5.150 1.00 0.34 H new ATOM 0 HA VAL A 9 2.669 4.990 -6.549 1.00 0.38 H new ATOM 0 HB VAL A 9 1.822 7.838 -6.774 1.00 0.43 H new ATOM 0 HG11 VAL A 9 2.741 7.549 -9.053 1.00 0.53 H new ATOM 0 HG12 VAL A 9 3.888 7.020 -7.800 1.00 0.53 H new ATOM 0 HG13 VAL A 9 2.967 5.814 -8.730 1.00 0.53 H new ATOM 0 HG21 VAL A 9 0.322 7.419 -8.672 1.00 1.09 H new ATOM 0 HG22 VAL A 9 0.411 5.671 -8.348 1.00 1.09 H new ATOM 0 HG23 VAL A 9 -0.322 6.762 -7.148 1.00 1.09 H new ATOM 144 N PRO A 10 3.994 5.949 -4.594 1.00 0.34 N ATOM 145 CA PRO A 10 4.789 6.512 -3.515 1.00 0.32 C ATOM 146 C PRO A 10 4.716 8.029 -3.433 1.00 0.37 C ATOM 147 O PRO A 10 4.625 8.729 -4.442 1.00 0.64 O ATOM 148 CB PRO A 10 6.199 6.068 -3.845 1.00 0.38 C ATOM 149 CG PRO A 10 6.042 4.774 -4.576 1.00 0.39 C ATOM 150 CD PRO A 10 4.633 4.740 -5.144 1.00 0.42 C ATOM 0 HA PRO A 10 4.429 6.172 -2.544 1.00 0.32 H new ATOM 0 HB2 PRO A 10 6.711 6.808 -4.460 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.793 5.939 -2.940 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.780 4.692 -5.374 1.00 0.39 H new ATOM 0 HG3 PRO A 10 6.205 3.931 -3.904 1.00 0.39 H new ATOM 0 HD2 PRO A 10 4.642 4.755 -6.234 1.00 0.42 H new ATOM 0 HD3 PRO A 10 4.103 3.837 -4.842 1.00 0.42 H new ATOM 158 N LEU A 11 4.757 8.509 -2.211 1.00 0.34 N ATOM 159 CA LEU A 11 4.700 9.920 -1.908 1.00 0.43 C ATOM 160 C LEU A 11 6.068 10.380 -1.452 1.00 0.43 C ATOM 161 O LEU A 11 6.547 11.451 -1.826 1.00 0.57 O ATOM 162 CB LEU A 11 3.694 10.136 -0.789 1.00 0.56 C ATOM 163 CG LEU A 11 2.832 11.384 -0.887 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.142 11.603 0.445 1.00 1.12 C ATOM 165 CD2 LEU A 11 3.666 12.597 -1.272 1.00 1.64 C ATOM 0 H LEU A 11 4.832 7.917 -1.384 1.00 0.34 H new ATOM 0 HA LEU A 11 4.400 10.486 -2.790 1.00 0.43 H new ATOM 0 HB2 LEU A 11 3.036 9.268 -0.749 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.236 10.168 0.156 1.00 0.56 H new ATOM 0 HG LEU A 11 2.084 11.247 -1.668 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.519 12.496 0.390 1.00 1.12 H new ATOM 0 HD12 LEU A 11 1.519 10.740 0.678 1.00 1.12 H new ATOM 0 HD13 LEU A 11 2.891 11.731 1.226 1.00 1.12 H new ATOM 0 HD21 LEU A 11 3.023 13.475 -1.335 1.00 1.64 H new ATOM 0 HD22 LEU A 11 4.436 12.764 -0.518 1.00 1.64 H new ATOM 0 HD23 LEU A 11 4.137 12.422 -2.239 1.00 1.64 H new ATOM 177 N ASN A 12 6.685 9.541 -0.634 1.00 0.34 N ATOM 178 CA ASN A 12 8.006 9.824 -0.102 1.00 0.36 C ATOM 179 C ASN A 12 8.619 8.561 0.473 1.00 0.37 C ATOM 180 O ASN A 12 8.208 8.075 1.525 1.00 0.58 O ATOM 181 CB ASN A 12 7.933 10.912 0.967 1.00 0.42 C ATOM 182 CG ASN A 12 9.194 11.752 1.034 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.352 11.099 1.003 1.00 0.72 O flip ATOM 184 ND2 ASN A 12 9.129 12.980 1.111 1.00 0.71 N flip ATOM 0 H ASN A 12 6.288 8.654 -0.324 1.00 0.34 H new ATOM 0 HA ASN A 12 8.637 10.183 -0.915 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.080 11.560 0.763 1.00 0.42 H new ATOM 0 HB3 ASN A 12 7.757 10.450 1.938 1.00 0.42 H new ATOM 0 HD21 ASN A 12 8.220 13.442 1.132 1.00 0.71 H new ATOM 0 HD22 ASN A 12 9.984 13.534 1.154 1.00 0.71 H new ATOM 191 N ILE A 13 9.605 8.035 -0.229 1.00 0.38 N ATOM 192 CA ILE A 13 10.274 6.825 0.206 1.00 0.43 C ATOM 193 C ILE A 13 11.447 7.126 1.132 1.00 0.53 C ATOM 194 O ILE A 13 12.524 7.523 0.687 1.00 0.75 O ATOM 195 CB ILE A 13 10.731 5.981 -0.994 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.724 6.775 -1.870 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.496 5.544 -1.774 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.641 6.476 -3.357 1.00 0.96 C ATOM 0 H ILE A 13 9.960 8.426 -1.102 1.00 0.38 H new ATOM 0 HA ILE A 13 9.547 6.245 0.775 1.00 0.43 H new ATOM 0 HB ILE A 13 11.262 5.092 -0.653 1.00 0.48 H new ATOM 0 HG12 ILE A 13 11.550 7.840 -1.718 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.737 6.565 -1.527 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.801 4.943 -2.631 1.00 0.53 H new ATOM 0 HG22 ILE A 13 8.848 4.952 -1.128 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.955 6.424 -2.122 1.00 0.53 H new ATOM 0 HD11 ILE A 13 12.375 7.080 -3.891 1.00 0.96 H new ATOM 0 HD12 ILE A 13 11.847 5.419 -3.528 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.641 6.714 -3.721 1.00 0.96 H new ATOM 210 N THR A 14 11.218 6.926 2.431 1.00 0.59 N ATOM 211 CA THR A 14 12.238 7.167 3.448 1.00 0.71 C ATOM 212 C THR A 14 13.039 5.908 3.727 1.00 0.79 C ATOM 213 O THR A 14 13.322 5.589 4.880 1.00 1.46 O ATOM 214 CB THR A 14 11.592 7.679 4.735 1.00 0.75 C ATOM 215 OG1 THR A 14 10.198 7.860 4.557 1.00 0.69 O ATOM 216 CG2 THR A 14 12.168 8.996 5.213 1.00 0.94 C ATOM 0 H THR A 14 10.328 6.595 2.803 1.00 0.59 H new ATOM 0 HA THR A 14 12.922 7.926 3.068 1.00 0.71 H new ATOM 0 HB THR A 14 11.800 6.917 5.486 1.00 0.75 H new ATOM 0 HG1 THR A 14 9.737 7.007 4.699 1.00 0.69 H new ATOM 0 HG21 THR A 14 11.665 9.302 6.130 1.00 0.94 H new ATOM 0 HG22 THR A 14 13.234 8.878 5.406 1.00 0.94 H new ATOM 0 HG23 THR A 14 12.020 9.757 4.447 1.00 0.94 H new ATOM 224 N ARG A 15 13.406 5.212 2.656 1.00 0.66 N ATOM 225 CA ARG A 15 14.191 3.989 2.741 1.00 0.67 C ATOM 226 C ARG A 15 13.536 2.941 3.641 1.00 0.71 C ATOM 227 O ARG A 15 12.987 1.953 3.153 1.00 1.19 O ATOM 228 CB ARG A 15 15.624 4.279 3.230 1.00 0.80 C ATOM 229 CG ARG A 15 16.086 5.723 3.066 1.00 0.96 C ATOM 230 CD ARG A 15 16.261 6.408 4.411 1.00 1.13 C ATOM 231 NE ARG A 15 17.468 5.961 5.099 1.00 1.43 N ATOM 232 CZ ARG A 15 17.887 6.467 6.255 1.00 1.67 C ATOM 233 NH1 ARG A 15 17.197 7.431 6.847 1.00 1.90 N ATOM 234 NH2 ARG A 15 18.996 6.008 6.818 1.00 2.42 N ATOM 0 H ARG A 15 13.166 5.482 1.702 1.00 0.66 H new ATOM 0 HA ARG A 15 14.236 3.581 1.731 1.00 0.67 H new ATOM 0 HB2 ARG A 15 15.693 4.010 4.284 1.00 0.80 H new ATOM 0 HB3 ARG A 15 16.313 3.630 2.690 1.00 0.80 H new ATOM 0 HG2 ARG A 15 17.029 5.745 2.520 1.00 0.96 H new ATOM 0 HG3 ARG A 15 15.359 6.273 2.468 1.00 0.96 H new ATOM 0 HD2 ARG A 15 16.305 7.487 4.265 1.00 1.13 H new ATOM 0 HD3 ARG A 15 15.391 6.206 5.036 1.00 1.13 H new ATOM 0 HE ARG A 15 18.021 5.219 4.669 1.00 1.43 H new ATOM 0 HH11 ARG A 15 16.343 7.786 6.416 1.00 1.90 H new ATOM 0 HH12 ARG A 15 17.520 7.818 7.734 1.00 1.90 H new ATOM 0 HH21 ARG A 15 19.529 5.266 6.364 1.00 2.42 H new ATOM 0 HH22 ARG A 15 19.316 6.397 7.705 1.00 2.42 H new ATOM 248 N HIS A 16 13.608 3.146 4.948 1.00 0.50 N ATOM 249 CA HIS A 16 13.030 2.199 5.896 1.00 0.54 C ATOM 250 C HIS A 16 11.514 2.304 5.917 1.00 0.57 C ATOM 251 O HIS A 16 10.816 1.331 6.207 1.00 0.97 O ATOM 252 CB HIS A 16 13.597 2.425 7.295 1.00 0.67 C ATOM 253 CG HIS A 16 14.809 1.594 7.577 1.00 0.68 C ATOM 254 ND1 HIS A 16 14.908 0.714 8.630 1.00 0.97 N ATOM 255 CD2 HIS A 16 15.992 1.516 6.912 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.119 0.141 8.576 1.00 1.02 C ATOM 257 NE2 HIS A 16 16.815 0.594 7.551 1.00 0.86 N ATOM 0 H HIS A 16 14.058 3.955 5.377 1.00 0.50 H new ATOM 0 HA HIS A 16 13.297 1.194 5.570 1.00 0.54 H new ATOM 0 HB2 HIS A 16 13.851 3.479 7.412 1.00 0.67 H new ATOM 0 HB3 HIS A 16 12.828 2.198 8.033 1.00 0.67 H new ATOM 0 HD2 HIS A 16 16.252 2.080 6.028 1.00 0.78 H new ATOM 0 HE1 HIS A 16 16.478 -0.595 9.280 1.00 1.02 H new ATOM 0 HE2 HIS A 16 17.761 0.324 7.282 1.00 0.86 H new ATOM 265 N THR A 17 11.010 3.484 5.597 1.00 0.43 N ATOM 266 CA THR A 17 9.574 3.718 5.563 1.00 0.42 C ATOM 267 C THR A 17 9.192 4.357 4.237 1.00 0.38 C ATOM 268 O THR A 17 9.437 5.542 4.013 1.00 0.56 O ATOM 269 CB THR A 17 9.140 4.603 6.730 1.00 0.56 C ATOM 270 OG1 THR A 17 10.043 5.681 6.910 1.00 0.65 O ATOM 271 CG2 THR A 17 9.048 3.852 8.041 1.00 0.68 C ATOM 0 H THR A 17 11.575 4.298 5.356 1.00 0.43 H new ATOM 0 HA THR A 17 9.059 2.762 5.659 1.00 0.42 H new ATOM 0 HB THR A 17 8.147 4.967 6.466 1.00 0.56 H new ATOM 0 HG1 THR A 17 9.745 6.235 7.661 1.00 0.65 H new ATOM 0 HG21 THR A 17 8.735 4.535 8.831 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.319 3.047 7.949 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.023 3.433 8.289 1.00 0.68 H new ATOM 279 N VAL A 18 8.609 3.559 3.356 1.00 0.27 N ATOM 280 CA VAL A 18 8.212 4.039 2.043 1.00 0.33 C ATOM 281 C VAL A 18 6.785 4.599 2.056 1.00 0.32 C ATOM 282 O VAL A 18 5.824 3.863 2.281 1.00 0.51 O ATOM 283 CB VAL A 18 8.345 2.910 0.989 1.00 0.44 C ATOM 284 CG1 VAL A 18 7.775 3.339 -0.355 1.00 0.80 C ATOM 285 CG2 VAL A 18 9.807 2.486 0.842 1.00 0.46 C ATOM 0 H VAL A 18 8.400 2.575 3.527 1.00 0.27 H new ATOM 0 HA VAL A 18 8.884 4.853 1.770 1.00 0.33 H new ATOM 0 HB VAL A 18 7.767 2.055 1.338 1.00 0.44 H new ATOM 0 HG11 VAL A 18 7.883 2.526 -1.072 1.00 0.80 H new ATOM 0 HG12 VAL A 18 6.719 3.584 -0.241 1.00 0.80 H new ATOM 0 HG13 VAL A 18 8.314 4.215 -0.716 1.00 0.80 H new ATOM 0 HG21 VAL A 18 9.883 1.693 0.098 1.00 0.46 H new ATOM 0 HG22 VAL A 18 10.403 3.341 0.523 1.00 0.46 H new ATOM 0 HG23 VAL A 18 10.178 2.122 1.800 1.00 0.46 H new ATOM 295 N THR A 19 6.655 5.909 1.811 1.00 0.27 N ATOM 296 CA THR A 19 5.341 6.551 1.797 1.00 0.24 C ATOM 297 C THR A 19 4.709 6.490 0.419 1.00 0.22 C ATOM 298 O THR A 19 5.404 6.522 -0.599 1.00 0.34 O ATOM 299 CB THR A 19 5.405 8.015 2.238 1.00 0.28 C ATOM 300 OG1 THR A 19 5.840 8.126 3.582 1.00 0.35 O ATOM 301 CG2 THR A 19 4.059 8.698 2.123 1.00 0.32 C ATOM 0 H THR A 19 7.436 6.537 1.622 1.00 0.27 H new ATOM 0 HA THR A 19 4.731 5.995 2.508 1.00 0.24 H new ATOM 0 HB THR A 19 6.117 8.502 1.572 1.00 0.28 H new ATOM 0 HG1 THR A 19 5.074 8.019 4.184 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.149 9.735 2.446 1.00 0.32 H new ATOM 0 HG22 THR A 19 3.723 8.668 1.086 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.335 8.183 2.754 1.00 0.32 H new ATOM 309 N LEU A 20 3.379 6.425 0.402 1.00 0.28 N ATOM 310 CA LEU A 20 2.625 6.369 -0.845 1.00 0.26 C ATOM 311 C LEU A 20 1.230 6.956 -0.674 1.00 0.28 C ATOM 312 O LEU A 20 0.703 7.037 0.439 1.00 0.40 O ATOM 313 CB LEU A 20 2.514 4.928 -1.361 1.00 0.33 C ATOM 314 CG LEU A 20 3.096 3.842 -0.452 1.00 0.39 C ATOM 315 CD1 LEU A 20 2.085 2.736 -0.233 1.00 0.52 C ATOM 316 CD2 LEU A 20 4.377 3.315 -1.056 1.00 0.50 C ATOM 0 H LEU A 20 2.801 6.410 1.242 1.00 0.28 H new ATOM 0 HA LEU A 20 3.171 6.966 -1.576 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.461 4.705 -1.532 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.013 4.870 -2.328 1.00 0.33 H new ATOM 0 HG LEU A 20 3.326 4.268 0.525 1.00 0.39 H new ATOM 0 HD11 LEU A 20 2.515 1.973 0.415 1.00 0.52 H new ATOM 0 HD12 LEU A 20 1.191 3.148 0.235 1.00 0.52 H new ATOM 0 HD13 LEU A 20 1.820 2.290 -1.192 1.00 0.52 H new ATOM 0 HD21 LEU A 20 4.793 2.542 -0.410 1.00 0.50 H new ATOM 0 HD22 LEU A 20 4.169 2.893 -2.039 1.00 0.50 H new ATOM 0 HD23 LEU A 20 5.095 4.129 -1.155 1.00 0.50 H new ATOM 328 N LYS A 21 0.639 7.355 -1.793 1.00 0.25 N ATOM 329 CA LYS A 21 -0.700 7.930 -1.797 1.00 0.31 C ATOM 330 C LYS A 21 -1.439 7.536 -3.071 1.00 0.31 C ATOM 331 O LYS A 21 -0.842 7.467 -4.146 1.00 0.51 O ATOM 332 CB LYS A 21 -0.623 