USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 838 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 22 ASN : amide:sc= -0.314 K(o=-0.068,f=-5.2!) USER MOD Set 1.2: A 72 THR OG1 : rot 67:sc= 0.246 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -148:sc= 0.336 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.16) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0422 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0484 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0012 USER MOD Single : A 35 THR OG1 : rot 165:sc= 1.39 USER MOD Single : A 41 SER OG : rot 180:sc= 0.128 USER MOD Single : A 45 LYS NZ :NH3+ 133:sc= 1.26 (180deg=-0.131) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0.0373 X(o=0.037,f=0) USER MOD Single : A 59 GLN : amide:sc= 0.791 K(o=0.79,f=-4.7!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot -71:sc= 0.146 USER MOD Single : A 65 ASN : amide:sc= 2.05 K(o=2.1,f=-0.033) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.213 USER MOD Single : A 69 HIS : no HD1:sc= -0.824 K(o=-0.82,f=-1.4) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 103:sc= 0.0799 USER MOD Single : A 83 GLN : amide:sc= -1.86 K(o=-1.9,f=-4.4!) USER MOD Single : A 87 LYS NZ :NH3+ 152:sc= 1.27 (180deg=1.2) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 93 THR OG1 : rot 58:sc= 0.649 USER MOD Single : A 95 SER OG : rot 83:sc= 0.701 USER MOD Single : A 98 SER OG : rot -44:sc= 0.589 USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.0163 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.123 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.423 6.762 1.057 1.00 8.29 N ATOM 2 CA GLY A 1 26.354 7.558 1.704 1.00 7.86 C ATOM 3 C GLY A 1 25.428 6.692 2.527 1.00 7.10 C ATOM 4 O GLY A 1 25.881 5.999 3.441 1.00 7.08 O ATOM 0 H1 GLY A 1 28.037 7.392 0.502 1.00 8.29 H new ATOM 0 H2 GLY A 1 27.988 6.282 1.786 1.00 8.29 H new ATOM 0 H3 GLY A 1 26.995 6.053 0.428 1.00 8.29 H new ATOM 0 HA2 GLY A 1 26.803 8.319 2.343 1.00 7.86 H new ATOM 0 HA3 GLY A 1 25.779 8.082 0.941 1.00 7.86 H new ATOM 10 N PRO A 2 24.122 6.681 2.205 1.00 6.73 N ATOM 11 CA PRO A 2 23.131 5.870 2.918 1.00 6.29 C ATOM 12 C PRO A 2 23.387 4.377 2.744 1.00 5.85 C ATOM 13 O PRO A 2 23.354 3.856 1.630 1.00 6.07 O ATOM 14 CB PRO A 2 21.794 6.262 2.270 1.00 6.38 C ATOM 15 CG PRO A 2 22.072 7.522 1.525 1.00 6.76 C ATOM 16 CD PRO A 2 23.511 7.444 1.109 1.00 7.06 C ATOM 0 HA PRO A 2 23.158 6.049 3.993 1.00 6.29 H new ATOM 0 HB2 PRO A 2 21.437 5.480 1.600 1.00 6.38 H new ATOM 0 HB3 PRO A 2 21.021 6.413 3.024 1.00 6.38 H new ATOM 0 HG2 PRO A 2 21.419 7.615 0.657 1.00 6.76 H new ATOM 0 HG3 PRO A 2 21.894 8.395 2.153 1.00 6.76 H new ATOM 0 HD2 PRO A 2 23.629 6.940 0.150 1.00 7.06 H new ATOM 0 HD3 PRO A 2 23.957 8.433 1.006 1.00 7.06 H new ATOM 24 N LEU A 3 23.710 3.707 3.838 1.00 5.64 N ATOM 25 CA LEU A 3 24.030 2.291 3.795 1.00 5.68 C ATOM 26 C LEU A 3 22.885 1.455 4.354 1.00 5.29 C ATOM 27 O LEU A 3 22.955 0.226 4.389 1.00 5.56 O ATOM 28 CB LEU A 3 25.317 2.014 4.573 1.00 6.31 C ATOM 29 CG LEU A 3 26.256 1.007 3.913 1.00 6.71 C ATOM 30 CD1 LEU A 3 27.383 1.723 3.184 1.00 7.00 C ATOM 31 CD2 LEU A 3 26.810 0.045 4.950 1.00 7.22 C ATOM 0 H LEU A 3 23.757 4.123 4.768 1.00 5.64 H new ATOM 0 HA LEU A 3 24.180 2.009 2.753 1.00 5.68 H new ATOM 0 HB2 LEU A 3 25.852 2.954 4.710 1.00 6.31 H new ATOM 0 HB3 LEU A 3 25.054 1.649 5.566 1.00 6.31 H new ATOM 0 HG LEU A 3 25.690 0.433 3.179 1.00 6.71 H new ATOM 0 HD11 LEU A 3 28.041 0.988 2.720 1.00 7.00 H new ATOM 0 HD12 LEU A 3 26.964 2.372 2.415 1.00 7.00 H new ATOM 0 HD13 LEU A 3 27.952 2.323 3.894 1.00 7.00 H new ATOM 0 HD21 LEU A 3 27.478 -0.667 4.465 1.00 7.22 H new ATOM 0 HD22 LEU A 3 27.362 0.603 5.706 1.00 7.22 H new ATOM 0 HD23 LEU A 3 25.988 -0.492 5.424 1.00 7.22 H new ATOM 43 N GLY A 4 21.815 2.122 4.764 1.00 4.99 N ATOM 44 CA GLY A 4 20.653 1.422 5.280 1.00 4.95 C ATOM 45 C GLY A 4 19.651 1.111 4.188 1.00 4.12 C ATOM 46 O GLY A 4 18.442 1.116 4.418 1.00 4.21 O ATOM 0 H GLY A 4 21.730 3.138 4.749 1.00 4.99 H new ATOM 0 HA2 GLY A 4 20.970 0.495 5.757 1.00 4.95 H new ATOM 0 HA3 GLY A 4 20.175 2.029 6.049 1.00 4.95 H new ATOM 50 N SER A 5 20.156 0.919 2.980 1.00 3.64 N ATOM 51 CA SER A 5 19.315 0.705 1.815 1.00 3.04 C ATOM 52 C SER A 5 19.031 -0.780 1.597 1.00 2.18 C ATOM 53 O SER A 5 18.276 -1.157 0.701 1.00 2.49 O ATOM 54 CB SER A 5 20.007 1.292 0.590 1.00 3.40 C ATOM 55 OG SER A 5 21.370 1.576 0.878 1.00 4.18 O ATOM 0 H SER A 5 21.156 0.907 2.781 1.00 3.64 H new ATOM 0 HA SER A 5 18.359 1.202 1.978 1.00 3.04 H new ATOM 0 HB2 SER A 5 19.943 0.591 -0.242 1.00 3.40 H new ATOM 0 HB3 SER A 5 19.497 2.204 0.279 1.00 3.40 H new ATOM 0 HG SER A 5 21.660 2.353 0.356 1.00 4.18 H new ATOM 61 N VAL A 6 19.668 -1.622 2.395 1.00 1.77 N ATOM 62 CA VAL A 6 19.515 -3.061 2.255 1.00 1.55 C ATOM 63 C VAL A 6 18.249 -3.556 2.948 1.00 1.64 C ATOM 64 O VAL A 6 18.235 -3.746 4.166 1.00 2.57 O ATOM 65 CB VAL A 6 20.736 -3.826 2.811 1.00 2.21 C ATOM 66 CG1 VAL A 6 21.719 -4.140 1.692 1.00 2.77 C ATOM 67 CG2 VAL A 6 21.420 -3.043 3.927 1.00 2.87 C ATOM 0 H VAL A 6 20.295 -1.334 3.146 1.00 1.77 H new ATOM 0 HA VAL A 6 19.437 -3.261 1.186 1.00 1.55 H new ATOM 0 HB VAL A 6 20.381 -4.765 3.236 1.00 2.21 H new ATOM 0 HG11 VAL A 6 22.574 -4.679 2.100 1.00 2.77 H new ATOM 0 HG12 VAL A 6 21.228 -4.755 0.938 1.00 2.77 H new ATOM 0 HG13 VAL A 6 22.060 -3.211 1.236 1.00 2.77 H new ATOM 0 HG21 VAL A 6 22.275 -3.609 4.297 1.00 2.87 H new ATOM 0 HG22 VAL A 6 21.760 -2.082 3.542 1.00 2.87 H new ATOM 0 HG23 VAL A 6 20.714 -2.878 4.741 1.00 2.87 H new ATOM 77 N LYS A 7 17.199 -3.757 2.151 1.00 1.09 N ATOM 78 CA LYS A 7 15.907 -4.245 2.630 1.00 1.10 C ATOM 79 C LYS A 7 15.191 -3.179 3.446 1.00 0.91 C ATOM 80 O LYS A 7 15.437 -3.021 4.644 1.00 0.98 O ATOM 81 CB LYS A 7 16.058 -5.534 3.447 1.00 1.37 C ATOM 82 CG LYS A 7 15.181 -6.673 2.954 1.00 1.06 C ATOM 83 CD LYS A 7 14.713 -7.557 4.100 1.00 1.05 C ATOM 84 CE LYS A 7 13.519 -6.955 4.822 1.00 1.34 C ATOM 85 NZ LYS A 7 13.115 -7.763 6.003 1.00 2.06 N ATOM 0 H LYS A 7 17.222 -3.584 1.146 1.00 1.09 H new ATOM 0 HA LYS A 7 15.302 -4.474 1.753 1.00 1.10 H new ATOM 0 HB2 LYS A 7 17.100 -5.851 3.420 1.00 1.37 H new ATOM 0 HB3 LYS A 7 15.815 -5.324 4.489 1.00 1.37 H new ATOM 0 HG2 LYS A 7 14.316 -6.266 2.431 1.00 1.06 H new ATOM 0 HG3 LYS A 7 15.736 -7.274 2.233 1.00 1.06 H new ATOM 0 HD2 LYS A 7 14.447 -8.542 3.715 1.00 1.05 H new ATOM 0 HD3 LYS A 7 15.531 -7.701 4.806 1.00 1.05 H new ATOM 0 HE2 LYS A 7 13.762 -5.942 5.142 1.00 1.34 H new ATOM 0 HE3 LYS A 7 12.679 -6.878 4.131 1.00 1.34 H new ATOM 0 HZ1 LYS A 7 12.298 -7.317 6.466 1.00 2.06 H new ATOM 0 HZ2 LYS A 7 12.858 -8.723 5.696 1.00 2.06 