9.454 -1.683 1.00 0.40 C ATOM 333 CG LYS A 21 -1.851 10.081 -1.045 1.00 0.81 C ATOM 334 CD LYS A 21 -3.098 9.840 -1.880 1.00 0.95 C ATOM 335 CE LYS A 21 -3.957 11.092 -1.979 1.00 1.26 C ATOM 336 NZ LYS A 21 -3.569 11.946 -3.136 1.00 1.84 N ATOM 0 H LYS A 21 1.069 7.290 -2.715 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.248 7.542 -0.939 1.00 0.31 H new ATOM 0 HB2 LYS A 21 0.257 9.722 -1.098 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.485 9.878 -2.678 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -1.995 9.667 -0.047 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -1.693 11.153 -0.926 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -2.810 9.516 -2.880 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -3.681 9.032 -1.439 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -5.004 10.806 -2.075 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -3.867 11.667 -1.058 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -4.179 12.788 -3.166 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -2.577 12.241 -3.033 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -3.680 11.407 -4.018 1.00 1.84 H new ATOM 350 N TRP A 22 -2.734 7.271 -2.949 1.00 0.25 N ATOM 351 CA TRP A 22 -3.534 6.878 -4.102 1.00 0.24 C ATOM 352 C TRP A 22 -4.754 7.782 -4.286 1.00 0.24 C ATOM 353 O TRP A 22 -4.910 8.783 -3.586 1.00 0.40 O ATOM 354 CB TRP A 22 -3.974 5.427 -3.959 1.00 0.27 C ATOM 355 CG TRP A 22 -4.527 5.091 -2.610 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.842 4.963 -2.278 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.783 4.829 -1.415 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.963 4.633 -0.951 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.714 4.548 -0.399 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.422 4.807 -1.106 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.330 4.245 0.903 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.038 4.506 0.190 1.00 0.31 C ATOM 363 CH2 TRP A 22 -2.992 4.228 1.180 1.00 0.32 C ATOM 0 H TRP A 22 -3.249 7.321 -2.070 1.00 0.25 H new ATOM 0 HA TRP A 22 -2.910 6.985 -4.989 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.729 5.211 -4.715 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -3.123 4.778 -4.164 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.669 5.101 -2.959 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.841 4.477 -0.457 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.682 5.021 -1.863 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.063 4.031 1.667 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -0.988 4.485 0.442 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.662 3.996 2.182 1.00 0.32 H new ATOM 374 N ALA A 23 -5.610 7.421 -5.244 1.00 0.31 N ATOM 375 CA ALA A 23 -6.811 8.196 -5.542 1.00 0.33 C ATOM 376 C ALA A 23 -8.040 7.675 -4.802 1.00 0.36 C ATOM 377 O ALA A 23 -9.005 8.409 -4.602 1.00 0.83 O ATOM 378 CB ALA A 23 -7.073 8.181 -7.040 1.00 0.36 C ATOM 0 H ALA A 23 -5.491 6.593 -5.828 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.632 9.215 -5.200 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -7.970 8.760 -7.258 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.222 8.619 -7.563 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.215 7.153 -7.374 1.00 0.36 H new ATOM 384 N LYS A 24 -7.999 6.410 -4.413 1.00 0.59 N ATOM 385 CA LYS A 24 -9.115 5.781 -3.706 1.00 0.61 C ATOM 386 C LYS A 24 -10.259 5.470 -4.681 1.00 0.59 C ATOM 387 O LYS A 24 -10.273 5.966 -5.808 1.00 0.69 O ATOM 388 CB LYS A 24 -9.580 6.670 -2.531 1.00 0.74 C ATOM 389 CG LYS A 24 -10.789 7.562 -2.811 1.00 1.21 C ATOM 390 CD LYS A 24 -12.062 6.990 -2.208 1.00 1.22 C ATOM 391 CE LYS A 24 -13.126 8.063 -2.044 1.00 1.55 C ATOM 392 NZ LYS A 24 -13.482 8.697 -3.343 1.00 2.11 N ATOM 0 H LYS A 24 -7.203 5.793 -4.574 1.00 0.59 H new ATOM 0 HA LYS A 24 -8.780 4.834 -3.284 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -9.816 6.026 -1.684 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -8.747 7.304 -2.228 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -10.609 8.557 -2.404 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -10.916 7.676 -3.888 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -12.442 6.192 -2.846 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -11.839 6.544 -1.238 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.018 7.624 -1.598 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -12.768 8.827 -1.354 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -14.342 9.270 -3.225 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -12.700 9.306 -3.658 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -13.653 7.958 -4.055 1.00 2.11 H new ATOM 406 N PRO A 25 -11.230 4.642 -4.260 1.00 0.56 N ATOM 407 CA PRO A 25 -12.372 4.268 -5.105 1.00 0.63 C ATOM 408 C PRO A 25 -13.346 5.421 -5.326 1.00 0.75 C ATOM 409 O PRO A 25 -13.087 6.552 -4.917 1.00 0.89 O ATOM 410 CB PRO A 25 -13.045 3.151 -4.310 1.00 0.63 C ATOM 411 CG PRO A 25 -12.688 3.437 -2.893 1.00 0.71 C ATOM 412 CD PRO A 25 -11.295 4.002 -2.933 1.00 0.58 C ATOM 0 HA PRO A 25 -12.054 3.974 -6.106 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.125 3.155 -4.456 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -12.685 2.170 -4.620 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.386 4.146 -2.448 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -12.726 2.531 -2.289 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.129 4.721 -2.131 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.541 3.223 -2.824 1.00 0.58 H new ATOM 420 N GLU A 26 -14.468 5.124 -5.975 1.00 0.85 N ATOM 421 CA GLU A 26 -15.481 6.135 -6.252 1.00 1.05 C ATOM 422 C GLU A 26 -16.865 5.666 -5.822 1.00 0.95 C ATOM 423 O GLU A 26 -17.651 6.445 -5.283 1.00 1.12 O ATOM 424 CB GLU A 26 -15.491 6.489 -7.739 1.00 1.29 C ATOM 425 CG GLU A 26 -14.164 7.027 -8.244 1.00 1.83 C ATOM 426 CD GLU A 26 -14.297 7.746 -9.572 1.00 2.18 C ATOM 427 OE1 GLU A 26 -15.438 7.878 -10.062 1.00 2.77 O ATOM 428 OE2 GLU A 26 -13.261 8.177 -10.120 1.00 2.53 O ATOM 0 H GLU A 26 -14.698 4.191 -6.318 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.227 7.024 -5.674 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -15.756 5.601 -8.314 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -16.268 7.231 -7.922 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -13.748 7.711 -7.504 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -13.458 6.203 -8.350 1.00 1.83 H new ATOM 435 N TYR A 27 -17.163 4.394 -6.062 1.00 0.85 N ATOM 436 CA TYR A 27 -18.460 3.847 -5.693 1.00 0.84 C ATOM 437 C TYR A 27 -18.415 3.200 -4.314 1.00 0.86 C ATOM 438 O TYR A 27 -18.994 3.715 -3.359 1.00 1.37 O ATOM 439 CB TYR A 27 -18.937 2.826 -6.728 1.00 0.86 C ATOM 440 CG TYR A 27 -20.386 2.431 -6.550 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.392 3.388 -6.603 1.00 1.15 C ATOM 442 CD2 TYR A 27 -20.750 1.107 -6.326 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.718 3.038 -6.439 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.075 0.751 -6.163 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.054 1.721 -6.219 1.00 1.19 C ATOM 446 OH TYR A 27 -24.375 1.370 -6.057 1.00 1.35 O ATOM 0 H TYR A 27 -16.530 3.729 -6.506 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.166 4.677 -5.664 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.800 3.240 -7.727 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.313 1.934 -6.664 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -21.133 4.422 -6.775 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -19.985 0.346 -6.279 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -23.488 3.794 -6.483 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -22.343 -0.281 -5.993 1.00 1.04 H new ATOM 0 HH TYR A 27 -24.441 0.403 -5.912 1.00 1.35 H new ATOM 456 N THR A 28 -17.727 2.067 -4.218 1.00 0.65 N ATOM 457 CA THR A 28 -17.611 1.352 -2.953 1.00 0.61 C ATOM 458 C THR A 28 -18.988 0.975 -2.412 1.00 0.66 C ATOM 459 O THR A 28 -19.250 1.105 -1.217 1.00 0.81 O ATOM 460 CB THR A 28 -16.870 2.208 -1.923 1.00 0.64 C ATOM 461 OG1 THR A 28 -17.731 3.183 -1.370 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.668 2.930 -2.489 1.00 0.79 C ATOM 0 H THR A 28 -17.242 1.625 -4.999 1.00 0.65 H new ATOM 0 HA THR A 28 -17.045 0.438 -3.135 1.00 0.61 H new ATOM 0 HB THR A 28 -16.525 1.505 -1.165 1.00 0.64 H new ATOM 0 HG1 THR A 28 -17.426 3.414 -0.468 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.193 3.517 -1.703 1.00 0.79 H new ATOM 0 HG22 THR A 28 -14.957 2.202 -2.879 1.00 0.79 H new ATOM 0 HG23 THR A 28 -15.987 3.593 -3.294 1.00 0.79 H new ATOM 470 N GLY A 29 -19.866 0.509 -3.299 1.00 0.75 N ATOM 471 CA GLY A 29 -21.204 0.123 -2.883 1.00 0.80 C ATOM 472 C GLY A 29 -21.869 1.183 -2.020 1.00 0.85 C ATOM 473 O GLY A 29 -22.412 2.163 -2.531 1.00 1.01 O ATOM 0 H GLY A 29 -19.675 0.392 -4.294 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -21.817 -0.061 -3.765 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.153 -0.814 -2.329 1.00 0.80 H new ATOM 477 N GLY A 30 -21.808 0.988 -0.708 1.00 0.83 N ATOM 478 CA GLY A 30 -22.388 1.935 0.229 1.00 0.89 C ATOM 479 C GLY A 30 -21.465 2.146 1.407 1.00 0.85 C ATOM 480 O GLY A 30 -21.904 2.398 2.530 1.00 0.98 O ATOM 0 H GLY A 30 -21.362 0.181 -0.271 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.571 2.886 -0.272 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.353 1.567 0.577 1.00 0.89 H new ATOM 484 N PHE A 31 -20.172 2.016 1.134 1.00 0.73 N ATOM 485 CA PHE A 31 -19.138 2.159 2.146 1.00 0.69 C ATOM 486 C PHE A 31 -18.258 3.376 1.865 1.00 0.67 C ATOM 487 O PHE A 31 -18.359 3.998 0.809 1.00 0.74 O ATOM 488 CB PHE A 31 -18.267 0.897 2.163 1.00 0.63 C ATOM 489 CG PHE A 31 -18.988 -0.357 1.736 1.00 0.67 C ATOM 490 CD1 PHE A 31 -19.897 -0.969 2.588 1.00 0.79 C ATOM 491 CD2 PHE A 31 -18.756 -0.924 0.493 1.00 0.64 C ATOM 492 CE1 PHE A 31 -20.558 -2.121 2.207 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.416 -2.077 0.108 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.318 -2.664 0.933 1.00 0.83 C ATOM 0 H PHE A 31 -19.813 1.808 0.202 1.00 0.73 H new ATOM 0 HA PHE A 31 -19.620 2.298 3.114 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -17.410 1.051 1.507 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -17.876 0.753 3.170 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -20.090 -0.540 3.560 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.052 -0.461 -0.182 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -21.252 -2.600 2.882 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.211 -2.514 -0.858 1.00 0.73 H new ATOM 0 HZ PHE A 31 -20.851 -3.547 0.612 1.00 0.83 H new ATOM 504 N LYS A 32 -17.389 3.705 2.818 1.00 0.68 N ATOM 505 CA LYS A 32 -16.480 4.840 2.671 1.00 0.72 C ATOM 506 C LYS A 32 -15.056 4.490 3.122 1.00 0.66 C ATOM 507 O LYS A 32 -14.178 5.353 3.136 1.00 0.74 O