H new ATOM 0 HZ3 LYS A 7 13.907 -7.816 6.675 1.00 2.06 H new ATOM 99 N PRO A 8 14.300 -2.422 2.795 1.00 0.74 N ATOM 100 CA PRO A 8 13.521 -1.373 3.453 1.00 0.60 C ATOM 101 C PRO A 8 12.598 -1.947 4.520 1.00 0.52 C ATOM 102 O PRO A 8 12.211 -3.118 4.459 1.00 0.60 O ATOM 103 CB PRO A 8 12.700 -0.754 2.317 1.00 0.61 C ATOM 104 CG PRO A 8 13.365 -1.201 1.060 1.00 0.84 C ATOM 105 CD PRO A 8 13.971 -2.537 1.370 1.00 0.81 C ATOM 0 HA PRO A 8 14.158 -0.652 3.966 1.00 0.60 H new ATOM 0 HB2 PRO A 8 11.663 -1.089 2.354 1.00 0.61 H new ATOM 0 HB3 PRO A 8 12.686 0.334 2.389 1.00 0.61 H new ATOM 0 HG2 PRO A 8 12.647 -1.278 0.244 1.00 0.84 H new ATOM 0 HG3 PRO A 8 14.128 -0.489 0.747 1.00 0.84 H new ATOM 0 HD2 PRO A 8 13.272 -3.352 1.181 1.00 0.81 H new ATOM 0 HD3 PRO A 8 14.857 -2.730 0.765 1.00 0.81 H new ATOM 113 N ASP A 9 12.249 -1.135 5.497 1.00 0.44 N ATOM 114 CA ASP A 9 11.372 -1.591 6.565 1.00 0.48 C ATOM 115 C ASP A 9 9.920 -1.323 6.196 1.00 0.41 C ATOM 116 O ASP A 9 9.655 -0.544 5.279 1.00 0.41 O ATOM 117 CB ASP A 9 11.733 -0.901 7.880 1.00 0.61 C ATOM 118 CG ASP A 9 12.494 -1.814 8.817 1.00 1.02 C ATOM 119 OD1 ASP A 9 12.698 -2.995 8.466 1.00 1.19 O ATOM 120 OD2 ASP A 9 12.891 -1.357 9.913 1.00 1.53 O ATOM 0 H ASP A 9 12.554 -0.165 5.577 1.00 0.44 H new ATOM 0 HA ASP A 9 11.503 -2.665 6.697 1.00 0.48 H new ATOM 0 HB2 ASP A 9 12.334 -0.016 7.671 1.00 0.61 H new ATOM 0 HB3 ASP A 9 10.822 -0.559 8.370 1.00 0.61 H new ATOM 125 N PRO A 10 8.960 -1.989 6.872 1.00 0.56 N ATOM 126 CA PRO A 10 7.532 -1.811 6.606 1.00 0.74 C ATOM 127 C PRO A 10 7.141 -0.338 6.580 1.00 0.67 C ATOM 128 O PRO A 10 7.417 0.396 7.534 1.00 0.97 O ATOM 129 CB PRO A 10 6.839 -2.528 7.776 1.00 1.05 C ATOM 130 CG PRO A 10 7.925 -2.874 8.743 1.00 1.12 C ATOM 131 CD PRO A 10 9.183 -2.974 7.937 1.00 0.78 C ATOM 0 HA PRO A 10 7.249 -2.209 5.632 1.00 0.74 H new ATOM 0 HB2 PRO A 10 6.092 -1.885 8.241 1.00 1.05 H new ATOM 0 HB3 PRO A 10 6.320 -3.424 7.434 1.00 1.05 H new ATOM 0 HG2 PRO A 10 8.017 -2.110 9.515 1.00 1.12 H new ATOM 0 HG3 PRO A 10 7.711 -3.815 9.249 1.00 1.12 H new ATOM 0 HD2 PRO A 10 10.065 -2.736 8.531 1.00 0.78 H new ATOM 0 HD3 PRO A 10 9.330 -3.977 7.537 1.00 0.78 H new ATOM 139 N PRO A 11 6.594 0.125 5.439 1.00 0.37 N ATOM 140 CA PRO A 11 6.233 1.526 5.224 1.00 0.38 C ATOM 141 C PRO A 11 5.577 2.164 6.441 1.00 0.28 C ATOM 142 O PRO A 11 4.654 1.603 7.036 1.00 0.35 O ATOM 143 CB PRO A 11 5.245 1.447 4.067 1.00 0.50 C ATOM 144 CG PRO A 11 5.684 0.266 3.272 1.00 0.64 C ATOM 145 CD PRO A 11 6.369 -0.682 4.226 1.00 0.41 C ATOM 0 HA PRO A 11 7.107 2.146 5.028 1.00 0.38 H new ATOM 0 HB2 PRO A 11 4.223 1.324 4.427 1.00 0.50 H new ATOM 0 HB3 PRO A 11 5.264 2.357 3.467 1.00 0.50 H new ATOM 0 HG2 PRO A 11 4.830 -0.217 2.796 1.00 0.64 H new ATOM 0 HG3 PRO A 11 6.364 0.569 2.476 1.00 0.64 H new ATOM 0 HD2 PRO A 11 5.748 -1.553 4.437 1.00 0.41 H new ATOM 0 HD3 PRO A 11 7.308 -1.052 3.814 1.00 0.41 H new ATOM 153 N GLU A 12 6.079 3.320 6.821 1.00 0.28 N ATOM 154 CA GLU A 12 5.561 4.030 7.971 1.00 0.30 C ATOM 155 C GLU A 12 4.430 4.948 7.549 1.00 0.28 C ATOM 156 O GLU A 12 4.405 5.418 6.412 1.00 0.31 O ATOM 157 CB GLU A 12 6.674 4.837 8.634 1.00 0.47 C ATOM 158 CG GLU A 12 7.208 4.197 9.901 1.00 0.98 C ATOM 159 CD GLU A 12 6.190 4.212 11.019 1.00 1.58 C ATOM 160 OE1 GLU A 12 6.148 5.202 11.776 1.00 2.11 O ATOM 161 OE2 GLU A 12 5.413 3.243 11.135 1.00 2.09 O ATOM 0 H GLU A 12 6.850 3.790 6.347 1.00 0.28 H new ATOM 0 HA GLU A 12 5.177 3.306 8.689 1.00 0.30 H new ATOM 0 HB2 GLU A 12 7.493 4.963 7.926 1.00 0.47 H new ATOM 0 HB3 GLU A 12 6.300 5.834 8.869 1.00 0.47 H new ATOM 0 HG2 GLU A 12 7.500 3.168 9.691 1.00 0.98 H new ATOM 0 HG3 GLU A 12 8.106 4.724 10.222 1.00 0.98 H new ATOM 168 N ASN A 13 3.508 5.207 8.469 1.00 0.33 N ATOM 169 CA ASN A 13 2.391 6.109 8.208 1.00 0.37 C ATOM 170 C ASN A 13 1.518 5.577 7.069 1.00 0.32 C ATOM 171 O ASN A 13 1.110 6.322 6.186 1.00 0.35 O ATOM 172 CB ASN A 13 2.923 7.510 7.874 1.00 0.45 C ATOM 173 CG ASN A 13 1.853 8.581 7.908 1.00 0.62 C ATOM 174 OD1 ASN A 13 1.294 8.890 8.959 1.00 0.82 O ATOM 175 ND2 ASN A 13 1.566 9.160 6.753 1.00 1.01 N ATOM 0 H ASN A 13 3.512 4.804 9.406 1.00 0.33 H new ATOM 0 HA ASN A 13 1.772 6.170 9.103 1.00 0.37 H new ATOM 0 HB2 ASN A 13 3.710 7.770 8.581 1.00 0.45 H new ATOM 0 HB3 ASN A 13 3.378 7.492 6.884 1.00 0.45 H new ATOM 0 HD21 ASN A 13 0.857 9.892 6.712 1.00 1.01 H new ATOM 0 HD22 ASN A 13 2.054 8.874 5.904 1.00 1.01 H new ATOM 182 N VAL A 14 1.225 4.284 7.107 1.00 0.30 N ATOM 183 CA VAL A 14 0.378 3.661 6.095 1.00 0.29 C ATOM 184 C VAL A 14 -1.093 3.860 6.443 1.00 0.32 C ATOM 185 O VAL A 14 -1.718 3.005 7.076 1.00 0.47 O ATOM 186 CB VAL A 14 0.660 2.148 5.947 1.00 0.34 C ATOM 187 CG1 VAL A 14 1.579 1.890 4.765 1.00 0.45 C ATOM 188 CG2 VAL A 14 1.257 1.572 7.222 1.00 0.69 C ATOM 0 H VAL A 14 1.561 3.645 7.827 1.00 0.30 H new ATOM 0 HA VAL A 14 0.610 4.145 5.146 1.00 0.29 H new ATOM 0 HB VAL A 14 -0.290 1.646 5.765 1.00 0.34 H new ATOM 0 HG11 VAL A 14 1.766 0.820 4.677 1.00 0.45 H new ATOM 0 HG12 VAL A 14 1.108 2.253 3.852 1.00 0.45 H new ATOM 0 HG13 VAL A 14 2.524 2.412 4.918 1.00 0.45 H new ATOM 0 HG21 VAL A 14 1.444 0.507 7.087 1.00 0.69 H new ATOM 0 HG22 VAL A 14 2.195 2.080 7.446 1.00 0.69 H new ATOM 0 HG23 VAL A 14 0.560 1.716 8.048 1.00 0.69 H new ATOM 198 N VAL A 15 -1.624 5.016 6.084 1.00 0.27 N ATOM 199 CA VAL A 15 -2.997 5.359 6.417 1.00 0.35 C ATOM 200 C VAL A 15 -3.832 5.594 5.164 1.00 0.34 C ATOM 201 O VAL A 15 -3.594 6.536 4.405 1.00 0.39 O ATOM 202 CB VAL A 15 -3.074 6.611 7.320 1.00 0.43 C ATOM 203 CG1 VAL A 15 -3.147 6.209 8.785 1.00 1.34 C ATOM 204 CG2 VAL A 15 -1.892 7.539 7.073 1.00 1.48 C ATOM 0 H VAL A 15 -1.124 5.735 5.561 1.00 0.27 H new ATOM 0 HA VAL A 15 -3.402 4.507 6.963 1.00 0.35 H new ATOM 0 HB VAL A 15 -3.984 7.155 7.066 1.00 0.43 H new ATOM 0 HG11 VAL A 15 -3.201 7.104 9.406 1.00 1.34 H new ATOM 0 HG12 VAL A 15 -4.035 5.598 8.951 1.00 1.34 H new ATOM 0 HG13 VAL A 15 -2.258 5.636 9.050 1.00 1.34 H new ATOM 0 HG21 VAL A 15 -1.972 8.411 7.722 1.00 1.48 H new ATOM 0 HG22 VAL A 15 -0.963 7.011 7.289 1.00 1.48 H new ATOM 0 HG23 VAL A 15 -1.893 7.860 6.031 1.00 1.48 H new ATOM 214 N ALA A 16 -4.842 4.760 4.976 1.00 0.35 N ATOM 215 CA ALA A 16 -5.758 4.921 3.862 1.00 0.38 C ATOM 216 C ALA A 16 -6.943 5.775 4.279 1.00 0.36 C ATOM 217 O ALA A 16 -7.514 5.581 5.350 1.00 0.39 O ATOM 218 CB ALA A 16 -6.222 3.570 3.351 1.00 0.45 C ATOM 0 H ALA A 16 -5.047 3.965 5.581 1.00 0.35 H new ATOM 0 HA ALA A 16 -5.235 5.426 3.050 1.00 0.38 H new ATOM 0 HB1 ALA A 16 -6.908 3.713 2.516 1.00 0.45 H new ATOM 0 HB2 ALA A 16 -5.360 2.991 3.018 1.00 0.45 H new ATOM 0 HB3 ALA A 16 -6.732 3.034 4.151 1.00 0.45 H new ATOM 224 N ARG A 17 -7.240 6.785 3.480 1.00 0.37 N ATOM 225 CA ARG A 17 -8.290 7.733 3.817 1.00 0.37 C ATOM 226 C ARG A 17 -9.420 7.667 2.801 1.00 0.35 C ATOM 227 O ARG A 17 -9.224 7.966 1.624 1.00 0.48 O ATOM 228 CB ARG A 17 -7.728 9.155 3.880 1.00 0.50 C ATOM 229 CG ARG A 17 -6.303 9.229 4.403 1.00 1.21 C ATOM 230 CD ARG A 17 -6.144 10.329 5.436 1.00 1.69 C ATOM 231 NE ARG A 17 -6.159 9.808 6.803 1.00 2.32 N ATOM 232 CZ ARG A 17 -5.110 9.843 7.627 1.00 3.06 C ATOM 233 NH1 ARG A 17 -3.947 10.327 7.205 1.00 3.37 N ATOM 234 NH2 ARG A 17 -5.221 9.372 8.863 1.00 3.99 N ATOM 0 H ARG A 17 -6.770 6.971 2.594 1.00 0.37 H new ATOM 0 HA ARG A 17 -8.685 7.466 4.797 1.00 0.37 H new ATOM 0 HB2 ARG A 17 -7.762 9.594 2.883 1.00 0.50 H new ATOM 0 HB3 ARG A 17 -8.371 9.762 4.517 1.00 0.50 H new ATOM 0 HG2 ARG A 17 -6.027 8.272 4.845 1.00 1.21 H new ATOM 0 HG3 ARG A 17 -5.619 9.407 3.573 1.00 1.21 H new ATOM 0 HD2 ARG A 17 -5.207 10.858 5.260 1.00 1.69 H new ATOM 0 HD3 ARG A 17 -6.947 11.056 5.317 1.00 1.69 H new ATOM 0 HE ARG A 17 -7.025 9.392 7.147 1.00 2.32 H new ATOM 0 HH11 ARG A 17 -3.855 10.673 6.250 1.00 3.37 H new ATOM 0 HH12 ARG A 17 -3.146 10.353 7.836 1.00 3.37 H new ATOM 0 HH21 ARG A 17 -6.108 8.983 9.183 1.00 3.99 H new ATOM 0 HH22 ARG A 17 -4.419 9.399 9.493 1.00 3.99 H new ATOM 248 N PRO A 18 -10.611 7.241 3.234 1.00 0.31 N ATOM 249 CA PRO A 18 -11.776 7.119 2.355 1.00 0.38 C ATOM 250 C PRO A 18 -12.152 8.442 1.700 1.00 0.39 C ATOM 251 O PRO A 18 -12.347 9.447 2.382 1.00 0.46 O ATOM 252 CB PRO A 18 -12.904 6.670 3.288 1.00 0.49 C ATOM 253 CG PRO A 18 -12.410 6.933 4.672 1.00 0.57 C ATOM 254 CD PRO A 18 -10.916 6.819 4.610 1.00 0.43 C ATOM 0 HA PRO A 18 -11.579 6.427 1.536 1.00 0.38 H new ATOM 0 HB2 PRO A 18 -13.822 7.223 3.088 1.00 0.49 H new ATOM 0 HB3 PRO A 18 -13.132 5.613 3.147 1.00 0.49 H new ATOM 0 HG2 PRO A 18 -12.711 7.924 5.011 1.00 0.57 H new ATOM 0 HG3 PRO A 18 -12.827 6.214 5.378 1.00 0.57 H new ATOM 0 HD2 PRO A 18 -10.431 7.460 5.346 1.00 0.43 H new ATOM 0 HD3 PRO A 18 -10.580 5.800 4.804 1.00 0.43 H new ATOM 262 N VAL A 19 -12.318 8.417 0.388 1.00 0.40 N ATOM 263 CA VAL A 19 -12.767 9.588 -0.343 1.00 0.45 C ATOM 264 C VAL A 19 -14.271 9.758 -0.150 1.00 0.48 C ATOM 265 O VAL A 19 -15.044 8.853 -0.453 1.00 0.47 O ATOM 266 CB VAL A 19 -12.437 9.473 -1.846 1.00 0.47 C ATOM 267 CG1 VAL A 19 -13.047 10.623 -2.636 1.00 0.59 C ATOM 268 CG2 VAL A 19 -10.931 9.418 -2.059 1.00 0.52 C ATOM 0 H VAL A 19 -12.148 7.596 -0.193 1.00 0.40 H new ATOM 0 HA VAL A 19 -12.243 10.461 0.047 1.00 0.45 H new ATOM 0 HB VAL A 19 -12.875 8.546 -2.214 1.00 0.47 H new ATOM 0 HG11 VAL A 19 -12.796 10.513 -3.691 1.00 0.59 H new ATOM 0 HG12 VAL A 19 -14.130 10.612 -2.517 1.00 0.59 H new ATOM 0 HG13 VAL A 19 -12.651 11.569 -2.266 1.00 0.59 H new ATOM 0 HG21 VAL A 19 -10.717 9.337 -3.125 1.00 0.52 H new ATOM 0 HG22 VAL A 19 -10.474 10.326 -1.665 1.00 0.52 H new ATOM 0 HG23 VAL A 19 -10.522 8.551 -1.540 1.00 0.52 H new ATOM 278 N PRO A 20 -14.693 10.864 0.479 1.00 0.58 N ATOM 279 CA PRO A 20 -16.097 11.079 0.853 1.00 0.69 C ATOM 280 C PRO A 20 -17.026 11.183 -0.352 1.00 0.70 C ATOM 281 O PRO A 20 -18.239 11.024 -0.229 1.00 1.27 O ATOM 282 CB PRO A 20 -16.071 12.404 1.628 1.00 0.84 C ATOM 283 CG PRO A 20 -14.780 13.051 1.258 1.00 0.97 C ATOM 284 CD PRO A 20 -13.819 11.931 0.988 1.00 0.67 C ATOM 0 HA PRO A 20 -16.486 10.240 1.430 1.00 0.69 H new ATOM 0 HB2 PRO A 20 -16.918 13.034 1.358 1.00 0.84 H new ATOM 0 HB3 PRO A 20 -16.131 12.232 2.703 1.00 0.84 H new ATOM 0 HG2 PRO A 20 -14.899 13.684 0.379 1.00 0.97 H new ATOM 0 HG3 PRO A 20 -14.418 13.690 2.064 1.00 0.97 H new ATOM 0 HD2 PRO A 20 -13.062 12.216 0.258 1.00 0.67 H new ATOM 0 HD3 PRO A 20 -13.291 11.625 1.891 1.00 0.67 H new ATOM 292 N SER A 21 -16.459 11.494 -1.504 1.00 0.80 N ATOM 293 CA SER A 21 -17.242 11.675 -2.712 1.00 0.85 C ATOM 294 C SER A 21 -17.362 10.371 -3.501 1.00 0.65 C ATOM 295 O SER A 21 -18.150 10.280 -4.442 1.00 0.69 O ATOM 296 CB SER A 21 -16.593 12.755 -3.571 1.00 1.07 C ATOM 297 OG SER A 21 -15.455 13.297 -2.915 1.00 1.49 O ATOM 0 H SER A 21 -15.455 11.627 -1.628 1.00 0.80 H new ATOM 0 HA SER A 21 -18.250 11.981 -2.432 1.00 0.85 H new ATOM 0 HB2 SER A 21 -16.300 12.335 -4.533 1.00 1.07 H new ATOM 0 HB3 SER A 21 -17.314 13.547 -3.775 1.00 1.07 H new ATOM 0 HG SER A 21 -15.049 13.987 -3.480 1.00 1.49 H new ATOM 303 N ASN A 22 -16.567 9.374 -3.134 1.00 0.55 N ATOM 304 CA ASN A 22 -16.567 8.102 -3.838 1.00 0.44 C ATOM 305 C ASN A 22 -16.645 6.931 -2.863 1.00 0.40 C ATOM 306 O ASN A 22 -15.739 6.720 -2.055 1.00 0.43 O ATOM 307 CB ASN A 22 -15.310 7.986 -4.691 1.00 0.57 C ATOM 308 CG ASN A 22 -15.418 6.890 -5.724 1.00 0.74 C ATOM 309 OD1 ASN A 22 -14.961 5.767 -5.508 1.00 0.94 O ATOM 310 ND2 ASN A 22 -16.018 7.203 -6.853 1.00 1.28 N ATOM 0 H ASN A 22 -15.914 9.424 -2.352 1.00 0.55 H new ATOM 0 HA ASN A 22 -17.448 8.066 -4.479 1.00 0.44 H new ATOM 0 HB2 ASN A 22 -15.124 8.936 -5.191 1.00 0.57 H new ATOM 0 HB3 ASN A 22 -14.453 7.792 -4.046 1.00 0.57 H new ATOM 0 HD21 ASN A 22 -16.118 6.503 -7.588 1.00 1.28 H new ATOM 0 HD22 ASN A 22 -16.383 8.145 -6.992 1.00 1.28 H new ATOM 317 N PRO A 23 -17.707 6.118 -2.961 1.00 0.40 N ATOM 318 CA PRO A 23 -17.930 4.970 -2.079 1.00 0.43 C ATOM 319 C PRO A 23 -17.082 3.761 -2.458 1.00 0.48 C ATOM 320 O PRO A 23 -17.436 2.621 -2.160 1.00 0.98 O ATOM 321 CB PRO A 23 -19.418 4.644 -2.269 1.00 0.56 C ATOM 322 CG PRO A 23 -19.955 5.677 -3.209 1.00 0.70 C ATOM 323 CD PRO A 23 -18.780 6.241 -3.947 1.00 0.48 C ATOM 0 HA PRO A 23 -17.655 5.204 -1.051 1.00 0.43 H new ATOM 0 HB2 PRO A 23 -19.548 3.642 -2.677 1.00 0.56 H new ATOM 0 HB3 PRO A 23 -19.947 4.672 -1.317 1.00 0.56 H new ATOM 0 HG2 PRO A 23 -20.671 5.235 -3.902 1.00 0.70 H new ATOM 0 HG3 PRO A 23 -20.481 6.460 -2.663 1.00 0.70 H new ATOM 0 HD2 PRO A 23 -18.563 5.681 -4.856 1.00 0.48 H new ATOM 0 HD3 PRO A 23 -18.944 7.277 -4.243 1.00 0.48 H new ATOM 331 N ARG A 24 -16.000 4.011 -3.169 1.00 0.31 N ATOM 332 CA ARG A 24 -15.125 2.948 -3.626 1.00 0.27 C ATOM 333 C ARG A 24 -13.671 3.405 -3.597 1.00 0.26 C ATOM 334 O ARG A 24 -12.767 2.644 -3.934 1.00 0.31 O ATOM 335 CB ARG A 24 -15.509 2.541 -5.049 1.00 0.35 C ATOM 336 CG ARG A 24 -16.048 1.125 -5.171 1.00 0.37 C ATOM 337 CD ARG A 24 -16.233 0.724 -6.628 1.00 0.62 C ATOM 338 NE ARG A 24 -16.426 1.885 -7.497 1.00 1.27 N ATOM 339 CZ ARG A 24 -17.609 2.275 -7.966 1.00 2.02 C ATOM 340 NH1 ARG A 24 -18.691 1.542 -7.728 1.00 2.44 N ATOM 341 NH2 ARG A 24 -17.706 3.390 -8.679 1.00 2.86 N ATOM 0 H ARG A 24 -15.704 4.947 -3.444 1.00 0.31 H new ATOM 0 HA ARG A 24 -15.236 2.092 -2.960 1.00 0.27 H new ATOM 0 HB2 ARG A 24 -16.260 3.237 -5.423 1.00 0.35 H new