ATOM 508 CB LYS A 32 -16.998 6.046 3.462 1.00 0.86 C ATOM 509 CG LYS A 32 -16.786 5.936 4.964 1.00 1.38 C ATOM 510 CD LYS A 32 -15.715 6.901 5.443 1.00 1.38 C ATOM 511 CE LYS A 32 -14.728 6.218 6.373 1.00 1.50 C ATOM 512 NZ LYS A 32 -15.046 6.470 7.806 1.00 2.26 N ATOM 0 H LYS A 32 -17.295 3.202 3.700 1.00 0.68 H new ATOM 0 HA LYS A 32 -16.443 5.093 1.611 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -16.501 6.946 3.100 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -18.063 6.168 3.263 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -17.723 6.143 5.482 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -16.500 4.916 5.219 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -15.184 7.312 4.585 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -16.183 7.739 5.959 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -14.734 5.145 6.183 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -13.721 6.574 6.157 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -14.348 5.986 8.407 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -15.015 7.492 7.994 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -15.997 6.108 8.019 1.00 2.26 H new ATOM 526 N ILE A 33 -14.831 3.224 3.488 1.00 0.67 N ATOM 527 CA ILE A 33 -13.522 2.759 3.936 1.00 0.66 C ATOM 528 C ILE A 33 -12.984 3.585 5.098 1.00 0.80 C ATOM 529 O ILE A 33 -12.729 4.781 4.969 1.00 1.71 O ATOM 530 CB ILE A 33 -12.492 2.774 2.797 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.108 2.229 1.511 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.265 1.962 3.185 1.00 0.58 C ATOM 533 CD1 ILE A 33 -13.084 3.219 0.369 1.00 0.91 C ATOM 0 H ILE A 33 -15.549 2.499 3.481 1.00 0.67 H new ATOM 0 HA ILE A 33 -13.672 1.733 4.273 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.185 3.805 2.620 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -12.571 1.328 1.213 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.139 1.936 1.707 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -10.543 1.981 2.369 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -10.813 2.391 4.079 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.559 0.932 3.385 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.537 2.767 -0.514 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -13.645 4.111 0.649 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -12.053 3.494 0.147 1.00 0.91 H new ATOM 545 N THR A 34 -12.805 2.923 6.234 1.00 0.72 N ATOM 546 CA THR A 34 -12.288 3.572 7.430 1.00 0.73 C ATOM 547 C THR A 34 -10.788 3.314 7.588 1.00 0.59 C ATOM 548 O THR A 34 -10.129 3.946 8.415 1.00 0.76 O ATOM 549 CB THR A 34 -13.038 3.072 8.669 1.00 0.99 C ATOM 550 OG1 THR A 34 -12.458 1.876 9.154 1.00 1.09 O ATOM 551 CG2 THR A 34 -14.506 2.796 8.414 1.00 1.15 C ATOM 0 H THR A 34 -13.012 1.931 6.351 1.00 0.72 H new ATOM 0 HA THR A 34 -12.443 4.646 7.327 1.00 0.73 H new ATOM 0 HB THR A 34 -12.958 3.878 9.398 1.00 0.99 H new ATOM 0 HG1 THR A 34 -12.949 1.572 9.946 1.00 1.09 H new ATOM 0 HG21 THR A 34 -14.975 2.445 9.333 1.00 1.15 H new ATOM 0 HG22 THR A 34 -14.996 3.711 8.083 1.00 1.15 H new ATOM 0 HG23 THR A 34 -14.604 2.032 7.642 1.00 1.15 H new ATOM 559 N SER A 35 -10.248 2.383 6.796 1.00 0.49 N ATOM 560 CA SER A 35 -8.828 2.054 6.866 1.00 0.47 C ATOM 561 C SER A 35 -8.375 1.260 5.643 1.00 0.45 C ATOM 562 O SER A 35 -9.070 0.353 5.188 1.00 0.72 O ATOM 563 CB SER A 35 -8.536 1.243 8.126 1.00 0.64 C ATOM 564 OG SER A 35 -9.634 1.274 9.021 1.00 1.58 O ATOM 0 H SER A 35 -10.772 1.848 6.104 1.00 0.49 H new ATOM 0 HA SER A 35 -8.276 2.994 6.893 1.00 0.47 H new ATOM 0 HB2 SER A 35 -8.314 0.211 7.854 1.00 0.64 H new ATOM 0 HB3 SER A 35 -7.649 1.640 8.620 1.00 0.64 H new ATOM 0 HG SER A 35 -9.450 1.911 9.743 1.00 1.58 H new ATOM 570 N TYR A 36 -7.200 1.606 5.125 1.00 0.27 N ATOM 571 CA TYR A 36 -6.638 0.926 3.959 1.00 0.28 C ATOM 572 C TYR A 36 -5.449 0.051 4.357 1.00 0.33 C ATOM 573 O TYR A 36 -4.420 0.555 4.802 1.00 0.68 O ATOM 574 CB TYR A 36 -6.193 1.945 2.909 1.00 0.29 C ATOM 575 CG TYR A 36 -7.309 2.826 2.391 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.200 2.360 1.433 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.466 4.124 2.859 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.219 3.165 0.956 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.482 4.934 2.387 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.355 4.450 1.436 1.00 0.60 C ATOM 581 OH TYR A 36 -10.369 5.254 0.964 1.00 0.76 O ATOM 0 H TYR A 36 -6.616 2.356 5.495 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.416 0.290 3.537 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.415 2.577 3.338 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.745 1.414 2.070 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.096 1.354 1.055 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.784 4.507 3.603 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -9.905 2.789 0.211 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.591 5.941 2.761 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.326 6.128 1.405 1.00 0.76 H new ATOM 591 N ILE A 37 -5.599 -1.262 4.189 1.00 0.24 N ATOM 592 CA ILE A 37 -4.536 -2.209 4.523 1.00 0.26 C ATOM 593 C ILE A 37 -3.716 -2.556 3.285 1.00 0.33 C ATOM 594 O ILE A 37 -4.180 -3.292 2.416 1.00 0.70 O ATOM 595 CB ILE A 37 -5.072 -3.539 5.116 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.478 -3.395 5.727 1.00 0.41 C ATOM 597 CG2 ILE A 37 -4.098 -4.067 6.158 1.00 0.46 C ATOM 598 CD1 ILE A 37 -7.493 -4.338 5.116 1.00 1.14 C ATOM 0 H ILE A 37 -6.447 -1.695 3.823 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.925 -1.710 5.275 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.157 -4.249 4.293 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.421 -3.578 6.800 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.821 -2.368 5.596 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.479 -5.001 6.572 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -3.128 -4.245 5.693 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.988 -3.334 6.958 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -8.463 -4.186 5.590 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.577 -4.140 4.047 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -7.171 -5.368 5.270 1.00 1.14 H new ATOM 610 N VAL A 38 -2.498 -2.033 3.199 1.00 0.36 N ATOM 611 CA VAL A 38 -1.646 -2.314 2.045 1.00 0.42 C ATOM 612 C VAL A 38 -0.639 -3.419 2.350 1.00 0.35 C ATOM 613 O VAL A 38 -0.013 -3.442 3.410 1.00 0.48 O ATOM 614 CB VAL A 38 -0.948 -1.021 1.484 1.00 0.63 C ATOM 615 CG1 VAL A 38 -0.947 0.099 2.511 1.00 0.46 C ATOM 616 CG2 VAL A 38 0.475 -1.267 0.974 1.00 0.51 C ATOM 0 H VAL A 38 -2.082 -1.422 3.901 1.00 0.36 H new ATOM 0 HA VAL A 38 -2.299 -2.678 1.252 1.00 0.42 H new ATOM 0 HB VAL A 38 -1.546 -0.719 0.624 1.00 0.63 H new ATOM 0 HG11 VAL A 38 -0.457 0.977 2.091 1.00 0.46 H new ATOM 0 HG12 VAL A 38 -1.974 0.349 2.778 1.00 0.46 H new ATOM 0 HG13 VAL A 38 -0.409 -0.225 3.402 1.00 0.46 H new ATOM 0 HG21 VAL A 38 0.895 -0.332 0.602 1.00 0.51 H new ATOM 0 HG22 VAL A 38 1.093 -1.644 1.789 1.00 0.51 H new ATOM 0 HG23 VAL A 38 0.451 -2.000 0.168 1.00 0.51 H new ATOM 626 N GLU A 39 -0.503 -4.331 1.393 1.00 0.30 N ATOM 627 CA GLU A 39 0.410 -5.453 1.518 1.00 0.33 C ATOM 628 C GLU A 39 1.777 -5.105 0.947 1.00 0.32 C ATOM 629 O GLU A 39 1.880 -4.390 -0.049 1.00 0.43 O ATOM 630 CB GLU A 39 -0.167 -6.666 0.791 1.00 0.42 C ATOM 631 CG GLU A 39 -1.651 -6.872 1.047 1.00 0.51 C ATOM 632 CD GLU A 39 -2.050 -8.336 1.043 1.00 0.92 C ATOM 633 OE1 GLU A 39 -1.851 -9.005 0.008 1.00 1.67 O ATOM 634 OE2 GLU A 39 -2.562 -8.814 2.077 1.00 1.52 O ATOM 0 H GLU A 39 -1.021 -4.311 0.515 1.00 0.30 H new ATOM 0 HA GLU A 39 0.532 -5.687 2.576 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.003 -6.550 -0.280 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.375 -7.559 1.102 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.914 -6.431 2.008 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.224 -6.342 0.286 1.00 0.51 H new ATOM 641 N LYS A 40 2.824 -5.615 1.582 1.00 0.28 N ATOM 642 CA LYS A 40 4.186 -5.357 1.136 1.00 0.31 C ATOM 643 C LYS A 40 4.803 -6.603 0.519 1.00 0.29 C ATOM 644 O LYS A 40 4.449 -7.724 0.877 1.00 0.35 O ATOM 645 CB LYS A 40 5.046 -4.883 2.308 1.00 0.43 C ATOM 646 CG LYS A 40 5.036 -5.835 3.493 1.00 0.92 C ATOM 647 CD LYS A 40 6.428 -6.373 3.792 1.00 1.14 C ATOM 648 CE LYS A 40 6.889 -5.979 5.184 1.00 1.65 C ATOM 649 NZ LYS A 40 6.954 -7.151 6.098 1.00 1.97 N ATOM 0 H LYS A 40 2.756 -6.210 2.408 1.00 0.28 H new ATOM 0 HA LYS A 40 4.149 -4.576 0.377 1.00 0.31 H new ATOM 0 HB2 LYS A 40 6.073 -4.753 1.965 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.693 -3.905 2.635 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.648 -5.319 4.371 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.361 -6.666 3.287 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.427 -7.459 3.702 1.00 1.14 H new ATOM 0 HD3 LYS A 40 7.133 -5.993 3.053 1.00 1.14 H new ATOM 0 HE2 LYS A 40 7.872 -5.511 5.122 1.00 1.65 H new ATOM 0 HE3 LYS A 40 6.207 -5.235 5.595 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 7.273 -6.841 7.038 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 6.011 -7.582 6.177 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 7.624 -7.850 5.719 1.00 1.97 H new ATOM 663 N ARG A 41 5.730 -6.399 -0.407 1.00 0.36 N ATOM 664 CA ARG A 41 6.404 -7.505 -1.072 1.00 0.40 C ATOM 665 C ARG A 41 7.909 -7.284 -1.082 1.00 0.41 C ATOM 666 O ARG A 41 8.420 -6.495 -1.872 1.00 0.43 O ATOM 667 CB ARG A 41 5.896 -7.664 -2.506 1.00 0.46 C ATOM 668 CG ARG A 41 6.440 -8.899 -3.207 1.00 0.58 C ATOM 669 CD ARG A 41 5.331 -9.886 -3.528 1.00 0.88 C ATOM 670 NE ARG A 41 4.770 -9.678 -4.855 1.00 0.95 N ATOM 671 CZ ARG A 41 4.030 -10.586 -5.480 1.00 1.13 C ATOM 672 NH1 ARG A 41 3.775 -11.750 -4.899 1.00 1.44 N ATOM 673 NH2 ARG A 41 3.534 -10.334 -6.680 1.00 1.44 N ATOM 0 H ARG A 41 6.033 -5.475 -0.715 1.00 0.36 H new ATOM 0 HA ARG A 41 6.183 -8.417 -0.517 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.807 -7.712 -2.494 1.00 0.46 H new ATOM 0 HB3 ARG A 41 6.170 -6.779 -3.081 1.00 0.46 H new ATOM 0 HG2 ARG A 41 6.945 -8.605 -4.127 1.00 0.58 H new ATOM 0 HG3 ARG A 41 7.186 -9.380 -2.574 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.720 -10.902 -3.456 1.00 0.88 H new ATOM 0 HD3 ARG A 41 4.540 -9.794 -2.784 1.00 0.88 H new ATOM 0 HE ARG A 41 4.954 -8.793 -5.327 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.147 -11.949 -3.971 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.206 -12.447 -5.380 1.00 1.44 H new ATOM 0 HH21 ARG A 41 3.719 -9.438 -7.131 1.00 1.44 H new ATOM 0 HH22 ARG A 41 2.966 -11.036 -7.155 1.00 1.44 H new ATOM 687 N ASP A 42 8.611 -7.981 -0.202 1.00 0.50 N ATOM 688 CA ASP A 42 10.060 -7.856 -0.114 1.00 0.57 C ATOM 689 C ASP A 42 10.732 -8.623 -1.244 1.00 0.62 C ATOM 690 O ASP A 42 10.943 -9.830 -1.147 1.00 0.91 O ATOM 691 CB ASP A 42 10.553 -8.380 1.232 1.00 0.71 C ATOM 692 CG ASP A 42 9.485 -9.145 1.985 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.349 -9.239 1.473 1.00 1.49 O ATOM 694 OD2 ASP A 42 9.783 -9.651 3.087 1.00 1.59 O ATOM 0 H ASP A 42 8.202 -8.639 0.462 1.00 0.50 H new ATOM 0 HA ASP A 42 10.320 -6.801 -0.203 1.00 0.57 H new ATOM 0 HB2 ASP A 42 11.415 -9.028 1.072 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.893 -7.543 1.841 1.00 0.71 H new ATOM 699 N LEU A 43 11.067 -7.919 -2.317 1.00 0.63 N ATOM 700 CA LEU A 43 11.715 -8.548 -3.464 1.00 0.68 C ATOM 701 C LEU A 43 13.183 -8.845 -3.159 1.00 0.81 C ATOM 702 O LEU A 43 13.827 -8.106 -2.412 1.00 0.90 O ATOM 703 CB LEU A 43 11.609 -7.655 -4.709 1.00 0.62 C ATOM 704 CG LEU A 43 10.206 -7.513 -5.326 1.00 0.64 C ATOM 705 CD1 LEU A 43 9.389 -8.789 -5.151 1.00 0.70 C ATOM 706 CD2 LEU A 43 9.475 -6.322 -4.728 1.00 0.80 C ATOM 0 H LEU A 43 10.903 -6.917 -2.419 1.00 0.63 H new ATOM 0 HA LEU A 43 11.201 -9.488 -3.665 1.00 0.68 H new ATOM 0 HB2 LEU A 43 11.971 -6.660 -4.449 1.00 0.62 H new ATOM 0 HB3 LEU A 43 12.280 -8.049 -5.472 1.00 0.62 H new ATOM 0 HG LEU A 43 10.330 -7.342 -6.395 1.00 0.64 H new ATOM 0 HD11 LEU A 43 8.404 -8.654 -5.598 1.00 0.70 H new ATOM 0 HD12 LEU A 43 9.900 -9.618 -5.641 1.00 0.70 H new ATOM 0 HD13 LEU A 43 9.279 -9.008 -4.089 1.00 0.70 H new ATOM 0 HD21 LEU A 43 8.485 -6.239 -5.178 1.00 0.80 H new ATOM 0 HD22 LEU A 43 9.374 -6.460 -3.651 1.00 0.80 H new ATOM 0 HD23 LEU A 43 10.041 -5.411 -4.926 1.00 0.80 H new ATOM 718 N PRO A 44 13.739 -9.936 -3.725 1.00 0.92 N ATOM 719 CA PRO A 44 13.023 -10.848 -4.618 1.00 0.99 C ATOM 720 C PRO A 44 12.343 -12.002 -3.882 1.00 1.15 C ATOM 721 O PRO A 44 11.762 -12.890 -4.508 1.00 1.43 O ATOM 722 CB PRO A 44 14.152 -11.376 -5.493 1.00 1.15 C ATOM 723 CG PRO A 44 15.324 -11.452 -4.571 1.00 1.25 C ATOM 724 CD PRO A 44 15.136 -10.363 -3.539 1.00 1.08 C ATOM 0 HA PRO A 44 12.212 -10.354 -5.152 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.909 -12.353 -5.910 1.00 1.15 H new ATOM 0 HB3 PRO A 44 14.349 -10.711 -6.334 1.00 1.15 H new ATOM 0 HG2 PRO A 44 15.379 -12.431 -4.095 1.00 1.25 H new ATOM 0 HG3 PRO A 44 16.256 -11.310 -5.118 1.00 1.25 H new ATOM 0 HD2 PRO A 44 15.309 -10.735 -2.529 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.830 -9.538 -3.698 1.00 1.08 H new ATOM 732 N ASN A 45 12.417 -11.995 -2.553 1.00 1.14 N ATOM 733 CA ASN A 45 11.810 -13.049 -1.750 1.00 1.33 C ATOM 734 C ASN A 45 10.860 -12.463 -0.711 1.00 1.43 C ATOM 735 O ASN A 45 11.178 -12.408 0.478 1.00 2.42 O ATOM 736 CB ASN A 45 12.897 -13.878 -1.061 1.00 1.66 C ATOM 737 CG ASN A 45 13.676 -14.736 -2.040 1.00 1.93 C ATOM 738 OD1 ASN A 45 13.184 -15.762 -2.509 1.00 2.66 O ATOM 739 ND2 ASN A 45 14.899 -14.321 -2.352 1.00 1.89 N ATOM 0 H ASN A 45 12.891 -11.272 -2.012 1.00 1.14 H new ATOM 0 HA ASN A 45 11.235 -13.695 -2.413 1.00 1.33 H new ATOM 0 HB2 ASN A 45 13.584 -13.211 -0.540 1.00 1.66 H new ATOM 0 HB3 ASN A 45 12.439 -14.517 -0.306 1.00 1.66 H new ATOM 0 HD21 ASN A 45 15.469 -14.859 -3.004 1.00 1.89 H new ATOM 0 HD22 ASN A 45 15.267 -13.464 -1.939 1.00 1.89 H new ATOM 746 N GLY A 46 9.693 -12.021 -1.170 1.00 0.90 N ATOM 747 CA GLY A 46 8.713 -11.439 -0.273 1.00 1.12 C ATOM 748 C GLY A 46 7.304 -11.917 -0.559 1.00 0.76 C ATOM 749 O GLY A 46 7.088 -12.743 -1.445 1.00 0.96 O ATOM 0 H GLY A 46 9.409 -12.056 -2.149 1.00 0.90 H new ATOM 0 HA2 GLY A 46 8.975 -11.687 0.756 1.00 1.12 H new ATOM 0 HA3 GLY A 46 8.748 -10.353 -0.358 1.00 1.12 H new ATOM 753 N ARG A 47 6.341 -11.392 0.193 1.00 0.80 N ATOM 754 CA ARG A 47 4.940 -11.765 0.016 1.00 0.76 C ATOM 755 C ARG A 47 4.024 -10.664 0.519 1.00 0.85 C ATOM 756 O ARG A 47 4.290 -10.036 1.543 1.00 1.71 O ATOM 757 CB ARG A 47 4.605 -13.075 0.737 1.00 0.99 C ATOM 758 CG ARG A 47 5.635 -13.505 1.768 1.00 1.31 C ATOM 759 CD ARG A 47 5.641 -12.585 2.979 1.00 1.11 C ATOM 760 NE ARG A 47 6.823 -12.789 3.813 1.00 1.41 N ATOM 761 CZ ARG A 47 7.263 -11.903 4.704 1.00 1.71 C ATOM 762 NH1 ARG A 47 6.620 -10.756 4.874 1.00 2.41 N ATOM 763 NH2 ARG A 47 8.345 -12.165 5.425 1.00 2.03 N ATOM 0 H ARG A 47 6.505 -10.707 0.931 1.00 0.80 H new ATOM 0 HA ARG A 47 4.781 -11.911 -1.052 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.639 -12.968 1.230 1.00 0.99 H new ATOM 0 HB3 ARG A 47 4.499 -13.867 -0.005 1.00 0.99 H new ATOM 0 HG2 ARG A 47 5.425 -14.526 2.088 1.00 1.31 H new ATOM 0 HG3 ARG A 47 6.625 -13.512 1.312 1.00 1.31 H new ATOM 0 HD2 ARG A 47 5.606 -11.547 2.647 1.00 1.11 H new ATOM 0 HD3 ARG A 47 4.744 -12.760 3.572 1.00 1.11 H new ATOM 0 HE ARG A 47 7.341 -13.661 3.706 1.00 1.41 H new ATOM 0 HH11 ARG A 47 5.787 -10.552 4.322 1.00 2.41 H new ATOM 0 HH12 ARG A 47 6.958 -10.078 5.557 1.00 2.41 H new ATOM 0 HH21 ARG A 47 8.842 -13.047 5.297 1.00 2.03 H new ATOM 0 HH22 ARG A 47 8.680 -11.485 6.107 1.00 2.03 H new ATOM 777 N TRP A 48 2.945 -10.440 -0.211 1.00 0.50 N ATOM 778 CA TRP A 48 1.981 -9.421 0.141 1.00 0.43 C ATOM 779 C TRP A 48 1.474 -9.624 1.559 1.00 0.45 C ATOM 780 O TRP A 48 0.662 -10.511 1.821 1.00 0.65 O ATOM 781 CB TRP A 48 0.813 -9.421 -0.837 1.00 0.47 C ATOM 782 CG TRP A 48 1.245 -9.348 -2.263 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.133 -10.334 -3.190 1.00 0.52 C ATOM 784 CD2 TRP A 48 1.854 -8.230 -2.931 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.632 -9.907 -4.390 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.084 -8.622 -4.259 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.229 -6.939 -2.542 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.670 -7.773 -5.197 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.810 -6.100 -3.472 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.027 -6.520 -4.786 1.00 0.38 C ATOM 0 H TRP A 48 2.716 -10.958 -1.059 1.00 0.50 H new ATOM 0 HA TRP A 48 2.481 -8.454 0.086 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.222 -10.325 -0.688 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.162 -8.575 -0.617 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.712 -11.312 -3.007 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.662 -10.459 -5.247 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.066 -6.604 -1.528 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.836 -8.095 -6.214 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.101 -5.102 -3.178 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.486 -5.842 -5.490 1.00 0.38 H new ATOM 801 N LEU A 49 1.958 -8.793 2.467 1.00 0.38 N ATOM 802 CA LEU A 49 1.559 -8.873 3.861 1.00 0.42 C ATOM 803 C LEU A 49 1.298 -7.481 4.427 1.00 0.36 C ATOM 804 O LEU A 49 2.199 -6.644 4.486 1.00 0.39 O ATOM 805 CB LEU A 49 2.643 -9.587 4.666 1.00 0.52 C ATOM 806 CG LEU A 49 2.186 -10.868 5.366 1.00 0.67 C ATOM 807 CD1 LEU A 49 0.988 -10.589 6.259 1.00 1.28 C ATOM 808 CD2 LEU A 49 1.853 -11.940 4.342 1.00 0.84 C ATOM 0 H LEU A 49 2.630 -8.053 2.262 1.00 0.38 H new ATOM 0 HA LEU A 49 0.633 -9.443 3.931 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.470 -9.830 3.999 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.031 -8.898 5.417 1.00 0.52 H new ATOM 0 HG LEU A 49 3.001 -11.231 5.992 1.00 0.67 H new ATOM 0 HD11 LEU A 49 0.677 -11.512 6.749 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.261 -9.852 7.014 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.166 -10.203 5.655 1.00 1.28 H new ATOM 0 HD21 LEU A 49 1.529 -12.845 4.855 1.00 0.84 H new ATOM 0 HD22 LEU A 49 1.053 -11.586 3.692 1.00 0.84 H new ATOM 0 HD23 LEU A 49 2.737 -12.159 3.743 1.00 0.84 H new ATOM 820 N LYS A 50 0.053 -7.242 4.835 1.00 0.40 N ATOM 821 CA LYS A 50 -0.345 -5.949 5.393 1.00 0.40 C ATOM 822 C LYS A 50 0.676 -5.445 6.411 1.00 0.47 C ATOM 823 O LYS A 50 0.598 -5.765 7.597 1.00 0.85 O ATOM 824 CB LYS A 50 -1.730 -6.040 6.041 1.00 0.59 C ATOM 825 CG LYS A 50 -2.050 -7.403 6.638 1.00 0.72 C ATOM 826 CD LYS A 50 -3.329 -7.366 7.460 1.00 1.03 C ATOM 827 CE LYS A 50 -3.174 -6.493 8.693 1.00 0.86 C ATOM 828 NZ LYS A 50 -2.060 -6.954 9.566 1.00 1.30 N ATOM 0 H LYS A 50 -0.700 -7.928 4.790 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.387 -5.236 4.569 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.802 -5.286 6.825 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.485 -5.796 5.294 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -2.151 -8.137 5.838 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -1.222 -7.729 7.267 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -4.146 -6.988 6.846 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -3.598 -8.378 7.761 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -2.992 -5.463 8.387 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -4.105 -6.498 9.260 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -2.162 -6.532 10.511 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -2.087 -7.991 9.645 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -1.151 -6.661 9.153 1.00 1.30 H new ATOM 842 N ALA A 51 1.633 -4.654 5.935 1.00 0.45 N ATOM 843 CA ALA A 51 2.669 -4.103 6.798 1.00 0.63 C ATOM 844 C ALA A 51 2.113 -3.001 7.695 1.00 0.55 C ATOM 845 O ALA A 51 2.728 -2.639 8.698 1.00 0.72 O ATOM 846 CB ALA A 51 3.827 -3.575 5.964 1.00 0.86 C ATOM 0 H ALA A 51 1.711 -4.381 4.955 1.00 0.45 H new ATOM 0 HA ALA A 51 3.034 -4.905 7.440 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.593 -3.166 6.623 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.251 -4.388 5.374 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.467 -2.792 5.296 1.00 0.86 H new ATOM 852 N ASN A 52 0.948 -2.468 7.335 1.00 0.42 N ATOM 853 CA ASN A 52 0.324 -1.410 8.117 1.00 0.43 C ATOM 854 C ASN A 52 -0.437 -1.991 9.306 1.00 0.59 C ATOM 855 O ASN A 52 -1.443 -2.680 9.136 1.00 1.60 O ATOM 856 CB ASN A 52 -0.617 -0.574 7.242 1.00 0.38 C ATOM 857 CG ASN A 52 -1.904 -1.302 6.897 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.917 -2.195 6.049 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.993 -0.923 7.559 1.00 0.62 N ATOM 0 H ASN A 52 0.420 -2.752 6.509 1.00 0.42 H new ATOM 0 HA ASN A 52 1.113 -0.761 8.497 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.858 0.354 7.760 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -0.102 -0.301 6.321 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.887 -1.377 7.373 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.934 -0.178 8.253 1.00 0.62 H new ATOM 866 N PHE A 53 0.048 -1.707 10.507 1.00 0.81 N ATOM 867 CA PHE A 53 -0.591 -2.202 11.718 1.00 0.82 C ATOM 868 C PHE A 53 -1.321 -1.073 12.442 1.00 0.84 C ATOM 869 O PHE A 53 -1.523 -1.126 13.655 1.00 1.20 O ATOM 870 CB PHE A 53 0.447 -2.841 12.644 1.00 0.96 C ATOM 871 CG PHE A 53 -0.050 -4.072 13.347 1.00 1.15 C ATOM 872 CD1 PHE A 53 -0.802 -5.017 12.670 1.00 1.32 C ATOM 873 CD2 PHE A 53 0.234 -4.282 14.688 1.00 1.68 C ATOM 874 CE1 PHE A 53 -1.261 -6.151 13.314 1.00 1.66 C ATOM 875 CE2 PHE A 53 -0.224 -5.414 15.338 1.00 2.08 