ATOM 0 HB3 ARG A 24 -14.634 2.641 -5.691 1.00 0.35 H new ATOM 0 HG2 ARG A 24 -15.363 0.430 -4.685 1.00 0.37 H new ATOM 0 HG3 ARG A 24 -17.001 1.051 -4.648 1.00 0.37 H new ATOM 0 HD2 ARG A 24 -15.361 0.162 -6.963 1.00 0.62 H new ATOM 0 HD3 ARG A 24 -17.093 0.060 -6.715 1.00 0.62 H new ATOM 0 HE ARG A 24 -15.604 2.429 -7.759 1.00 1.27 H new ATOM 0 HH11 ARG A 24 -18.615 0.681 -7.186 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -19.598 1.840 -8.087 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -16.874 3.949 -8.868 1.00 2.86 H new ATOM 0 HH22 ARG A 24 -18.613 3.688 -9.038 1.00 2.86 H new ATOM 355 N ARG A 25 -13.455 4.673 -3.266 1.00 0.23 N ATOM 356 CA ARG A 25 -12.128 5.264 -3.357 1.00 0.26 C ATOM 357 C ARG A 25 -11.448 5.381 -1.998 1.00 0.24 C ATOM 358 O ARG A 25 -11.946 6.053 -1.091 1.00 0.24 O ATOM 359 CB ARG A 25 -12.217 6.641 -4.017 1.00 0.32 C ATOM 360 CG ARG A 25 -11.417 6.758 -5.304 1.00 0.51 C ATOM 361 CD ARG A 25 -11.862 7.958 -6.127 1.00 0.80 C ATOM 362 NE ARG A 25 -10.972 8.200 -7.264 1.00 1.32 N ATOM 363 CZ ARG A 25 -10.097 9.205 -7.320 1.00 1.71 C ATOM 364 NH1 ARG A 25 -10.098 10.136 -6.380 1.00 2.14 N ATOM 365 NH2 ARG A 25 -9.259 9.305 -8.343 1.00 2.31 N ATOM 0 H ARG A 25 -14.180 5.309 -2.933 1.00 0.23 H new ATOM 0 HA ARG A 25 -11.517 4.598 -3.967 1.00 0.26 H new ATOM 0 HB2 ARG A 25 -13.263 6.865 -4.229 1.00 0.32 H new ATOM 0 HB3 ARG A 25 -11.866 7.395 -3.312 1.00 0.32 H new ATOM 0 HG2 ARG A 25 -10.357 6.850 -5.068 1.00 0.51 H new ATOM 0 HG3 ARG A 25 -11.535 5.848 -5.892 1.00 0.51 H new ATOM 0 HD2 ARG A 25 -12.877 7.794 -6.489 1.00 0.80 H new ATOM 0 HD3 ARG A 25 -11.889 8.844 -5.492 1.00 0.80 H new ATOM 0 HE ARG A 25 -11.024 7.563 -8.059 1.00 1.32 H new ATOM 0 HH11 ARG A 25 -10.768 10.085 -5.613 1.00 2.14 H new ATOM 0 HH12 ARG A 25 -9.429 10.905 -6.423 1.00 2.14 H new ATOM 0 HH21 ARG A 25 -9.282 8.612 -9.091 1.00 2.31 H new ATOM 0 HH22 ARG A 25 -8.591 10.075 -8.382 1.00 2.31 H new ATOM 379 N LEU A 26 -10.254 4.815 -1.914 1.00 0.29 N ATOM 380 CA LEU A 26 -9.410 4.948 -0.737 1.00 0.35 C ATOM 381 C LEU A 26 -8.141 5.707 -1.097 1.00 0.39 C ATOM 382 O LEU A 26 -7.404 5.303 -2.001 1.00 0.44 O ATOM 383 CB LEU A 26 -9.024 3.575 -0.177 1.00 0.44 C ATOM 384 CG LEU A 26 -10.123 2.831 0.582 1.00 0.36 C ATOM 385 CD1 LEU A 26 -9.632 1.456 1.009 1.00 0.46 C ATOM 386 CD2 LEU A 26 -10.563 3.632 1.793 1.00 0.43 C ATOM 0 H LEU A 26 -9.843 4.251 -2.658 1.00 0.29 H new ATOM 0 HA LEU A 26 -9.973 5.493 0.021 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -8.691 2.947 -1.004 1.00 0.44 H new ATOM 0 HB3 LEU A 26 -8.171 3.703 0.490 1.00 0.44 H new ATOM 0 HG LEU A 26 -10.979 2.705 -0.081 1.00 0.36 H new ATOM 0 HD11 LEU A 26 -10.425 0.938 1.548 1.00 0.46 H new ATOM 0 HD12 LEU A 26 -9.356 0.878 0.127 1.00 0.46 H new ATOM 0 HD13 LEU A 26 -8.763 1.565 1.658 1.00 0.46 H new ATOM 0 HD21 LEU A 26 -11.346 3.090 2.323 1.00 0.43 H new ATOM 0 HD22 LEU A 26 -9.712 3.783 2.458 1.00 0.43 H new ATOM 0 HD23 LEU A 26 -10.947 4.599 1.469 1.00 0.43 H new ATOM 398 N GLU A 27 -7.865 6.769 -0.363 1.00 0.41 N ATOM 399 CA GLU A 27 -6.636 7.520 -0.546 1.00 0.47 C ATOM 400 C GLU A 27 -5.562 6.956 0.373 1.00 0.41 C ATOM 401 O GLU A 27 -5.344 7.455 1.479 1.00 0.48 O ATOM 402 CB GLU A 27 -6.858 9.003 -0.251 1.00 0.51 C ATOM 403 CG GLU A 27 -6.464 9.919 -1.397 1.00 0.99 C ATOM 404 CD GLU A 27 -7.446 11.054 -1.597 1.00 1.26 C ATOM 405 OE1 GLU A 27 -8.077 11.479 -0.607 1.00 1.63 O ATOM 406 OE2 GLU A 27 -7.594 11.527 -2.745 1.00 1.82 O ATOM 0 H GLU A 27 -8.477 7.132 0.368 1.00 0.41 H new ATOM 0 HA GLU A 27 -6.314 7.427 -1.583 1.00 0.47 H new ATOM 0 HB2 GLU A 27 -7.910 9.164 -0.014 1.00 0.51 H new ATOM 0 HB3 GLU A 27 -6.286 9.278 0.635 1.00 0.51 H new ATOM 0 HG2 GLU A 27 -5.473 10.330 -1.205 1.00 0.99 H new ATOM 0 HG3 GLU A 27 -6.395 9.337 -2.316 1.00 0.99 H new ATOM 413 N VAL A 28 -4.942 5.874 -0.065 1.00 0.40 N ATOM 414 CA VAL A 28 -3.911 5.212 0.716 1.00 0.38 C ATOM 415 C VAL A 28 -2.637 6.036 0.699 1.00 0.35 C ATOM 416 O VAL A 28 -1.935 6.095 -0.310 1.00 0.42 O ATOM 417 CB VAL A 28 -3.604 3.790 0.195 1.00 0.49 C ATOM 418 CG1 VAL A 28 -3.317 2.849 1.355 1.00 0.61 C ATOM 419 CG2 VAL A 28 -4.748 3.257 -0.653 1.00 0.68 C ATOM 0 H VAL A 28 -5.136 5.433 -0.964 1.00 0.40 H new ATOM 0 HA VAL A 28 -4.289 5.122 1.734 1.00 0.38 H new ATOM 0 HB VAL A 28 -2.717 3.847 -0.436 1.00 0.49 H new ATOM 0 HG11 VAL A 28 -3.103 1.852 0.970 1.00 0.61 H new ATOM 0 HG12 VAL A 28 -2.456 3.214 1.915 1.00 0.61 H new ATOM 0 HG13 VAL A 28 -4.186 2.806 2.012 1.00 0.61 H new ATOM 0 HG21 VAL A 28 -4.503 2.255 -1.006 1.00 0.68 H new ATOM 0 HG22 VAL A 28 -5.658 3.219 -0.054 1.00 0.68 H new ATOM 0 HG23 VAL A 28 -4.904 3.914 -1.508 1.00 0.68 H new ATOM 429 N THR A 29 -2.367 6.701 1.804 1.00 0.31 N ATOM 430 CA THR A 29 -1.186 7.530 1.917 1.00 0.30 C ATOM 431 C THR A 29 -0.202 6.911 2.893 1.00 0.28 C ATOM 432 O THR A 29 -0.593 6.423 3.952 1.00 0.31 O ATOM 433 CB THR A 29 -1.549 8.946 2.387 1.00 0.35 C ATOM 434 OG1 THR A 29 -2.975 9.116 2.373 1.00 0.69 O ATOM 435 CG2 THR A 29 -0.896 9.997 1.501 1.00 0.59 C ATOM 0 H THR A 29 -2.952 6.683 2.639 1.00 0.31 H new ATOM 0 HA THR A 29 -0.728 7.596 0.930 1.00 0.30 H new ATOM 0 HB THR A 29 -1.178 9.074 3.404 1.00 0.35 H new ATOM 0 HG1 THR A 29 -3.200 10.021 2.675 1.00 0.69 H new ATOM 0 HG21 THR A 29 -1.169 10.991 1.855 1.00 0.59 H new ATOM 0 HG22 THR A 29 0.187 9.883 1.539 1.00 0.59 H new ATOM 0 HG23 THR A 29 -1.238 9.871 0.474 1.00 0.59 H new ATOM 443 N TRP A 30 1.062 6.893 2.515 1.00 0.27 N ATOM 444 CA TRP A 30 2.096 6.315 3.352 1.00 0.28 C ATOM 445 C TRP A 30 3.370 7.128 3.246 1.00 0.27 C ATOM 446 O TRP A 30 3.434 8.114 2.513 1.00 0.33 O ATOM 447 CB TRP A 30 2.372 4.862 2.950 1.00 0.29 C ATOM 448 CG TRP A 30 2.567 4.683 1.475 1.00 0.25 C ATOM 449 CD1 TRP A 30 3.687 4.981 0.754 1.00 0.40 C ATOM 450 CD2 TRP A 30 1.611 4.168 0.545 1.00 0.25 C ATOM 451 NE1 TRP A 30 3.479 4.696 -0.573 1.00 0.44 N ATOM 452 CE2 TRP A 30 2.212 4.192 -0.726 1.00 0.33 C ATOM 453 CE3 TRP A 30 0.306 3.695 0.662 1.00 0.39 C ATOM 454 CZ2 TRP A 30 1.550 3.759 -1.869 1.00 0.41 C ATOM 455 CZ3 TRP A 30 -0.350 3.265 -0.474 1.00 0.49 C ATOM 456 CH2 TRP A 30 0.272 3.301 -1.726 1.00 0.46 C ATOM 0 H TRP A 30 1.398 7.273 1.630 1.00 0.27 H new ATOM 0 HA TRP A 30 1.746 6.330 4.384 1.00 0.28 H new ATOM 0 HB2 TRP A 30 3.262 4.510 3.473 1.00 0.29 H new ATOM 0 HB3 TRP A 30 1.541 4.237 3.278 1.00 0.29 H new ATOM 0 HD1 TRP A 30 4.601 5.382 1.166 1.00 0.40 H new ATOM 0 HE1 TRP A 30 4.156 4.836 -1.323 1.00 0.44 H new ATOM 0 HE3 TRP A 30 -0.184 3.665 1.624 1.00 0.39 H new ATOM 0 HZ2 TRP A 30 2.030 3.784 -2.836 1.00 0.41 H new ATOM 0 HZ3 TRP A 30 -1.361 2.894 -0.394 1.00 0.49 H new ATOM 0 HH2 TRP A 30 -0.269 2.960 -2.596 1.00 0.46 H new ATOM 467 N GLN A 31 4.394 6.667 3.931 1.00 0.28 N ATOM 468 CA GLN A 31 5.699 7.281 3.878 1.00 0.29 C ATOM 469 C GLN A 31 6.752 6.187 3.973 1.00 0.29 C ATOM 470 O GLN A 31 6.418 5.027 4.221 1.00 0.29 O ATOM 471 CB GLN A 31 5.854 8.284 5.024 1.00 0.32 C ATOM 472 CG GLN A 31 6.383 9.639 4.586 1.00 0.64 C ATOM 473 CD GLN A 31 5.328 10.473 3.891 1.00 0.85 C ATOM 474 OE1 GLN A 31 4.353 10.906 4.507 1.00 1.65 O ATOM 475 NE2 GLN A 31 5.517 10.715 2.605 1.00 0.79 N ATOM 0 H GLN A 31 4.342 5.852 4.542 1.00 0.28 H new ATOM 0 HA GLN A 31 5.822 7.822 2.940 1.00 0.29 H new ATOM 0 HB2 GLN A 31 4.887 8.421 5.508 1.00 0.32 H new ATOM 0 HB3 GLN A 31 6.528 7.866 5.772 1.00 0.32 H new ATOM 0 HG2 GLN A 31 6.754 10.180 5.457 1.00 0.64 H new ATOM 0 HG3 GLN A 31 7.230 9.496 3.915 1.00 0.64 H new ATOM 0 HE21 GLN A 31 6.338 10.338 2.130 1.00 0.79 H new ATOM 0 HE22 GLN A 31 4.842 11.278 2.088 1.00 0.79 H new ATOM 484 N THR A 32 8.012 6.541 3.804 1.00 0.34 N ATOM 485 CA THR A 32 9.075 5.563 3.929 1.00 0.36 C ATOM 486 C THR A 32 9.295 5.235 5.398 1.00 0.41 C ATOM 487 O THR A 32 8.977 6.047 6.270 1.00 0.49 O ATOM 488 CB THR A 32 10.391 6.075 3.319 1.00 0.42 C ATOM 489 OG1 THR A 32 10.522 7.486 3.556 1.00 0.49 O ATOM 490 CG2 THR A 32 10.437 5.803 1.821 1.00 0.49 C ATOM 0 H THR A 32 8.322 7.487 3.582 1.00 0.34 H new ATOM 0 HA THR A 32 8.773 4.669 3.384 1.00 0.36 H new ATOM 0 HB THR A 32 11.217 5.545 3.794 1.00 0.42 H new ATOM 0 HG1 THR A 32 11.362 7.806 3.167 1.00 0.49 H new ATOM 0 HG21 THR A 32 11.377 6.174 1.413 1.00 0.49 H new ATOM 0 HG22 THR A 32 10.363 4.730 1.644 1.00 0.49 H new ATOM 0 HG23 THR A 32 9.604 6.310 1.333 1.00 0.49 H new ATOM 498 N PRO A 33 9.834 4.049 5.699 1.00 0.39 N ATOM 499 CA PRO A 33 10.132 3.654 7.075 1.00 0.46 C ATOM 500 C PRO A 33 11.088 4.640 7.738 1.00 0.56 C ATOM 501 O PRO A 33 11.895 5.279 7.062 1.00 0.60 O ATOM 502 CB PRO A 33 10.798 2.282 6.924 1.00 0.46 C ATOM 503 CG PRO A 33 11.228 2.208 5.499 1.00 0.42 C ATOM 504 CD PRO A 33 10.230 3.017 4.730 1.00 0.35 C ATOM 0 HA PRO A 33 9.241 3.632 7.703 1.00 0.46 H new ATOM 0 HB2 PRO A 33 11.649 2.182 7.597 1.00 0.46 H new ATOM 0 HB3 PRO A 33 10.103 1.478 7.167 1.00 0.46 H new ATOM 0 HG2 PRO A 33 12.235 2.606 5.373 1.00 0.42 H new ATOM 0 HG3 PRO A 33 11.248 1.176 5.149 1.00 0.42 H new ATOM 0 HD2 PRO A 33 10.668 3.452 3.832 1.00 0.35 H new ATOM 0 HD3 PRO A 33 9.380 2.414 4.411 1.00 0.35 H new ATOM 512 N SER A 34 11.020 4.746 9.053 1.00 0.66 N ATOM 513 CA SER A 34 11.904 5.635 9.786 1.00 0.80 C ATOM 514 C SER A 34 13.349 5.155 9.680 1.00 0.86 C ATOM 515 O SER A 34 14.285 5.956 9.669 1.00 0.96 O ATOM 516 CB SER A 34 11.467 5.712 11.247 1.00 0.92 C ATOM 517 OG SER A 34 10.069 5.931 11.337 1.00 1.02 O ATOM 0 H SER A 34 10.362 4.228 9.635 1.00 0.66 H new ATOM 0 HA SER A 34 11.845 6.632 9.350 1.00 0.80 H new ATOM 0 HB2 SER A 34 11.730 4.787 11.760 1.00 0.92 H new ATOM 0 HB3 SER A 34 12.000 6.519 11.750 1.00 0.92 H new ATOM 0 HG SER A 34 9.805 5.976 12.280 1.00 1.02 H new ATOM 523 N THR A 35 13.517 3.845 9.550 1.00 0.82 N ATOM 524 CA THR A 35 14.834 3.249 9.415 1.00 0.91 C ATOM 525 C THR A 35 15.466 3.582 8.060 1.00 0.92 C ATOM 526 O THR A 35 16.687 3.517 7.901 1.00 1.11 O ATOM 527 CB THR A 35 14.758 1.721 9.586 1.00 0.89 C ATOM 528 OG1 THR A 35 13.411 1.331 9.902 1.00 0.85 O ATOM 529 CG2 THR A 35 15.699 1.257 10.688 1.00 1.08 C ATOM 0 H THR A 35 12.749 3.173 9.536 1.00 0.82 H new ATOM 0 HA THR A 35 15.462 3.670 10.200 1.00 0.91 H new ATOM 0 HB THR A 35 15.061 1.253 8.649 1.00 0.89 H new ATOM 0 HG1 THR A 35 13.310 0.366 9.767 1.00 0.85 H new ATOM 0 HG21 THR A 35 15.630 0.174 10.793 1.00 1.08 H new ATOM 0 HG22 THR A 35 16.722 1.533 10.433 1.00 1.08 H new ATOM 0 HG23 THR A 35 15.419 1.731 11.629 1.00 1.08 H new ATOM 537 N TRP A 36 14.637 4.008 7.111 1.00 0.80 N ATOM 538 CA TRP A 36 15.117 4.412 5.796 1.00 0.83 C ATOM 539 C TRP A 36 15.769 5.787 5.871 1.00 1.00 C ATOM 540 O TRP A 36 15.178 6.732 6.395 1.00 1.09 O ATOM 541 CB TRP A 36 13.965 4.438 4.792 1.00 0.74 C ATOM 542 CG TRP A 36 14.414 4.368 3.364 1.00 0.78 C ATOM 543 CD1 TRP A 36 14.361 5.369 2.436 1.00 0.86 C ATOM 544 CD2 TRP A 36 14.986 3.236 2.701 1.00 0.87 C ATOM 545 NE1 TRP A 36 14.862 4.925 1.236 1.00 0.97 N ATOM 546 CE2 TRP A 36 15.253 3.620 1.374 1.00 0.98 C ATOM 547 CE3 TRP A 36 15.298 1.933 3.102 1.00 0.97 C ATOM 548 CZ2 TRP A 36 15.816 2.747 0.447 1.00 1.14 C ATOM 549 CZ3 TRP A 36 15.858 1.070 2.181 1.00 1.14 C ATOM 550 CH2 TRP A 36 16.111 1.479 0.868 1.00 1.21 C ATOM 0 H TRP A 36 13.627 4.082 7.230 1.00 0.80 H new ATOM 0 HA TRP A 36 15.858 3.686 5.463 1.00 0.83 H new ATOM 0 HB2 TRP A 36 13.297 3.601 4.996 1.00 0.74 H new ATOM 0 HB3 TRP A 36 13.387 5.350 4.938 1.00 0.74 H new ATOM 0 HD1 TRP A 36 13.981 6.363 2.619 1.00 0.86 H new ATOM 0 HE1 TRP A 36 14.931 5.478 0.381 1.00 0.97 H new ATOM 0 HE3 TRP A 36 15.104 1.608 4.114 1.00 0.97 H new ATOM 0 HZ2 TRP A 36 16.013 3.059 -0.568 1.00 1.14 H new ATOM 0 HZ3 TRP A 36 16.105 0.062 2.480 1.00 1.14 H new ATOM 0 HH2 TRP A 36 16.549 0.779 0.171 1.00 1.21 H new ATOM 561 N PRO A 37 17.017 5.901 5.393 1.00 1.20 N ATOM 562 CA PRO A 37 17.778 7.154 5.453 1.00 1.44 C ATOM 563 C PRO A 37 17.278 8.196 4.442 1.00 1.34 C ATOM 564 O PRO A 37 16.200 8.765 4.617 1.00 1.49 O ATOM 565 CB PRO A 37 19.208 6.701 5.140 1.00 1.76 C ATOM 566 CG PRO A 37 19.035 5.489 4.293 1.00 1.78 C ATOM 567 CD PRO A 37 17.807 4.799 4.814 1.00 1.34 C ATOM 0 HA PRO A 37 17.683 7.656 6.416 1.00 1.44 H new ATOM 0 HB2 PRO A 37 19.765 7.477 4.614 1.00 1.76 H new ATOM 0 HB3 PRO A 37 19.761 6.473 6.051 1.00 1.76 H new ATOM 0 HG2 PRO A 37 18.917 5.759 3.244 1.00 1.78 H new ATOM 0 HG3 PRO A 37 19.907 4.838 4.358 1.00 1.78 H new ATOM 0 HD2 PRO A 37 17.264 4.290 4.018 1.00 1.34 H new ATOM 0 HD3 PRO A 37 18.056 4.046 5.562 1.00 1.34 H new ATOM 575 N ASP A 38 18.073 8.475 3.412 1.00 1.33 N ATOM 576 CA ASP A 38 17.710 9.474 2.411 1.00 1.35 C ATOM 577 C ASP A 38 16.949 8.837 1.252 1.00 1.29 C ATOM 578 O ASP A 38 17.528 8.103 0.448 1.00 1.42 O ATOM 579 CB ASP A 38 18.963 10.174 1.881 1.00 1.65 C ATOM 580 CG ASP A 38 18.747 11.654 1.625 1.00 1.90 C ATOM 581 OD1 ASP A 38 17.670 12.027 1.116 1.00 2.16 O ATOM 582 OD2 ASP A 38 19.658 12.453 1.936 1.00 2.28 O ATOM 0 H ASP A 38 18.973 8.023 3.249 1.00 1.33 H new ATOM 0 HA ASP A 38 17.062 10.208 2.890 1.00 1.35 H new ATOM 0 HB2 ASP A 38 19.774 10.049 2.598 1.00 1.65 H new ATOM 0 HB3 ASP A 38 19.279 9.692 0.956 1.00 1.65 H new ATOM 587 N PRO A 39 15.640 9.118 1.138 1.00 1.31 N ATOM 588 CA PRO A 39 14.788 8.573 0.075 1.00 1.44 C ATOM 589 C PRO A 39 15.016 9.267 -1.269 1.00 1.61 C ATOM 590 O PRO A 39 14.221 9.128 -2.200 1.00 1.84 O ATOM 591 CB PRO A 39 13.356 8.834 