C ATOM 876 CZ PHE A 53 -0.969 -6.351 14.647 1.00 1.96 C ATOM 0 H PHE A 53 0.879 -1.138 10.668 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.322 -2.959 11.435 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.332 -3.098 12.062 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.757 -2.108 13.389 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -1.033 -4.866 11.626 1.00 1.32 H new ATOM 0 HD2 PHE A 53 0.819 -3.554 15.231 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -1.848 -6.879 12.774 1.00 1.66 H new ATOM 0 HE2 PHE A 53 0.000 -5.565 16.384 1.00 2.08 H new ATOM 0 HZ PHE A 53 -1.322 -7.239 15.150 1.00 1.96 H new ATOM 886 N SER A 54 -1.715 -0.051 11.685 1.00 0.79 N ATOM 887 CA SER A 54 -2.422 1.093 12.247 1.00 0.89 C ATOM 888 C SER A 54 -3.734 1.337 11.506 1.00 0.95 C ATOM 889 O SER A 54 -4.247 0.449 10.827 1.00 1.89 O ATOM 890 CB SER A 54 -1.546 2.344 12.185 1.00 1.00 C ATOM 891 OG SER A 54 -1.453 2.840 10.860 1.00 1.71 O ATOM 0 H SER A 54 -1.555 0.006 10.679 1.00 0.79 H new ATOM 0 HA SER A 54 -2.649 0.872 13.290 1.00 0.89 H new ATOM 0 HB2 SER A 54 -1.960 3.114 12.836 1.00 1.00 H new ATOM 0 HB3 SER A 54 -0.549 2.112 12.560 1.00 1.00 H new ATOM 0 HG SER A 54 -0.889 3.641 10.849 1.00 1.71 H new ATOM 897 N ASN A 55 -4.273 2.545 11.643 1.00 0.75 N ATOM 898 CA ASN A 55 -5.526 2.901 10.987 1.00 0.69 C ATOM 899 C ASN A 55 -5.283 3.830 9.802 1.00 0.66 C ATOM 900 O ASN A 55 -5.306 5.052 9.944 1.00 1.05 O ATOM 901 CB ASN A 55 -6.473 3.567 11.987 1.00 0.84 C ATOM 902 CG ASN A 55 -7.917 3.158 11.776 1.00 1.11 C ATOM 903 OD1 ASN A 55 -8.342 3.121 10.519 1.00 1.87 O flip ATOM 904 ND2 ASN A 55 -8.641 2.878 12.731 1.00 0.83 N flip ATOM 0 H ASN A 55 -3.862 3.293 12.202 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.983 1.985 10.613 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -6.169 3.306 13.001 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -6.388 4.650 11.898 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -8.271 2.920 13.681 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -9.611 2.604 12.573 1.00 0.83 H new ATOM 911 N ILE A 56 -5.051 3.241 8.633 1.00 0.40 N ATOM 912 CA ILE A 56 -4.806 4.018 7.425 1.00 0.33 C ATOM 913 C ILE A 56 -6.102 4.612 6.883 1.00 0.31 C ATOM 914 O ILE A 56 -6.530 4.293 5.774 1.00 0.53 O ATOM 915 CB ILE A 56 -4.139 3.162 6.328 1.00 0.32 C ATOM 916 CG1 ILE A 56 -2.897 2.462 6.896 1.00 0.43 C ATOM 917 CG2 ILE A 56 -3.791 4.032 5.126 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.039 1.775 5.855 1.00 0.69 C ATOM 0 H ILE A 56 -5.028 2.230 8.498 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.128 4.826 7.700 1.00 0.33 H new ATOM 0 HB ILE A 56 -4.835 2.393 5.992 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.289 3.197 7.423 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.215 1.724 7.632 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.321 3.419 4.357 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.700 4.481 4.726 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.103 4.819 5.434 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.183 1.306 6.341 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.628 1.014 5.343 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.687 2.510 5.131 1.00 0.69 H new ATOM 930 N LEU A 57 -6.724 5.479 7.679 1.00 0.44 N ATOM 931 CA LEU A 57 -7.974 6.122 7.289 1.00 0.45 C ATOM 932 C LEU A 57 -7.872 6.716 5.887 1.00 0.42 C ATOM 933 O LEU A 57 -8.406 6.159 4.929 1.00 0.60 O ATOM 934 CB LEU A 57 -8.345 7.216 8.297 1.00 0.48 C ATOM 935 CG LEU A 57 -9.585 6.922 9.146 1.00 0.85 C ATOM 936 CD1 LEU A 57 -9.765 7.990 10.215 1.00 1.60 C ATOM 937 CD2 LEU A 57 -10.823 6.831 8.266 1.00 0.72 C ATOM 0 H LEU A 57 -6.381 5.752 8.600 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.756 5.363 7.282 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -7.497 7.378 8.963 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.507 8.148 7.755 1.00 0.48 H new ATOM 0 HG LEU A 57 -9.444 5.961 9.642 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -10.651 7.765 10.809 1.00 1.60 H new ATOM 0 HD12 LEU A 57 -8.889 8.007 10.863 1.00 1.60 H new ATOM 0 HD13 LEU A 57 -9.884 8.964 9.740 1.00 1.60 H new ATOM 0 HD21 LEU A 57 -11.695 6.622 8.885 1.00 0.72 H new ATOM 0 HD22 LEU A 57 -10.968 7.776 7.743 1.00 0.72 H new ATOM 0 HD23 LEU A 57 -10.694 6.030 7.538 1.00 0.72 H new ATOM 949 N GLU A 58 -7.181 7.844 5.774 1.00 0.39 N ATOM 950 CA GLU A 58 -7.009 8.505 4.490 1.00 0.43 C ATOM 951 C GLU A 58 -6.262 7.604 3.516 1.00 0.51 C ATOM 952 O GLU A 58 -5.900 6.478 3.850 1.00 1.09 O ATOM 953 CB GLU A 58 -6.256 9.823 4.666 1.00 0.44 C ATOM 954 CG GLU A 58 -4.971 9.686 5.465 1.00 0.44 C ATOM 955 CD GLU A 58 -5.081 10.287 6.853 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.869 11.241 7.026 1.00 1.29 O ATOM 957 OE2 GLU A 58 -4.379 9.805 7.765 1.00 1.54 O ATOM 0 H GLU A 58 -6.731 8.319 6.557 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.997 8.715 4.081 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.021 10.232 3.683 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.908 10.541 5.163 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.711 8.631 5.549 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.158 10.173 4.926 1.00 0.44 H new ATOM 964 N ASN A 59 -6.039 8.110 2.312 1.00 0.31 N ATOM 965 CA ASN A 59 -5.337 7.351 1.283 1.00 0.28 C ATOM 966 C ASN A 59 -3.842 7.668 1.280 1.00 0.28 C ATOM 967 O ASN A 59 -3.139 7.372 0.314 1.00 0.49 O ATOM 968 CB ASN A 59 -5.941 7.649 -0.087 1.00 0.32 C ATOM 969 CG ASN A 59 -5.941 9.130 -0.404 1.00 0.86 C ATOM 970 OD1 ASN A 59 -5.108 9.883 0.103 1.00 1.75 O ATOM 971 ND2 ASN A 59 -6.877 9.558 -1.243 1.00 0.91 N ATOM 0 H ASN A 59 -6.333 9.043 2.022 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.453 6.290 1.506 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.379 7.115 -0.853 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -6.963 7.272 -0.121 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -6.926 10.546 -1.491 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.547 8.899 -1.639 1.00 0.91 H new ATOM 978 N GLU A 60 -3.360 8.262 2.369 1.00 0.29 N ATOM 979 CA GLU A 60 -1.951 8.609 2.495 1.00 0.29 C ATOM 980 C GLU A 60 -1.336 7.861 3.671 1.00 0.27 C ATOM 981 O GLU A 60 -1.625 8.162 4.829 1.00 0.35 O ATOM 982 CB GLU A 60 -1.786 10.118 2.687 1.00 0.34 C ATOM 983 CG GLU A 60 -0.358 10.602 2.497 1.00 0.49 C ATOM 984 CD GLU A 60 -0.055 10.983 1.060 1.00 1.26 C ATOM 985 OE1 GLU A 60 -0.406 12.112 0.659 1.00 1.91 O ATOM 986 OE2 GLU A 60 0.535 10.153 0.338 1.00 2.05 O ATOM 0 H GLU A 60 -3.928 8.513 3.178 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.436 8.319 1.579 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.434 10.639 1.982 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.122 10.388 3.688 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.182 11.463 3.142 1.00 0.49 H new ATOM 0 HG3 GLU A 60 0.332 9.820 2.814 1.00 0.49 H new ATOM 993 N PHE A 61 -0.497 6.878 3.368 1.00 0.24 N ATOM 994 CA PHE A 61 0.142 6.085 4.410 1.00 0.24 C ATOM 995 C PHE A 61 1.587 5.765 4.056 1.00 0.24 C ATOM 996 O PHE A 61 2.009 5.916 2.910 1.00 0.25 O ATOM 997 CB PHE A 61 -0.644 4.786 4.631 1.00 0.28 C ATOM 998 CG PHE A 61 0.057 3.782 5.502 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.020 3.871 6.882 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.795 2.751 4.941 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.625 2.952 7.686 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.441 1.832 5.739 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.356 1.929 7.113 1.00 0.48 C ATOM 0 H PHE A 61 -0.245 6.612 2.416 1.00 0.24 H new ATOM 0 HA PHE A 61 0.143 6.671 5.329 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.607 5.029 5.079 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.849 4.330 3.663 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.591 4.668 7.334 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.864 2.667 3.866 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.558 3.033 8.761 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.014 1.035 5.289 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.860 1.207 7.739 1.00 0.48 H new ATOM 1013 N THR A 62 2.338 5.312 5.054 1.00 0.25 N ATOM 1014 CA THR A 62 3.727 4.959 4.859 1.00 0.27 C ATOM 1015 C THR A 62 4.002 3.556 5.367 1.00 0.29 C ATOM 1016 O THR A 62 3.886 3.278 6.560 1.00 0.35 O ATOM 1017 CB THR A 62 4.643 5.966 5.556 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.249 7.292 5.255 1.00 0.42 O ATOM 1019 CG2 THR A 62 6.099 5.820 5.169 1.00 0.37 C ATOM 0 H THR A 62 2.000 5.183 6.008 1.00 0.25 H new ATOM 0 HA THR A 62 3.935 4.985 3.789 1.00 0.27 H new ATOM 0 HB THR A 62 4.545 5.756 6.621 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.690 7.912 5.872 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.693 6.564 5.699 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.448 4.822 5.434 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.207 5.968 4.095 1.00 0.37 H new ATOM 1027 N VAL A 63 4.366 2.673 4.447 1.00 0.31 N ATOM 1028 CA VAL A 63 4.653 1.297 4.801 1.00 0.36 C ATOM 1029 C VAL A 63 6.004 1.171 5.483 1.00 0.38 C ATOM 1030 O VAL A 63 6.981 1.806 5.080 1.00 0.50 O ATOM 1031 CB VAL A 63 4.638 0.372 3.579 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.763 -1.074 4.034 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.375 0.586 2.757 1.00 0.58 C ATOM 0 H VAL A 63 4.468 2.887 3.455 1.00 0.31 H new ATOM 0 HA VAL A 63 3.863 0.992 5.487 1.00 0.36 H new ATOM 0 HB VAL A 63 5.487 0.610 2.939 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.752 -1.731 3.165 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.699 -1.205 4.576 1.00 1.08 H new ATOM 0 HG13 VAL A 63 3.927 -1.323 4.688 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.385 -0.080 1.895 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.500 0.372 3.371 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.334 1.620 2.416 1.00 0.58 H new ATOM 1043 N SER A 64 6.053 0.340 6.513 1.00 0.49 N ATOM 1044 CA SER A 64 7.281 0.116 7.252 1.00 0.55 C ATOM 1045 C SER A 64 7.629 -1.365 7.276 1.00 0.63 C ATOM 1046 O SER A 64 7.011 -2.176 6.584 1.00 0.99 O ATOM 1047 CB SER A 64 7.153 0.649 8.679 1.00 0.63 C ATOM 1048 OG SER A 64 6.285 -0.162 9.452 1.00 1.33 O ATOM 0 H SER A 64 5.252 -0.191 6.855 1.00 0.49 H new ATOM 0 HA SER A 64 8.084 0.654 6.749 1.00 0.55 H new ATOM 0 HB2 SER A 64 8.137 0.683 9.147 1.00 0.63 H new ATOM 0 HB3 SER A 64 6.776 1.671 8.656 1.00 0.63 H new ATOM 0 HG SER A 64 6.222 0.200 10.361 1.00 1.33 H new ATOM 1054 N GLY A 65 8.625 -1.704 8.074 1.00 0.71 N ATOM 1055 CA GLY A 65 9.061 -3.080 8.185 1.00 0.78 C ATOM 1056 C GLY A 65 10.001 -3.483 7.064 1.00 0.72 C ATOM 1057 O GLY A 65 10.445 -4.630 7.002 1.00 0.90 O ATOM 0 H GLY A 65 9.145 -1.045 8.653 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.561 -3.223 9.143 