0.579 1.00 1.62 C ATOM 592 CG PRO A 39 13.503 9.347 1.975 1.00 1.69 C ATOM 593 CD PRO A 39 14.867 9.961 2.050 1.00 1.44 C ATOM 0 HA PRO A 39 15.000 7.520 -0.108 1.00 1.44 H new ATOM 0 HB2 PRO A 39 12.845 9.561 -0.053 1.00 1.62 H new ATOM 0 HB3 PRO A 39 12.762 7.921 0.559 1.00 1.62 H new ATOM 0 HG2 PRO A 39 12.731 10.082 2.203 1.00 1.69 H new ATOM 0 HG3 PRO A 39 13.399 8.540 2.700 1.00 1.69 H new ATOM 0 HD2 PRO A 39 14.861 11.004 1.733 1.00 1.44 H new ATOM 0 HD3 PRO A 39 15.268 9.938 3.063 1.00 1.44 H new ATOM 601 N GLU A 40 16.115 9.999 -1.369 1.00 1.57 N ATOM 602 CA GLU A 40 16.472 10.677 -2.599 1.00 1.76 C ATOM 603 C GLU A 40 17.429 9.818 -3.412 1.00 1.76 C ATOM 604 O GLU A 40 17.164 9.500 -4.570 1.00 1.90 O ATOM 605 CB GLU A 40 17.100 12.033 -2.288 1.00 1.90 C ATOM 606 CG GLU A 40 16.115 13.030 -1.702 1.00 2.12 C ATOM 607 CD GLU A 40 15.017 13.395 -2.678 1.00 2.36 C ATOM 608 OE1 GLU A 40 13.986 12.691 -2.718 1.00 2.91 O ATOM 609 OE2 GLU A 40 15.175 14.401 -3.401 1.00 2.63 O ATOM 0 H GLU A 40 16.777 10.137 -0.606 1.00 1.57 H new ATOM 0 HA GLU A 40 15.570 10.841 -3.188 1.00 1.76 H new ATOM 0 HB2 GLU A 40 17.924 11.892 -1.588 1.00 1.90 H new ATOM 0 HB3 GLU A 40 17.525 12.447 -3.202 1.00 1.90 H new ATOM 0 HG2 GLU A 40 15.671 12.611 -0.799 1.00 2.12 H new ATOM 0 HG3 GLU A 40 16.649 13.933 -1.405 1.00 2.12 H new ATOM 616 N SER A 41 18.506 9.379 -2.773 1.00 1.67 N ATOM 617 CA SER A 41 19.464 8.492 -3.412 1.00 1.75 C ATOM 618 C SER A 41 18.850 7.110 -3.611 1.00 1.63 C ATOM 619 O SER A 41 19.001 6.494 -4.668 1.00 1.67 O ATOM 620 CB SER A 41 20.722 8.398 -2.553 1.00 1.82 C ATOM 621 OG SER A 41 20.744 9.445 -1.594 1.00 1.89 O ATOM 0 H SER A 41 18.736 9.625 -1.810 1.00 1.67 H new ATOM 0 HA SER A 41 19.730 8.893 -4.390 1.00 1.75 H new ATOM 0 HB2 SER A 41 20.754 7.433 -2.048 1.00 1.82 H new ATOM 0 HB3 SER A 41 21.608 8.457 -3.186 1.00 1.82 H new ATOM 0 HG SER A 41 21.555 9.372 -1.049 1.00 1.89 H new ATOM 627 N PHE A 42 18.060 6.692 -2.632 1.00 1.51 N ATOM 628 CA PHE A 42 17.312 5.448 -2.719 1.00 1.41 C ATOM 629 C PHE A 42 15.828 5.743 -2.536 1.00 1.27 C ATOM 630 O PHE A 42 15.368 5.974 -1.415 1.00 1.40 O ATOM 631 CB PHE A 42 17.803 4.455 -1.664 1.00 1.58 C ATOM 632 CG PHE A 42 19.272 4.166 -1.752 1.00 2.08 C ATOM 633 CD1 PHE A 42 19.762 3.292 -2.706 1.00 2.54 C ATOM 634 CD2 PHE A 42 20.163 4.764 -0.876 1.00 2.38 C ATOM 635 CE1 PHE A 42 21.112 3.020 -2.788 1.00 3.12 C ATOM 636 CE2 PHE A 42 21.515 4.495 -0.953 1.00 3.01 C ATOM 637 CZ PHE A 42 21.993 3.639 -1.920 1.00 3.32 C ATOM 0 H PHE A 42 17.921 7.203 -1.760 1.00 1.51 H new ATOM 0 HA PHE A 42 17.468 4.997 -3.699 1.00 1.41 H new ATOM 0 HB2 PHE A 42 17.577 4.849 -0.673 1.00 1.58 H new ATOM 0 HB3 PHE A 42 17.250 3.522 -1.770 1.00 1.58 H new ATOM 0 HD1 PHE A 42 19.079 2.817 -3.395 1.00 2.54 H new ATOM 0 HD2 PHE A 42 19.796 5.448 -0.125 1.00 2.38 H new ATOM 0 HE1 PHE A 42 21.480 2.325 -3.528 1.00 3.12 H new ATOM 0 HE2 PHE A 42 22.198 4.956 -0.255 1.00 3.01 H new ATOM 0 HZ PHE A 42 23.054 3.451 -2.000 1.00 3.32 H new ATOM 647 N PRO A 43 15.111 5.953 -3.653 1.00 1.24 N ATOM 648 CA PRO A 43 13.733 6.457 -3.632 1.00 1.33 C ATOM 649 C PRO A 43 12.709 5.415 -3.195 1.00 1.26 C ATOM 650 O PRO A 43 11.592 5.773 -2.812 1.00 1.97 O ATOM 651 CB PRO A 43 13.472 6.879 -5.086 1.00 1.58 C ATOM 652 CG PRO A 43 14.813 6.922 -5.736 1.00 1.75 C ATOM 653 CD PRO A 43 15.648 5.905 -5.021 1.00 1.40 C ATOM 0 HA PRO A 43 13.628 7.265 -2.908 1.00 1.33 H new ATOM 0 HB2 PRO A 43 12.815 6.169 -5.589 1.00 1.58 H new ATOM 0 HB3 PRO A 43 12.983 7.852 -5.130 1.00 1.58 H new ATOM 0 HG2 PRO A 43 14.740 6.690 -6.799 1.00 1.75 H new ATOM 0 HG3 PRO A 43 15.254 7.916 -5.656 1.00 1.75 H new ATOM 0 HD2 PRO A 43 15.545 4.914 -5.462 1.00 1.40 H new ATOM 0 HD3 PRO A 43 16.708 6.158 -5.050 1.00 1.40 H new ATOM 661 N LEU A 44 13.095 4.138 -3.256 1.00 0.98 N ATOM 662 CA LEU A 44 12.214 3.030 -2.876 1.00 0.82 C ATOM 663 C LEU A 44 11.060 2.860 -3.871 1.00 0.78 C ATOM 664 O LEU A 44 10.713 3.779 -4.613 1.00 0.98 O ATOM 665 CB LEU A 44 11.654 3.244 -1.462 1.00 0.83 C ATOM 666 CG LEU A 44 11.643 2.012 -0.557 1.00 0.70 C ATOM 667 CD1 LEU A 44 12.014 2.401 0.862 1.00 1.54 C ATOM 668 CD2 LEU A 44 10.277 1.347 -0.575 1.00 1.29 C ATOM 0 H LEU A 44 14.021 3.844 -3.568 1.00 0.98 H new ATOM 0 HA LEU A 44 12.813 2.120 -2.890 1.00 0.82 H new ATOM 0 HB2 LEU A 44 12.238 4.024 -0.974 1.00 0.83 H new ATOM 0 HB3 LEU A 44 10.633 3.617 -1.548 1.00 0.83 H new ATOM 0 HG LEU A 44 12.379 1.302 -0.934 1.00 0.70 H new ATOM 0 HD11 LEU A 44 12.003 1.515 1.497 1.00 1.54 H new ATOM 0 HD12 LEU A 44 13.012 2.840 0.870 1.00 1.54 H new ATOM 0 HD13 LEU A 44 11.295 3.127 1.240 1.00 1.54 H new ATOM 0 HD21 LEU A 44 10.290 0.472 0.075 1.00 1.29 H new ATOM 0 HD22 LEU A 44 9.525 2.052 -0.221 1.00 1.29 H new ATOM 0 HD23 LEU A 44 10.035 1.039 -1.592 1.00 1.29 H new ATOM 680 N LYS A 45 10.455 1.686 -3.847 1.00 0.70 N ATOM 681 CA LYS A 45 9.286 1.382 -4.656 1.00 0.68 C ATOM 682 C LYS A 45 8.279 0.639 -3.790 1.00 0.60 C ATOM 683 O LYS A 45 8.665 -0.159 -2.931 1.00 0.76 O ATOM 684 CB LYS A 45 9.672 0.532 -5.870 1.00 0.78 C ATOM 685 CG LYS A 45 9.556 1.272 -7.191 1.00 1.13 C ATOM 686 CD LYS A 45 9.185 0.330 -8.324 1.00 1.25 C ATOM 687 CE LYS A 45 9.526 0.928 -9.679 1.00 1.41 C ATOM 688 NZ LYS A 45 8.932 0.157 -10.802 1.00 1.75 N ATOM 0 H LYS A 45 10.763 0.910 -3.261 1.00 0.70 H new ATOM 0 HA LYS A 45 8.848 2.309 -5.026 1.00 0.68 H new ATOM 0 HB2 LYS A 45 10.697 0.183 -5.747 1.00 0.78 H new ATOM 0 HB3 LYS A 45 9.036 -0.352 -5.901 1.00 0.78 H new ATOM 0 HG2 LYS A 45 8.803 2.055 -7.106 1.00 1.13 H new ATOM 0 HG3 LYS A 45 10.502 1.763 -7.419 1.00 1.13 H new ATOM 0 HD2 LYS A 45 9.712 -0.616 -8.199 1.00 1.25 H new ATOM 0 HD3 LYS A 45 8.119 0.109 -8.281 1.00 1.25 H new ATOM 0 HE2 LYS A 45 9.169 1.957 -9.719 1.00 1.41 H new ATOM 0 HE3 LYS A 45 10.609 0.961 -9.797 1.00 1.41 H new ATOM 0 HZ1 LYS A 45 8.476 0.811 -11.470 1.00 1.75 H new ATOM 0 HZ2 LYS A 45 9.680 -0.373 -11.293 1.00 1.75 H new ATOM 0 HZ3 LYS A 45 8.224 -0.508 -10.430 1.00 1.75 H new ATOM 702 N PHE A 46 7.005 0.968 -3.928 1.00 0.46 N ATOM 703 CA PHE A 46 5.996 0.394 -3.057 1.00 0.41 C ATOM 704 C PHE A 46 5.083 -0.553 -3.820 1.00 0.44 C ATOM 705 O PHE A 46 4.602 -0.237 -4.911 1.00 0.58 O ATOM 706 CB PHE A 46 5.178 1.500 -2.385 1.00 0.42 C ATOM 707 CG PHE A 46 5.959 2.300 -1.378 1.00 0.37 C ATOM 708 CD1 PHE A 46 6.109 1.844 -0.077 1.00 0.41 C ATOM 709 CD2 PHE A 46 6.542 3.506 -1.730 1.00 0.45 C ATOM 710 CE1 PHE A 46 6.825 2.577 0.852 1.00 0.47 C ATOM 711 CE2 PHE A 46 7.257 4.243 -0.805 1.00 0.48 C ATOM 712 CZ PHE A 46 7.406 3.779 0.481 1.00 0.47 C ATOM 0 H PHE A 46 6.649 1.621 -4.626 1.00 0.46 H new ATOM 0 HA PHE A 46 6.507 -0.182 -2.286 