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.190 -3.736 8.178 1.00 0.78 H new ATOM 1061 N LEU A 66 10.303 -2.542 6.169 1.00 0.64 N ATOM 1062 CA LEU A 66 11.184 -2.811 5.047 1.00 0.65 C ATOM 1063 C LEU A 66 12.632 -2.980 5.491 1.00 0.59 C ATOM 1064 O LEU A 66 13.010 -2.601 6.599 1.00 0.65 O ATOM 1065 CB LEU A 66 11.086 -1.673 4.037 1.00 0.74 C ATOM 1066 CG LEU A 66 9.793 -1.650 3.223 1.00 0.89 C ATOM 1067 CD1 LEU A 66 8.583 -1.877 4.112 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.664 -0.339 2.465 1.00 0.89 C ATOM 0 H LEU A 66 9.947 -1.587 6.205 1.00 0.64 H new ATOM 0 HA LEU A 66 10.866 -3.747 4.589 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.182 -0.726 4.567 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.930 -1.741 3.351 1.00 0.74 H new ATOM 0 HG LEU A 66 9.834 -2.465 2.500 1.00 0.89 H new ATOM 0 HD11 LEU A 66 7.677 -1.855 3.506 1.00 1.47 H new ATOM 0 HD12 LEU A 66 8.669 -2.847 4.602 1.00 1.47 H new ATOM 0 HD13 LEU A 66 8.533 -1.092 4.867 1.00 1.47 H new ATOM 0 HD21 LEU A 66 8.737 -0.340 1.891 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.652 0.490 3.172 1.00 0.89 H new ATOM 0 HD23 LEU A 66 10.510 -0.226 1.788 1.00 0.89 H new ATOM 1080 N THR A 67 13.435 -3.548 4.601 1.00 0.65 N ATOM 1081 CA THR A 67 14.849 -3.771 4.865 1.00 0.69 C ATOM 1082 C THR A 67 15.682 -3.212 3.720 1.00 0.72 C ATOM 1083 O THR A 67 15.632 -3.716 2.598 1.00 1.06 O ATOM 1084 CB THR A 67 15.133 -5.262 5.049 1.00 0.75 C ATOM 1085 OG1 THR A 67 14.238 -5.828 5.990 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.540 -5.548 5.523 1.00 0.99 C ATOM 0 H THR A 67 13.127 -3.865 3.682 1.00 0.65 H new ATOM 0 HA THR A 67 15.119 -3.256 5.787 1.00 0.69 H new ATOM 0 HB THR A 67 15.003 -5.707 4.062 1.00 0.75 H new ATOM 0 HG1 THR A 67 14.433 -6.783 6.094 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.675 -6.624 5.633 1.00 0.99 H new ATOM 0 HG22 THR A 67 17.254 -5.165 4.794 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.706 -5.061 6.484 1.00 0.99 H new ATOM 1094 N GLU A 68 16.435 -2.157 4.005 1.00 0.66 N ATOM 1095 CA GLU A 68 17.270 -1.506 2.997 1.00 0.67 C ATOM 1096 C GLU A 68 17.977 -2.508 2.091 1.00 0.60 C ATOM 1097 O GLU A 68 18.277 -3.632 2.493 1.00 0.69 O ATOM 1098 CB GLU A 68 18.294 -0.589 3.671 1.00 0.76 C ATOM 1099 CG GLU A 68 18.728 0.583 2.805 1.00 0.96 C ATOM 1100 CD GLU A 68 19.999 1.237 3.306 1.00 1.32 C ATOM 1101 OE1 GLU A 68 21.046 0.556 3.336 1.00 1.91 O ATOM 1102 OE2 GLU A 68 19.949 2.432 3.671 1.00 1.89 O ATOM 0 H GLU A 68 16.486 -1.730 4.930 1.00 0.66 H new ATOM 0 HA GLU A 68 16.608 -0.913 2.366 1.00 0.67 H new ATOM 0 HB2 GLU A 68 17.870 -0.206 4.599 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.172 -1.176 3.940 1.00 0.76 H new ATOM 0 HG2 GLU A 68 18.880 0.238 1.782 1.00 0.96 H new ATOM 0 HG3 GLU A 68 17.929 1.324 2.776 1.00 0.96 H new ATOM 1109 N ASP A 69 18.235 -2.079 0.856 1.00 0.52 N ATOM 1110 CA ASP A 69 18.903 -2.918 -0.132 1.00 0.49 C ATOM 1111 C ASP A 69 17.966 -4.006 -0.639 1.00 0.44 C ATOM 1112 O ASP A 69 18.379 -5.149 -0.840 1.00 0.54 O ATOM 1113 CB ASP A 69 20.163 -3.546 0.465 1.00 0.59 C ATOM 1114 CG ASP A 69 20.296 -5.015 0.116 1.00 1.06 C ATOM 1115 OD1 ASP A 69 19.727 -5.852 0.847 1.00 1.87 O ATOM 1116 OD2 ASP A 69 20.968 -5.329 -0.890 1.00 1.66 O ATOM 0 H ASP A 69 17.989 -1.149 0.517 1.00 0.52 H new ATOM 0 HA ASP A 69 19.189 -2.288 -0.974 1.00 0.49 H new ATOM 0 HB2 ASP A 69 21.040 -3.009 0.104 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.144 -3.433 1.549 1.00 0.59 H new ATOM 1121 N ALA A 70 16.701 -3.649 -0.845 1.00 0.40 N ATOM 1122 CA ALA A 70 15.716 -4.606 -1.328 1.00 0.40 C ATOM 1123 C ALA A 70 14.510 -3.902 -1.934 1.00 0.35 C ATOM 1124 O ALA A 70 13.987 -2.944 -1.365 1.00 0.36 O ATOM 1125 CB ALA A 70 15.278 -5.522 -0.195 1.00 0.49 C ATOM 0 H ALA A 70 16.338 -2.709 -0.685 1.00 0.40 H new ATOM 0 HA ALA A 70 16.182 -5.204 -2.111 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.541 -6.234 -0.567 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.142 -6.062 0.191 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.836 -4.927 0.604 1.00 0.49 H new ATOM 1131 N ALA A 71 14.069 -4.387 -3.089 1.00 0.33 N ATOM 1132 CA ALA A 71 12.918 -3.809 -3.767 1.00 0.30 C ATOM 1133 C ALA A 71 11.632 -4.209 -3.054 1.00 0.27 C ATOM 1134 O ALA A 71 11.411 -5.387 -2.775 1.00 0.36 O ATOM 1135 CB ALA A 71 12.881 -4.250 -5.222 1.00 0.34 C ATOM 0 H ALA A 71 14.492 -5.178 -3.574 1.00 0.33 H new ATOM 0 HA ALA A 71 13.007 -2.723 -3.741 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.014 -3.809 -5.714 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.790 -3.921 -5.725 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.812 -5.337 -5.271 1.00 0.34 H new ATOM 1141 N TYR A 72 10.791 -3.229 -2.749 1.00 0.24 N ATOM 1142 CA TYR A 72 9.538 -3.503 -2.057 1.00 0.24 C ATOM 1143 C TYR A 72 8.331 -2.974 -2.826 1.00 0.21 C ATOM 1144 O TYR A 72 8.197 -1.769 -3.042 1.00 0.23 O ATOM 1145 CB TYR A 72 9.567 -2.889 -0.658 1.00 0.30 C ATOM 1146 CG TYR A 72 10.345 -3.702 0.351 1.00 0.31 C ATOM 1147 CD1 TYR A 72 11.711 -3.519 0.511 1.00 0.36 C ATOM 1148 CD2 TYR A 72 9.713 -4.651 1.144 1.00 0.49 C ATOM 1149 CE1 TYR A 72 12.426 -4.257 1.431 1.00 0.42 C ATOM 1150 CE2 TYR A 72 10.422 -5.395 2.067 1.00 0.56 C ATOM 1151 CZ TYR A 72 11.778 -5.193 2.206 1.00 0.46 C ATOM 1152 OH TYR A 72 12.487 -5.931 3.124 1.00 0.56 O ATOM 0 H TYR A 72 10.951 -2.246 -2.967 1.00 0.24 H new ATOM 0 HA TYR A 72 9.437 -4.586 -1.984 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.001 -1.891 -0.719 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.543 -2.770 -0.303 1.00 0.30 H new ATOM 0 HD1 TYR A 72 12.223 -2.786 -0.095 1.00 0.36 H new ATOM 0 HD2 TYR A 72 8.650 -4.810 1.037 1.00 0.49 H new ATOM 0 HE1 TYR A 72 13.489 -4.102 1.543 1.00 0.42 H new ATOM 0 HE2 TYR A 72 9.917 -6.130 2.676 1.00 0.56 H new ATOM 0 HH TYR A 72 11.881 -6.545 3.588 1.00 0.56 H new ATOM 1162 N GLU A 73 7.447 -3.885 -3.223 1.00 0.21 N ATOM 1163 CA GLU A 73 6.236 -3.520 -3.950 1.00 0.21 C ATOM 1164 C GLU A 73 5.057 -3.530 -2.991 1.00 0.23 C ATOM 1165 O GLU A 73 4.930 -4.448 -2.181 1.00 0.32 O ATOM 1166 CB GLU A 73 5.982 -4.495 -5.101 1.00 0.25 C ATOM 1167 CG GLU A 73 6.762 -4.168 -6.361 1.00 0.65 C ATOM 1168 CD GLU A 73 5.869 -4.010 -7.575 1.00 0.68 C ATOM 1169 OE1 GLU A 73 4.709 -3.580 -7.407 1.00 1.50 O ATOM 1170 OE2 GLU A 73 6.330 -4.318 -8.694 1.00 1.32 O ATOM 0 H GLU A 73 7.548 -4.886 -3.052 1.00 0.21 H new ATOM 0 HA GLU A 73 6.361 -2.522 -4.371 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.240 -5.503 -4.776 1.00 0.25 H new ATOM 0 HB3 GLU A 73 4.917 -4.499 -5.334 1.00 0.25 H new ATOM 0 HG2 GLU A 73 7.325 -3.248 -6.207 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.489 -4.958 -6.549 1.00 0.65 H new ATOM 1177 N PHE A 74 4.200 -2.513 -3.051 1.00 0.22 N ATOM 1178 CA PHE A 74 3.061 -2.480 -2.118 1.00 0.28 C ATOM 1179 C PHE A 74 1.698 -2.222 -2.772 1.00 0.25 C ATOM 1180 O PHE A 74 1.478 -1.184 -3.390 1.00 0.30 O ATOM 1181 CB PHE A 74 3.283 -1.427 -1.020 1.00 0.39 C ATOM 1182 CG PHE A 74 4.718 -1.028 -0.803 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.301 -0.041 -1.577 1.00 0.52 C ATOM 1184 CD2 PHE A 74 5.479 -1.649 0.173 1.00 0.42 C ATOM 1185 CE1 PHE A 74 6.621 0.320 -1.380 1.00 0.60 C ATOM 1186 CE2 PHE A 74 6.797 -1.292 0.373 1.00 0.49 C ATOM 1187 CZ PHE A 74 7.362 -0.280 -0.403 1.00 0.53 C ATOM 0 H PHE A 74 4.260 -1.730 -3.702 1.00 0.22 H new ATOM 0 HA PHE A 74 3.026 -3.486 -1.699 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.708 -0.536 -1.270 1.00 0.39 H new ATOM 0 HB3 PHE A 74 2.883 -1.812 -0.082 1.00 0.39 H new ATOM 0 HD1 PHE A 74 4.720 0.452 -2.342 1.00 0.52 H new ATOM 0 HD2 PHE A 74 5.036 -2.421 0.784 1.00 0.42 H new ATOM 0 HE1 PHE A 74 7.068 1.081 -2.002 1.00 0.60 H new ATOM 0 HE2 PHE A 74 7.387 -1.793 1.126 1.00 0.49 H new ATOM 0 HZ PHE A 74 8.383 0.028 -0.231 1.00 0.53 H new ATOM 1197 N ARG A 75 0.766 -3.165 -2.570 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.604 -3.026 -3.085 1.00 0.34 C ATOM 1199 C ARG A 75 -1.523 -2.670 -1.924 1.00 0.31 C ATOM 1200 O ARG A 75 -1.208 -2.987 -0.780 1.00 0.45 O ATOM 1201 CB ARG A 75 -1.124 -4.294 -3.797 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.710 -5.640 -3.199 1.00 0.94 C ATOM 1203 CD ARG A 75 -0.412 -6.644 -4.309 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.850 -8.009 -4.011 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.392 -8.848 -4.900 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -1.569 -8.446 -6.153 1.00 1.87 N ATOM 1207 NH2 ARG A 75 -1.761 -10.078 -4.552 1.00 2.11 N ATOM 0 H ARG A 75 0.935 -4.029 -2.055 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.594 -2.238 -3.838 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -2.213 -4.251 -3.815 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.787 -4.264 -4.833 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.171 -5.511 -2.570 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -1.505 -6.021 -2.559 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -0.897 -6.310 -5.226 1.00 1.08 H new ATOM 0 HD3 ARG A 75 0.661 -6.651 -4.500 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.733 -8.345 -3.055 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -1.292 -7.504 -6.430 1.00 1.87 H new ATOM 0 HH12 ARG A 75 -1.982 -9.079 -6.838 1.00 1.87 H new ATOM 0 HH21 ARG A 75 -1.632 -10.397 -3.592 1.00 2.11 H new ATOM 0 HH22 ARG A 75 -2.173 -10.702 -5.246 1.00 2.11 H new ATOM 1221 N VAL A 76 -2.652 -2.007 -2.185 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.543 -1.640 -1.077 1.00 0.39 C ATOM 1223 C VAL A 76 -4.895 -2.351 -1.124 1.00 0.31 C ATOM 1224 O VAL A 76 -5.683 -2.191 -2.056 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.699 -0.083 -0.887 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -3.059 0.693 -2.021 1.00 0.54 C ATOM 1227 CG2 VAL A 76 -5.144 0.377 -0.681 1.00 0.47 C ATOM 0 H VAL A 76 -2.964 -1.722 -3.113 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.037 -2.006 -0.184 1.00 0.39 H new ATOM 0 HB VAL A 76 -3.166 0.138 0.038 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -3.190 1.762 -1.850 1.00 0.54 H new ATOM 0 HG12 VAL A 76 -1.995 0.460 -2.066 1.00 0.54 H new ATOM 0 HG13 VAL A 76 -3.531 0.416 -2.963 1.00 0.54 H new ATOM 0 HG21 VAL A 76 -5.167 1.460 -0.558 1.00 0.47 H new ATOM 0 HG22 VAL A 76 -5.742 0.097 -1.548 1.00 0.47 H new ATOM 0 HG23 VAL A 76 -5.554 -0.098 0.210 1.00 0.47 H new ATOM 1237 N ILE A 77 -5.141 -3.115 -0.066 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.367 -3.850 0.119 1.00 0.31 C ATOM 1239 C ILE A 77 -7.116 -3.204 1.280 1.00 0.30 C ATOM 1240 O ILE A 77 -6.489 -2.642 2.169 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.063 -5.331 0.446 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.529 -6.057 -0.785 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.287 -6.044 0.985 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -4.821 -7.348 -0.445 1.00 0.42 C ATOM 0 H ILE A 77 -4.475 -3.237 0.697 1.00 0.33 H new ATOM 0 HA ILE A 77 -6.966 -3.824 -0.791 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.297 -5.344 1.222 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.356 -6.270 -1.463 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.841 -5.401 -1.318 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.037 -7.082 1.204 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -7.622 -5.552 1.898 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.084 -6.012 0.242 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.463 -7.819 -1.361 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -3.975 -7.138 0.209 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.513 -8.020 0.062 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.435 -3.263 1.291 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.163 -2.642 2.392 1.00 0.30 C ATOM 1258 C ALA A 78 -10.631 -3.025 2.432 1.00 0.34 C ATOM 1259 O ALA A 78 -11.352 -2.869 1.446 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.032 -1.132 2.309 1.00 0.39 C ATOM 0 H ALA A 78 -9.011 -3.716 0.581 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.714 -3.014 3.313 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.578 -0.674 3.134 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -7.980 -0.854 2.371 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.444 -0.783 1.362 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.078 -3.495 3.593 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.480 -3.858 3.761 1.00 0.43 C ATOM 1268 C LYS A 79 -13.263 -2.616 4.129 1.00 0.59 C ATOM 1269 O LYS A 79 -13.558 -2.370 5.298 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.695 -4.950 4.810 1.00 0.56 C ATOM 1271 CG LYS A 79 -11.548 -5.136 5.789 1.00 1.07 C ATOM 1272 CD LYS A 79 -12.014 -5.831 7.058 1.00 1.50 C ATOM 1273 CE LYS A 79 -11.901 -7.342 6.939 1.00 1.71 C ATOM 1274 NZ LYS A 79 -13.233 -8.006 6.983 1.00 1.98 N ATOM 0 H LYS A 79 -10.498 -3.632 4.421 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.833 -4.271 2.816 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -13.599 -4.719 5.373 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -12.872 -5.895 4.297 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -10.758 -5.722 5.320 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -11.119 -4.166 6.039 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -11.418 -5.486 7.903 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -13.049 -5.558 7.265 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -11.400 -7.596 6.005 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -11.279 -7.724 7.748 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -13.111 -9.035 6.899 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -13.701 -7.786 7.885 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -13.819 -7.661 6.196 1.00 1.98 H new ATOM 1288 N ASN A 80 -13.562 -1.842 3.092 1.00 0.65 N ATOM 1289 CA ASN A 80 -14.292 -0.576 3.187 1.00 0.70 C ATOM 1290 C ASN A 80 -15.054 -0.383 4.504 1.00 0.87 C ATOM 1291 O ASN A 80 -14.491 0.121 5.475 1.00 1.55 O ATOM 1292 CB ASN A 80 -15.223 -0.437 1.989 1.00 0.67 C ATOM 1293 CG ASN A 80 -14.460 -0.468 0.676 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -13.242 -0.648 0.658 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -15.172 -0.292 -0.430 1.00 2.05 N ATOM 0 H ASN A 80 -13.298 -2.081 2.136 1.00 0.65 H new ATOM 0 HA ASN A 80 -13.545 0.218 3.178 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -15.956 -1.244 2.003 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -15.777 0.499 2.066 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -14.712 -0.303 -1.340 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -16.180 -0.146 -0.370 1.00 2.05 H new ATOM 1302 N ALA A 81 -16.326 -0.764 4.539 1.00 0.76 N ATOM 1303 CA ALA A 81 -17.123 -0.594 5.752 1.00 0.82 C ATOM 1304 C ALA A 81 -17.834 -1.875 6.185 1.00 0.88 C ATOM 1305 O ALA A 81 -17.794 -2.245 7.359 1.00 1.08 O ATOM 1306 CB ALA A 81 -18.139 0.521 5.553 1.00 0.83 C ATOM 0 H ALA A 81 -16.823 -1.187 3.755 1.00 0.76 H new ATOM 0 HA ALA A 81 -16.430 -0.332 6.551 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -18.729 0.642 6.461 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -17.618 1.453 5.332 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -18.798 0.268 4.723 1.00 0.83 H new ATOM 1312 N ALA A 82 -18.502 -2.538 5.249 1.00 0.81 N ATOM 1313 CA ALA A 82 -19.236 -3.759 5.565 1.00 0.90 C ATOM 1314 C ALA A 82 -18.460 -5.016 5.181 1.00 0.88 C ATOM 1315 O ALA A 82 -19.027 -5.954 4.620 1.00 1.06 O ATOM 1316 CB ALA A 82 -20.587 -3.738 4.869 1.00 0.94 C ATOM 0 H ALA A 82 -18.551 -2.254 4.271 1.00 0.81 H new ATOM 0 HA ALA A 82 -19.379 -3.790 6.645 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.133 -4.651 5.107 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.158 -2.874 5.210 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.440 -3.674 3.791 1.00 0.94 H new ATOM 1322 N GLY A 83 -17.166 -5.039 5.488 1.00 0.82 N ATOM 1323 CA GLY A 83 -16.354 -6.196 5.164 1.00 0.86 C ATOM 1324 C GLY A 83 -15.984 -6.276 3.692 1.00 0.78 C ATOM 1325 O GLY A 83 -15.247 -7.175 3.289 1.00 0.93 O ATOM 0 H GLY A 83 -16.668 -4.280 5.953 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -15.442 -6.170 5.760 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -16.893 -7.100 5.446 1.00 0.86 H new ATOM 1329 N ALA A 84 -16.488 -5.340 2.887 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.187 -5.324 1.460 1.00 0.78 C ATOM 1331 C ALA A 84 -14.687 -5.211 1.248 1.00 0.76 C ATOM 1332 O ALA A 84 -14.152 -4.115 1.098 1.00 1.38 O ATOM 1333 CB ALA A 84 -16.910 -4.172 0.777 1.00 0.92 C ATOM 0 H ALA A 84 -17.103 -4.588 3.199 1.00 0.72 H new ATOM 0 HA ALA A 84 -16.535 -6.257 1.016 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -16.675 -4.175 -0.287 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -17.986 -4.287 0.911 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -16.588 -3.228 1.218 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.009 -6.352 1.255 1.00 0.50 N ATOM 1340 CA ILE A 85 -12.566 -6.381 1.083 1.00 0.40 C ATOM 1341 C ILE A 85 -12.140 -5.932 -0.307 1.00 0.38 C ATOM 1342 O ILE A 85 -12.459 -6.576 -1.307 1.00 0.48 O ATOM 1343 CB ILE A 85 -11.984 -7.788 1.374 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.483 -7.694 1.650 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.256 -8.753 0.221 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.120 -7.915 3.102 1.00 0.79 C ATOM 0 H ILE A 85 -14.438 -7.269 1.378 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.163 -5.674 1.808 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.482 -8.181 2.260 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -9.963 -8.430 1.038 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.126 -6.712 1.340 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -11.835 -9.730 0.457 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.332 -8.848 0.072 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -11.796 -8.370 -0.690 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.040 -7.834 3.223 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.612 -7.163 3.719 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.446 -8.908 3.412 1.00 0.79 H new ATOM 1358 N SER A 86 -11.396 -4.839 -0.358 1.00 0.39 N ATOM 1359 CA SER A 86 -10.898 -4.331 -1.620 1.00 0.45 C ATOM 1360 C SER A 86 -9.665 -5.142 -1.990 1.00 0.44 C ATOM 1361 O SER A 86 -8.639 -5.042 -1.320 1.00 0.43 O ATOM 1362 CB SER A 86 -10.557 -2.843 -1.513 1.00 0.54 C ATOM 1363 OG SER A 86 -9.634 -2.458 -2.515 1.00 0.59 O ATOM 0 H SER A 86 -11.126 -4.290 0.458 1.00 0.39 H new ATOM 0 HA SER A 86 -11.661 -4.429 -2.392 1.00 0.45 H new ATOM 0 HB2 SER A 86 -11.467 -2.251 -1.606 1.00 0.54 H new ATOM 0 HB3 SER A 86 -10.139 -2.633 -0.529 1.00 0.54 H new ATOM 0 HG SER A 86 -8.741 -2.369 -2.121 1.00 0.59 H new ATOM 1369 N PRO A 87 -9.750 -5.980 -3.038 1.00 0.52 N ATOM 1370 CA PRO A 87 -8.632 -6.831 -3.456 1.00 0.61 C ATOM 1371 C PRO A 87 -7.360 -6.045 -3.761 1.00 0.54 C ATOM 1372 O PRO A 87 -7.397 -4.830 -3.954 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.164 -7.547 -4.704 1.00 0.85 C ATOM 1374 CG PRO A 87 -10.337 -6.743 -5.143 1.00 0.74 C ATOM 1375 CD PRO A 87 -10.935 -6.187 -3.886 1.00 0.59 C ATOM 0 HA PRO A 87 -8.332 -7.516 -2.663 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -8.405 -7.595 -5.485 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.453 -8.573 -4.477 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -10.034 -5.944 -5.820 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.057 -7.360 -5.680 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -11.472 -5.256 -4.069 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -11.644 -6.880 -3.432 1.00 0.59 H new ATOM 1383 N PRO A 88 -6.210 -6.744 -3.801 1.00 0.55 N ATOM 1384 CA PRO A 88 -4.911 -6.136 -4.074 1.00 0.56 C ATOM 1385 C PRO A 88 -4.977 -5.010 -5.090 1.00 0.48 C ATOM 1386 O PRO A 88 -4.866 -5.242 -6.293 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.112 -7.303 -4.636 1.00 0.69 C ATOM 1388 CG PRO A 88 -4.646 -8.500 -3.922 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.086 -8.198 -3.579 1.00 0.72 C ATOM 0 HA PRO A 88 -4.484 -5.674 -3.184 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.245 -7.392 -5.714 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -3.045 -7.177 -4.455 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -4.576 -9.388 -4.551 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -4.068 -8.702 -3.020 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -6.773 -8.758 -4.213 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -6.315 -8.465 -2.547 1.00 0.72 H new ATOM 1397 N SER A 89 -5.152 -3.788 -4.607 1.00 0.43 N ATOM 1398 CA SER A 89 -5.222 -2.642 -5.498 1.00 0.42 C ATOM 1399 C SER A 89 -3.845 -2.311 -6.059 1.00 0.35 C ATOM 1400 O SER A 89 -3.039 -1.656 -5.392 1.00 0.51 O ATOM 1401 CB SER A 89 -5.799 -1.423 -4.785 1.00 0.56 C ATOM 1402 OG SER A 89 -4.852 -0.855 -3.899 1.00 1.28 O ATOM 0 H SER A 89 -5.247 -3.567 -3.616 1.00 0.43 H new ATOM 0 HA SER A 89 -5.886 -2.905 -6.322 1.00 0.42 H new ATOM 0 HB2 SER A 89 -6.105 -0.679 -5.520 1.00 0.56 H new ATOM 0 HB3 SER A 89 -6.693 -1.711 -4.231 1.00 0.56 H new ATOM 0 HG SER A 89 -3.992 -0.757 -4.359 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.612 -2.778 -7.293 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.357 -2.574 -8.041 1.00 0.37 C ATOM 1410 C GLU A 90 -1.168 -2.178 -7.162 1.00 0.34 C ATOM 1411 O GLU A 90 -1.098 -1.054 -6.679 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.572 -1.500 -9.108 1.00 0.49 C ATOM 1413 CG GLU A 90 -3.393 -1.977 -10.295 1.00 0.90 C ATOM 1414 CD GLU A 90 -3.005 -1.287 -11.589 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -3.561 -0.205 -11.873 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -2.147 -1.828 -12.316 1.00 1.77 O ATOM 0 H GLU A 90 -4.303 -3.320 -7.813 1.00 0.38 H new ATOM 0 HA GLU A 90 -2.106 -3.535 -8.489 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -3.069 -0.643 -8.654 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.602 -1.154 -9.464 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -3.267 -3.054 -10.410 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -4.450 -1.799 -10.096 1.00 0.90 H new ATOM 1423 N PRO A 91 -0.207 -3.093 -6.952 1.00 0.30 N ATOM 1424 CA PRO A 91 0.976 -2.817 -6.139 1.00 0.29 C ATOM 1425 C PRO A 91 1.619 -1.470 -6.431 1.00 0.31 C ATOM 1426 O PRO A 91 1.208 -0.733 -7.327 1.00 0.55 O ATOM 1427 CB PRO A 91 1.943 -3.919 -6.547 1.00 0.36 C ATOM 1428 CG PRO A 91 1.075 -5.066 -6.905 1.00 0.36 C ATOM 1429 CD PRO A 91 -0.189 -4.471 -7.486 1.00 0.39 C ATOM 0 HA PRO A 91 0.717 -2.789 -5.081 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.561 -3.611 -7.390 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.620 -4.174 -5.732 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.567 -5.717 -7.628 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.852 -5.674 -6.029 1.00 0.36 H new ATOM 0 HD2 PRO A 91 -0.170 -4.478 -8.576 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -1.073 -5.031 -7.179 1.00 0.39 H new ATOM 1437 N SER A 92 2.654 -1.184 -5.659 1.00 0.27 N ATOM 1438 CA SER A 92 3.423 0.040 -5.786 1.00 0.31 C ATOM 1439 C SER A 92 4.817 -0.308 -6.262 1.00 0.27 C ATOM 1440 O SER A 92 5.378 -1.310 -5.817 1.00 0.24 O ATOM 1441 CB SER A 92 3.521 0.745 -4.434 1.00 0.39 C ATOM 1442 OG SER A 92 2.666 1.860 -4.363 1.00 1.23 O ATOM 0 H SER A 92 2.986 -1.802 -4.919 1.00 0.27 H new ATOM 0 HA SER A 92 2.930 0.702 -6.498 1.00 0.31 H new ATOM 0 HB2 SER A 92 3.270 0.043 -3.639 1.00 0.39 H new ATOM 0 HB3 SER A 92 4.549 1.064 -4.264 1.00 0.39 H new ATOM 0 HG SER A 92 2.371 2.104 -5.265 1.00 1.23 H new ATOM 1448 N ASP A 93 5.371 0.514 -7.158 1.00 0.33 N ATOM 1449 CA ASP A 93 6.716 0.289 -7.701 1.00 0.36 C ATOM 1450 C ASP A 93 7.663 -0.266 -6.644 1.00 0.32 C ATOM 1451 O ASP A 93 7.700 0.217 -5.516 1.00 0.56 O ATOM 1452 CB ASP A 93 7.290 1.590 -8.263 1.00 0.45 C ATOM 1453 CG ASP A 93 7.776 1.441 -9.693 1.00 0.89 C ATOM 1454 OD1 ASP A 93 8.181 0.322 -10.068 1.00 1.63 O ATOM 1455 OD2 ASP A 93 7.749 2.445 -10.436 1.00 1.55 O ATOM 0 H ASP A 93 4.907 1.345 -7.525 1.00 0.33 H new ATOM 0 HA ASP A 93 6.623 -0.446 -8.500 1.00 0.36 H new ATOM 0 HB2 ASP A 93 6.527 2.368 -8.221 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.117 1.920 -7.634 1.00 0.45 H new ATOM 1460 N ALA A 94 8.420 -1.286 -7.018 1.00 0.33 N ATOM 1461 CA ALA A 94 9.359 -1.904 -6.097 1.00 0.28 C ATOM 1462 C ALA A 94 10.527 -0.975 -5.806 1.00 0.29 C ATOM 1463 O ALA A 94 11.388 -0.761 -6.660 1.00 0.41 O ATOM 1464 CB ALA A 94 9.879 -3.210 -6.669 1.00 0.34 C ATOM 0 H ALA A 94 8.402 -1.702 -7.949 1.00 0.33 H new ATOM 0 HA ALA A 94 8.830 -2.104 -5.165 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.581 -3.661 -5.967 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.045 -3.892 -6.836 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.385 -3.017 -7.615 1.00 0.34 H new ATOM 1470 N ILE A 95 10.560 -0.427 -4.601 1.00 0.25 N ATOM 1471 CA ILE A 95 11.633 0.472 -4.213 1.00 0.28 C ATOM 1472 C ILE A 95 12.779 -0.298 -3.560 1.00 0.26 C ATOM 1473 O ILE A 95 12.629 -0.850 -2.469 1.00 0.25 O ATOM 1474 CB ILE A 95 11.120 1.569 -3.260 1.00 0.33 C ATOM 1475 CG1 ILE A 95 10.040 2.391 -3.962 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.264 2.465 -2.807 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.635 1.907 -3.683 1.00 0.44 C ATOM 0 H ILE A 95 9.859 -0.589 -3.878 1.00 0.25 H new ATOM 0 HA ILE A 95 12.006 0.950 -5.119 1.00 0.28 H new ATOM 0 HB ILE A 95 10.692 1.099 -2.375 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.126 3.432 -3.649 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.217 2.366 -5.037 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.881 3.233 -2.135 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.011 1.866 -2.285 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.721 2.939 -3.676 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.921 2.537 -4.214 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.531 0.876 -4.022 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.438 1.958 -2.612 1.00 0.44 H new ATOM 1489 N THR A 96 13.919 -0.332 -4.243 1.00 0.29 N ATOM 1490 CA THR A 96 15.098 -1.033 -3.748 1.00 0.32 C ATOM 1491 C THR A 96 15.542 -0.479 -2.397 1.00 0.32 C ATOM 1492 O THR A 96 16.212 -1.163 -1.624 1.00 0.38 O ATOM 1493 CB THR A 96 16.240 -0.909 -4.765 1.00 0.37 C ATOM 1494 OG1 THR A 96 15.960 -1.668 -5.926 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.590 -1.363 -4.239 1.00 0.43 C ATOM 0 H THR A 96 14.051 0.121 -5.147 1.00 0.29 H new ATOM 0 HA THR A 96 14.840 -2.084 -3.615 1.00 0.32 H new ATOM 0 HB THR A 96 16.302 0.157 -4.985 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.699 -1.575 -6.563 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.343 -1.244 -5.018 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.865 -0.760 -3.373 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.533 -2.412 -3.947 1.00 0.43 H new ATOM 1503 N CYS A 97 15.175 0.765 -2.122 1.00 0.32 N ATOM 1504 CA CYS A 97 15.551 1.407 -0.872 1.00 0.36 C ATOM 1505 C CYS A 97 17.067 1.381 -0.701 1.00 0.43 C ATOM 1506 O CYS A 97 17.647 0.365 -0.320 1.00 0.64 O ATOM 1507 CB CYS A 97 14.871 0.730 0.324 1.00 0.38 C ATOM 1508 SG CYS A 97 15.476 1.298 1.928 1.00 1.10 S ATOM 0 H CYS A 97 14.618 1.348 -2.747 1.00 0.32 H new ATOM 0 HA CYS A 97 15.215 2.443 -0.910 1.00 0.36 H new ATOM 0 HB2 CYS A 97 13.797 0.909 0.268 1.00 0.38 H new ATOM 0 HB3 CYS A 97 15.019 -0.347 0.252 1.00 0.38 H new ATOM 0 HG CYS A 97 14.515 1.235 2.801 1.00 1.10 H new ATOM 1514 N ARG A 98 17.695 2.513 -0.987 1.00 0.53 N ATOM 1515 CA ARG A 98 19.145 2.651 -0.874 1.00 0.63 C ATOM 1516 C ARG A 98 19.494 4.081 -0.505 1.00 0.80 C ATOM 1517 O ARG A 98 19.798 4.388 0.648 1.00 1.04 O ATOM 1518 CB ARG A 98 19.835 2.264 -2.191 1.00 0.68 C ATOM 1519 CG ARG A 98 18.946 2.385 -3.425 1.00 0.74 C ATOM 1520 CD ARG A 98 19.675 3.042 -4.584 1.00 0.92 C ATOM 1521 NE ARG A 98 20.711 2.178 -5.141 1.00 1.64 N ATOM 1522 CZ ARG A 98 21.212 2.322 -6.364 1.00 2.31 C ATOM 1523 NH1 ARG A 98 20.770 3.291 -7.155 1.00 3.00 N ATOM 1524 NH2 ARG A 98 22.152 1.496 -6.799 1.00 2.68 N ATOM 0 H ARG A 98 17.219 3.358 -1.302 1.00 0.53 H new ATOM 0 HA ARG A 98 19.499 1.978 -0.093 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.713 2.896 -2.327 1.00 0.68 H new ATOM 0 HB3 ARG A 98 20.190 1.237 -2.113 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.604 1.394 -3.725 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.058 2.967 -3.178 1.00 0.74 H new ATOM 0 HD2 ARG A 98 18.958 3.298 -5.364 1.00 0.92 H new ATOM 0 HD3 ARG A 98 20.125 3.976 -4.246 1.00 0.92 H new ATOM 0 HE ARG A 98 21.071 1.421 -4.559 1.00 1.64 H new ATOM 0 HH11 ARG A 98 20.044 3.927 -6.825 1.00 3.00 H new ATOM 0 HH12 ARG A 98 21.156 3.400 -8.093 1.00 3.00 H new ATOM 0 HH21 ARG A 98 22.493 0.748 -6.195 1.00 2.68 H new ATOM 0 HH22 ARG A 98 22.535 1.608 -7.738 1.00 2.68 H new ATOM 1538 N ASP A 99 19.428 4.950 -1.495 1.00 0.92 N ATOM 1539 CA ASP A 99 19.712 6.363 -1.300 1.00 1.20 C ATOM 1540 C ASP A 99 18.414 7.169 -1.333 1.00 1.03 C ATOM 1541 O ASP A 99 18.424 8.374 -1.585 1.00 1.20 O ATOM 1542 CB ASP A 99 20.669 6.869 -2.380 1.00 1.61 C ATOM 1543 CG ASP A 99 20.020 6.914 -3.749 1.00 1.71 C ATOM 1544 OD1 ASP A 99 19.075 6.130 -3.983 1.00 2.08 O ATOM 1545 OD2 ASP A 99 20.455 7.731 -4.587 1.00 2.14 O ATOM 0 H ASP A 99 19.178 4.701 -2.452 1.00 0.92 H new ATOM 0 HA ASP A 99 20.185 6.491 -0.326 1.00 1.20 H new ATOM 0 HB2 ASP A 99 21.019 7.866 -2.114 1.00 1.61 H new ATOM 0 HB3 ASP A 99 21.546 6.223 -2.417 1.00 1.61 H new ATOM 1550 N ASP A 100 17.295 6.486 -1.082 1.00 0.85 N ATOM 1551 CA ASP A 100 15.982 7.122 -1.087 1.00 0.92 C ATOM 1552 C ASP A 100 15.802 7.994 -2.322 1.00 1.22 C ATOM 1553 O ASP A 100 15.056 8.973 -2.307 1.00 1.38 O ATOM 1554 CB ASP A 100 15.782 7.947 0.186 1.00 0.87 C ATOM 1555 CG ASP A 100 16.611 9.218 0.196 1.00 1.32 C ATOM 1556 OD1 ASP A 100 16.239 10.174 -0.516 1.00 2.03 O ATOM 1557 OD2 ASP A 100 17.631 9.256 0.915 1.00 2.06 O ATOM 0 H ASP A 100 17.276 5.488 -0.872 1.00 0.85 H new ATOM 0 HA ASP A 100 15.226 6.337 -1.115 1.00 0.92 H new ATOM 0 HB2 ASP A 100 14.728 8.205 0.285 1.00 0.87 H new ATOM 0 HB3 ASP A 100 16.044 7.340 1.052 1.00 0.87 H new ATOM 1562 N VAL A 101 16.496 7.625 -3.389 1.00 1.43 N ATOM 1563 CA VAL A 101 16.425 8.361 -4.644 1.00 1.90 C ATOM 1564 C VAL A 101 15.908 7.479 -5.777 1.00 2.23 C ATOM 1565 O VAL A 101 15.415 7.981 -6.787 1.00 2.80 O ATOM 1566 CB VAL A 101 17.802 8.922 -5.042 1.00 2.20 C ATOM 1567 CG1 VAL A 101 17.700 9.725 -6.330 1.00 2.67 C ATOM 1568 CG2 VAL A 101 18.380 9.767 -3.916 1.00 2.22 C ATOM 0 H VAL A 101 17.118 6.817 -3.411 1.00 1.43 H new ATOM 0 HA VAL A 101 15.731 9.186 -4.484 1.00 1.90 H new ATOM 0 HB VAL A 101 18.479 8.086 -5.219 1.00 2.20 H new ATOM 0 HG11 VAL A 101 18.683 10.114 -6.595 1.00 2.67 H new ATOM 0 HG12 VAL A 101 17.335 9.082 -7.131 1.00 2.67 H new ATOM 0 HG13 VAL A 101 17.008 10.555 -6.187 1.00 2.67 H new ATOM 0 HG21 VAL A 101 19.354 10.155 -4.215 1.00 2.22 H new ATOM 0 HG22 VAL A 101 17.708 10.598 -3.703 1.00 2.22 H new ATOM 0 HG23 VAL A 101 18.493 9.154 -3.022 1.00 2.22 H new ATOM 1578 N GLU A 102 16.021 6.161 -5.606 1.00 1.99 N ATOM 1579 CA GLU A 102 15.565 5.207 -6.615 1.00 2.40 C ATOM 1580 C GLU A 102 15.952 5.649 -8.027 1.00 2.00 C ATOM 1581 O GLU A 102 15.169 6.286 -8.730 1.00 2.49 O ATOM 1582 CB GLU A 102 14.052 5.016 -6.511 1.00 3.22 C ATOM 1583 CG GLU A 102 13.257 6.313 -6.553 1.00 3.87 C ATOM 1584 CD GLU A 102 14.141 7.542 -6.459 1.00 4.18 C ATOM 1585 OE1 GLU A 102 15.089 7.652 -7.266 1.00 4.47 O ATOM 1586 OE2 GLU A 102 13.887 8.391 -5.581 1.00 4.58 O ATOM 0 H GLU A 102 16.426 5.730 -4.775 1.00 1.99 H new ATOM 0 HA GLU A 102 16.060 4.255 -6.423 1.00 2.40 H new ATOM 0 HB2 GLU A 102 13.721 4.373 -7.327 1.00 3.22 H new ATOM 0 HB3 GLU A 102 13.826 4.494 -5.581 1.00 3.22 H new ATOM 0 HG2 GLU A 102 12.683 6.353 -7.479 1.00 3.87 H new ATOM 0 HG3 GLU A 102 12.540 6.322 -5.732 1.00 3.87 H new ATOM 1593 N ALA A 103 17.168 5.304 -8.434 1.00 1.84 N ATOM 1594 CA ALA A 103 17.659 5.663 -9.759 1.00 2.56 C ATOM 1595 C ALA A 103 18.388 4.493 -10.412 1.00 3.21 C ATOM 1596 O ALA A 103 19.578 4.285 -10.092 1.00 3.72 O ATOM 1597 CB ALA A 103 18.574 6.875 -9.671 1.00 3.26 C ATOM 1598 OXT ALA A 103 17.765 3.796 -11.239 1.00 3.79 O ATOM 0 H ALA A 103 17.831 4.777 -7.866 1.00 1.84 H new ATOM 0 HA ALA A 103 16.800 5.913 -10.382 1.00 2.56 H new ATOM 0 HB1 ALA A 103 18.934 7.132 -10.667 1.00 3.26 H new ATOM 0 HB2 ALA A 103 18.022 7.718 -9.255 1.00 3.26 H new ATOM 0 HB3 ALA A 103 19.423 6.644 -9.027 1.00 3.26 H new TER 1604 ALA A 103