1.00 0.41 H new ATOM 0 HB2 PHE A 46 4.794 2.173 -3.152 1.00 0.42 H new ATOM 0 HB3 PHE A 46 4.315 1.053 -1.891 1.00 0.42 H new ATOM 0 HD1 PHE A 46 5.661 0.905 0.214 1.00 0.41 H new ATOM 0 HD2 PHE A 46 6.437 3.875 -2.740 1.00 0.45 H new ATOM 0 HE1 PHE A 46 6.931 2.214 1.863 1.00 0.47 H new ATOM 0 HE2 PHE A 46 7.700 5.185 -1.093 1.00 0.48 H new ATOM 0 HZ PHE A 46 7.975 4.350 1.200 1.00 0.47 H new ATOM 722 N PHE A 47 4.834 -1.705 -3.220 1.00 0.40 N ATOM 723 CA PHE A 47 3.939 -2.697 -3.792 1.00 0.44 C ATOM 724 C PHE A 47 2.747 -2.884 -2.870 1.00 0.39 C ATOM 725 O PHE A 47 2.904 -2.916 -1.650 1.00 0.59 O ATOM 726 CB PHE A 47 4.663 -4.030 -4.004 1.00 0.55 C ATOM 727 CG PHE A 47 6.077 -3.880 -4.482 1.00 0.53 C ATOM 728 CD1 PHE A 47 6.340 -3.495 -5.784 1.00 0.60 C ATOM 729 CD2 PHE A 47 7.137 -4.133 -3.632 1.00 0.65 C ATOM 730 CE1 PHE A 47 7.638 -3.364 -6.230 1.00 0.68 C ATOM 731 CE2 PHE A 47 8.440 -4.004 -4.073 1.00 0.75 C ATOM 732 CZ PHE A 47 8.690 -3.584 -5.360 1.00 0.73 C ATOM 0 H PHE A 47 5.244 -1.978 -2.327 1.00 0.40 H new ATOM 0 HA PHE A 47 3.596 -2.346 -4.765 1.00 0.44 H new ATOM 0 HB2 PHE A 47 4.663 -4.586 -3.067 1.00 0.55 H new ATOM 0 HB3 PHE A 47 4.106 -4.625 -4.728 1.00 0.55 H new ATOM 0 HD1 PHE A 47 5.520 -3.295 -6.458 1.00 0.60 H new ATOM 0 HD2 PHE A 47 6.945 -4.435 -2.613 1.00 0.65 H new ATOM 0 HE1 PHE A 47 7.833 -3.090 -7.256 1.00 0.68 H new ATOM 0 HE2 PHE A 47 9.261 -4.232 -3.409 1.00 0.75 H new ATOM 0 HZ PHE A 47 9.706 -3.427 -5.690 1.00 0.73 H new ATOM 742 N LEU A 48 1.554 -2.836 -3.437 1.00 0.33 N ATOM 743 CA LEU A 48 0.342 -2.797 -2.634 1.00 0.35 C ATOM 744 C LEU A 48 -0.701 -3.795 -3.133 1.00 0.35 C ATOM 745 O LEU A 48 -0.961 -3.890 -4.331 1.00 0.57 O ATOM 746 CB LEU A 48 -0.215 -1.365 -2.673 1.00 0.44 C ATOM 747 CG LEU A 48 -1.598 -1.159 -2.059 1.00 0.72 C ATOM 748 CD1 LEU A 48 -1.587 0.048 -1.138 1.00 1.02 C ATOM 749 CD2 LEU A 48 -2.641 -0.979 -3.150 1.00 1.05 C ATOM 0 H LEU A 48 1.398 -2.823 -4.445 1.00 0.33 H new ATOM 0 HA LEU A 48 0.582 -3.082 -1.610 1.00 0.35 H new ATOM 0 HB2 LEU A 48 0.488 -0.710 -2.159 1.00 0.44 H new ATOM 0 HB3 LEU A 48 -0.251 -1.040 -3.713 1.00 0.44 H new ATOM 0 HG LEU A 48 -1.856 -2.043 -1.476 1.00 0.72 H new ATOM 0 HD11 LEU A 48 -2.578 0.185 -0.706 1.00 1.02 H new ATOM 0 HD12 LEU A 48 -0.862 -0.110 -0.340 1.00 1.02 H new ATOM 0 HD13 LEU A 48 -1.313 0.937 -1.706 1.00 1.02 H new ATOM 0 HD21 LEU A 48 -3.621 -0.833 -2.696 1.00 1.05 H new ATOM 0 HD22 LEU A 48 -2.388 -0.108 -3.755 1.00 1.05 H new ATOM 0 HD23 LEU A 48 -2.663 -1.866 -3.783 1.00 1.05 H new ATOM 761 N ARG A 49 -1.386 -4.439 -2.195 1.00 0.26 N ATOM 762 CA ARG A 49 -2.541 -5.271 -2.522 1.00 0.27 C ATOM 763 C ARG A 49 -3.687 -4.916 -1.590 1.00 0.24 C ATOM 764 O ARG A 49 -3.453 -4.543 -0.447 1.00 0.30 O ATOM 765 CB ARG A 49 -2.248 -6.773 -2.405 1.00 0.34 C ATOM 766 CG ARG A 49 -1.059 -7.129 -1.537 1.00 0.44 C ATOM 767 CD ARG A 49 -0.100 -8.052 -2.272 1.00 0.75 C ATOM 768 NE ARG A 49 -0.487 -9.461 -2.155 1.00 1.07 N ATOM 769 CZ ARG A 49 0.212 -10.374 -1.478 1.00 1.28 C ATOM 770 NH1 ARG A 49 1.315 -10.021 -0.832 1.00 1.64 N ATOM 771 NH2 ARG A 49 -0.187 -11.641 -1.453 1.00 2.02 N ATOM 0 H ARG A 49 -1.162 -4.402 -1.201 1.00 0.26 H new ATOM 0 HA ARG A 49 -2.800 -5.071 -3.562 1.00 0.27 H new ATOM 0 HB2 ARG A 49 -3.132 -7.270 -2.005 1.00 0.34 H new ATOM 0 HB3 ARG A 49 -2.082 -7.174 -3.405 1.00 0.34 H new ATOM 0 HG2 ARG A 49 -0.537 -6.220 -1.240 1.00 0.44 H new ATOM 0 HG3 ARG A 49 -1.404 -7.612 -0.623 1.00 0.44 H new ATOM 0 HD2 ARG A 49 -0.065 -7.773 -3.325 1.00 0.75 H new ATOM 0 HD3 ARG A 49 0.906 -7.919 -1.874 1.00 0.75 H new ATOM 0 HE ARG A 49 -1.344 -9.762 -2.620 1.00 1.07 H new ATOM 0 HH11 ARG A 49 1.630 -9.051 -0.852 1.00 1.64 H new ATOM 0 HH12 ARG A 49 1.849 -10.720 -0.315 1.00 1.64 H new ATOM 0 HH21 ARG A 49 -1.031 -11.920 -1.953 1.00 2.02 H new ATOM 0 HH22 ARG A 49 0.351 -12.335 -0.934 1.00 2.02 H new ATOM 785 N TYR A 50 -4.913 -5.051 -2.065 1.00 0.26 N ATOM 786 CA TYR A 50 -6.077 -4.735 -1.250 1.00 0.27 C ATOM 787 C TYR A 50 -7.087 -5.878 -1.285 1.00 0.28 C ATOM 788 O TYR A 50 -7.749 -6.114 -2.295 1.00 0.36 O ATOM 789 CB TYR A 50 -6.733 -3.418 -1.701 1.00 0.35 C ATOM 790 CG TYR A 50 -6.694 -3.151 -3.195 1.00 0.49 C ATOM 791 CD1 TYR A 50 -5.519 -2.740 -3.816 1.00 0.70 C ATOM 792 CD2 TYR A 50 -7.820 -3.334 -3.990 1.00 0.60 C ATOM 793 CE1 TYR A 50 -5.472 -2.514 -5.177 1.00 0.90 C ATOM 794 CE2 TYR A 50 -7.777 -3.116 -5.353 1.00 0.79 C ATOM 795 CZ TYR A 50 -6.644 -2.616 -5.927 1.00 0.90 C ATOM 796 OH TYR A 50 -6.556 -2.489 -7.303 1.00 1.13 O ATOM 0 H TYR A 50 -5.130 -5.376 -3.007 1.00 0.26 H new ATOM 0 HA TYR A 50 -5.738 -4.605 -0.222 1.00 0.27 H new ATOM 0 HB2 TYR A 50 -7.773 -3.420 -1.376 1.00 0.35 H new ATOM 0 HB3 TYR A 50 -6.240 -2.592 -1.188 1.00 0.35 H new ATOM 0 HD1 TYR A 50 -4.628 -2.595 -3.223 1.00 0.70 H new ATOM 0 HD2 TYR A 50 -8.745 -3.653 -3.533 1.00 0.60 H new ATOM 0 HE1 TYR A 50 -4.538 -2.261 -5.656 1.00 0.90 H new ATOM 0 HE2 TYR A 50 -8.639 -3.341 -5.964 1.00 0.79 H new ATOM 0 HH TYR A 50 -7.448 -2.583 -7.698 1.00 1.13 H new ATOM 806 N ARG A 51 -7.127 -6.634 -0.201 1.00 0.29 N ATOM 807 CA ARG A 51 -8.013 -7.785 -0.085 1.00 0.34 C ATOM 808 C ARG A 51 -9.349 -7.392 0.544 1.00 0.29 C ATOM 809 O ARG A 51 -9.390 -6.872 1.658 1.00 0.33 O ATOM 810 CB ARG A 51 -7.341 -8.872 0.759 1.00 0.46 C ATOM 811 CG ARG A 51 -8.093 -10.190 0.791 1.00 0.64 C ATOM 812 CD ARG A 51 -8.011 -10.839 2.163 1.00 1.25 C ATOM 813 NE ARG A 51 -9.237 -11.557 2.498 1.00 1.72 N ATOM 814 CZ ARG A 51 -9.521 -12.035 3.709 1.00 2.29 C ATOM 815 NH1 ARG A 51 -8.670 -11.871 4.713 1.00 2.62 N ATOM 816 NH2 ARG A 51 -10.659 -12.684 3.912 1.00 3.10 N ATOM 0 H ARG A 51 -6.549 -6.470 0.623 1.00 0.29 H new ATOM 0 HA ARG A 51 -8.209 -8.168 -1.087 1.00 0.34 H new ATOM 0 HB2 ARG A 51 -6.338 -9.049 0.371 1.00 0.46 H new ATOM 0 HB3 ARG A 51 -7.229 -8.506 1.780 1.00 0.46 H new ATOM 0 HG2 ARG A 51 -9.137 -10.022 0.528 1.00 0.64 H new ATOM 0 HG3 ARG A 51 -7.680 -10.865 0.042 1.00 0.64 H new ATOM 0 HD2 ARG A 51 -7.167 -11.529 2.189 1.00 1.25 H new ATOM 0 HD3 ARG A 51 -7.821 -10.074 2.916 1.00 1.25 H new ATOM 0 HE ARG A 51 -9.922 -11.702 1.756 1.00 1.72 H new ATOM 0 HH11 ARG A 51 -7.791 -11.376 4.561 1.00 2.62 H new ATOM 0 HH12 ARG A 51 -8.894 -12.240 5.637 1.00 2.62 H new ATOM 0 HH21 ARG A 51 -11.315 -12.817 3.142 1.00 3.10 H new ATOM 0 HH22 ARG A 51 -10.879 -13.051 4.838 1.00 3.10 H new ATOM 830 N PRO A 52 -10.462 -7.674 -0.145 1.00 0.32 N ATOM 831 CA PRO A 52 -11.797 -7.434 0.394 1.00 0.38 C ATOM 832 C PRO A 52 -12.121 -8.405 1.522 1.00 0.44 C ATOM 833 O PRO A 52 -11.750 -9.576 1.459 1.00 0.51 O ATOM 834 CB PRO A 52 -12.720 -7.684 -0.802 1.00 0.52 C ATOM 835 CG PRO A 52 -11.957 -8.604 -1.692 1.00 0.65 C ATOM 836 CD PRO A 52 -10.502 -8.283 -1.487 1.00 0.45 C ATOM 0 HA PRO A 52 -11.900 -6.435 0.818 1.00 0.38 H new ATOM 0 HB2 PRO A 52 -13.662 -8.132 -0.486 1.00 0.52 H new ATOM 0 HB3 PRO A 52 -12.965 -6.753 -1.313 1.00 0.52 H new ATOM 0 HG2 PRO A 52 -12.164 -9.645 -1.444 1.00 0.65 H new ATOM 0 HG3 PRO A 52 -12.243 -8.462 -2.734 1.00 0.65 H new ATOM 0 HD2 PRO A 52 -9.884 -9.179 -1.538 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -10.133 -7.597 -2.249 1.00 0.45 H new ATOM 844 N LEU A 53 -12.816 -7.928 2.548 1.00 0.50 N ATOM 845 CA LEU A 53 -13.164 -8.767 3.697 1.00 0.65 C ATOM 846 C LEU A 53 -14.260 -9.771 3.344 1.00 0.81 C ATOM 847 O LEU A 53 -14.780 -10.471 4.214 1.00 1.22 O ATOM 848 CB LEU A 53 -13.614 -7.899 4.875 1.00 0.70 C ATOM 849 CG LEU A 53 -12.761 -8.028 6.138 1.00 0.82 C ATOM 850 CD1 LEU A 53 -11.399 -7.383 5.933 1.00 1.32 C ATOM 851 CD2 LEU A 53 -13.474 -7.405 7.327 1.00 1.40 C ATOM 0 H LEU A 53 -13.151 -6.967 2.611 1.00 0.50 H new ATOM 0 HA LEU A 53 -12.271 -9.324 3.981 1.00 0.65 H new ATOM 0 HB2 LEU A 53 -13.613 -6.856 4.559 1.00 0.70 H new ATOM 0 HB3 LEU A 53 -14.644 -8.156 5.123 1.00 0.70 H new ATOM 0 HG LEU A 53 -12.610 -9.088 6.344 1.00 0.82 H new ATOM 0 HD11 LEU A 53 -10.807 -7.485 6.843 1.00 1.32 H new ATOM 0 HD12 LEU A 53 -10.884 -7.875 5.108 1.00 1.32 H new ATOM 0 HD13 LEU A 53 -11.528 -6.326 5.701 1.00 1.32 H new ATOM 0 HD21 LEU A 53 -12.853 -7.506 8.217 1.00 1.40 H new ATOM 0 HD22 LEU A 53 -13.656 -6.349 7.129 1.00 1.40 H new ATOM 0 HD23 LEU A 53 -14.425 -7.913 7.488 1.00 1.40 H new ATOM 863 N ILE A 54 -14.604 -9.847 2.067 1.00 0.85 N ATOM 864 CA ILE A 54 -15.624 -10.778 1.607 1.00 1.01 C ATOM 865 C ILE A 54 -15.041 -11.785 0.630 1.00 1.08 C ATOM 866 O ILE A 54 -15.765 -12.609 0.075 1.00 1.34 O ATOM 867 CB ILE A 54 -16.788 -10.048 0.909 1.00 1.16 C ATOM 868 CG1 ILE A 54 -16.253 -8.925 0.014 1.00 1.12 C ATOM 869 CG2 ILE A 54 -17.764 -9.503 1.937 1.00 1.27 C ATOM 870 CD1 ILE A 54 -17.241 -8.452 -1.031 1.00 1.46 C ATOM 0 H ILE A 54 -14.192 -9.275 1.330 1.00 0.85 H new ATOM 0 HA ILE A 54 -15.998 -11.290 2.494 1.00 1.01 H new ATOM 0 HB ILE A 54 -17.321 -10.761 0.279 1.00 1.16 H new ATOM 0 HG12 ILE A 54 -15.968 -8.079 0.640 1.00 1.12 H new ATOM 0 HG13 ILE A 54 -15.348 -9.271 -0.486 1.00 1.12 H new ATOM 0 HG21 ILE A 54 -18.580 -8.990 1.428 1.00 1.27 H new ATOM 0 HG22 ILE A 54 -18.165 -10.325 2.529 1.00 1.27 H new ATOM 0 HG23 ILE A 54 -17.248 -8.802 2.593 1.00 1.27 H new ATOM 0 HD11 ILE A 54 -16.790 -7.657 -1.625 1.00 1.46 H new ATOM 0 HD12 ILE A 54 -17.508 -9.284 -1.682 1.00 1.46 H new ATOM 0 HD13 ILE A 54 -18.137 -8.074 -0.539 1.00 1.46 H new ATOM 882 N LEU A 55 -13.745 -11.685 0.373 1.00 0.95 N ATOM 883 CA LEU A 55 -13.100 -12.560 -0.591 1.00 1.10 C ATOM 884 C LEU A 55 -11.671 -12.846 -0.178 1.00 1.12 C ATOM 885 O LEU A 55 -11.140 -12.213 0.731 1.00 1.51 O ATOM 886 CB LEU A 55 -13.102 -11.911 -1.978 1.00 1.25 C ATOM 887 CG LEU A 55 -14.237 -12.343 -2.906 1.00 1.48 C ATOM 888 CD1 LEU A 55 -15.062 -11.140 -3.331 1.00 1.69 C ATOM 889 CD2 LEU A 55 -13.679 -13.064 -4.124 1.00 2.11 C ATOM 0 H LEU A 55 -13.123 -11.009 0.817 1.00 0.95 H new ATOM 0 HA LEU A 55 -13.657 -13.496 -0.625 1.00 1.10 H new ATOM 0 HB2 LEU A 55 -13.150 -10.829 -1.853 1.00 1.25 H new ATOM 0 HB3 LEU A 55 -12.153 -12.134 -2.465 1.00 1.25 H new ATOM 0 HG LEU A 55 -14.886 -13.031 -2.364 1.00 1.48 H new ATOM 0 HD11 LEU A 55 -15.866 -11.465 -3.991 1.00 1.69 H new ATOM 0 HD12 LEU A 55 -15.488 -10.661 -2.449 1.00 1.69 H new ATOM 0 HD13 LEU A 55 -14.425 -10.430 -3.858 1.00 1.69 H new ATOM 0 HD21 LEU A 55 -14.499 -13.366 -4.776 1.00 2.11 H new ATOM 0 HD22 LEU A 55 -13.010 -12.396 -4.667 1.00 2.11 H new ATOM 0 HD23 LEU A 55 -13.127 -13.947 -3.803 1.00 2.11 H new ATOM 901 N ASP A 56 -11.015 -13.691 -0.947 1.00 1.38 N ATOM 902 CA ASP A 56 -9.597 -13.955 -0.762 1.00 1.54 C ATOM 903 C ASP A 56 -8.859 -13.532 -2.022 1.00 1.19 C ATOM 904 O ASP A 56 -8.418 -14.361 -2.818 1.00 1.44 O ATOM 905 CB ASP A 56 -9.355 -15.436 -0.463 1.00 2.08 C ATOM 906 CG ASP A 56 -7.908 -15.737 -0.115 1.00 2.58 C ATOM 907 OD1 ASP A 56 -7.155 -14.801 0.227 1.00 2.90 O ATOM 908 OD2 ASP A 56 -7.515 -16.920 -0.186 1.00 2.89 O ATOM 0 H ASP A 56 -11.443 -14.212 -1.713 1.00 1.38 H new ATOM 0 HA ASP A 56 -9.226 -13.386 0.090 1.00 1.54 H new ATOM 0 HB2 ASP A 56 -9.995 -15.744 0.364 1.00 2.08 H new ATOM 0 HB3 ASP A 56 -9.647 -16.029 -1.330 1.00 2.08 H new ATOM 913 N GLN A 57 -8.892 -12.236 -2.278 1.00 0.83 N ATOM 914 CA GLN A 57 -8.375 -11.686 -3.511 1.00 0.93 C ATOM 915 C GLN A 57 -7.287 -10.669 -3.218 1.00 0.79 C ATOM 916 O GLN A 57 -7.570 -9.520 -2.873 1.00 0.82 O ATOM 917 CB GLN A 57 -9.514 -11.038 -4.304 1.00 1.30 C ATOM 918 CG GLN A 57 -9.059 -10.362 -5.583 1.00 1.81 C ATOM 919 CD GLN A 57 -9.765 -9.042 -5.831 1.00 2.19 C ATOM 920 OE1 GLN A 57 -10.512 -8.897 -6.797 1.00 2.89 O ATOM 921 NE2 GLN A 57 -9.533 -8.071 -4.961 1.00 2.43 N ATOM 0 H GLN A 57 -9.277 -11.541 -1.638 1.00 0.83 H new ATOM 0 HA GLN A 57 -7.942 -12.489 -4.107 1.00 0.93 H new ATOM 0 HB2 GLN A 57 -10.253 -11.800 -4.550 1.00 1.30 H new ATOM 0 HB3 GLN A 57 -10.012 -10.303 -3.672 1.00 1.30 H new ATOM 0 HG2 GLN A 57 -7.984 -10.191 -5.536 1.00 1.81 H new ATOM 0 HG3 GLN A 57 -9.239 -11.029 -6.426 1.00 1.81 H new ATOM 0 HE21 GLN A 57 -8.906 -8.232 -4.172 1.00 2.43 H new ATOM 0 HE22 GLN A 57 -9.981 -7.162 -5.079 1.00 2.43 H new ATOM 930 N TRP A 58 -6.046 -11.094 -3.361 1.00 0.73 N ATOM 931 CA TRP A 58 -4.918 -10.229 -3.139 1.00 0.63 C ATOM 932 C TRP A 58 -4.555 -9.529 -4.432 1.00 0.67 C ATOM 933 O TRP A 58 -4.367 -10.170 -5.466 1.00 0.76 O ATOM 934 CB TRP A 58 -3.744 -11.031 -2.585 1.00 0.71 C ATOM 935 CG TRP A 58 -3.698 -10.991 -1.092 1.00 0.70 C ATOM 936 CD1 TRP A 58 -3.527 -12.038 -0.233 1.00 0.85 C ATOM 937 CD2 TRP A 58 -3.852 -9.829 -0.284 1.00 0.57 C ATOM 938 NE1 TRP A 58 -3.548 -11.584 1.064 1.00 0.84 N ATOM 939 CE2 TRP A 58 -3.747 -10.229 1.058 1.00 0.67 C ATOM 940 CE3 TRP A 58 -4.062 -8.485 -0.571 1.00 0.44 C ATOM 941 CZ2 TRP A 58 -3.848 -9.320 2.107 1.00 0.64 C ATOM 942 CZ3 TRP A 58 -4.161 -7.589 0.463 1.00 0.39 C ATOM 943 CH2 TRP A 58 -4.053 -8.006 1.784 1.00 0.49 C ATOM 0 H TRP A 58 -5.799 -12.045 -3.633 1.00 0.73 H new ATOM 0 HA TRP A 58 -5.175 -9.469 -2.401 1.00 0.63 H new ATOM 0 HB2 TRP A 58 -3.822 -12.066 -2.918 1.00 0.71 H new ATOM 0 HB3 TRP A 58 -2.812 -10.635 -2.988 1.00 0.71 H new ATOM 0 HD1 TRP A 58 -3.395 -13.068 -0.528 1.00 0.85 H new ATOM 0 HE1 TRP A 58 -3.434 -12.163 1.896 1.00 0.84 H new ATOM 0 HE3 TRP A 58 -4.146 -8.151 -1.595 1.00 0.44 H new ATOM 0 HZ2 TRP A 58 -3.768 -9.639 3.136 1.00 0.64 H new ATOM 0 HZ3 TRP A 58 -4.325 -6.544 0.247 1.00 0.39 H new ATOM 0 HH2 TRP A 58 -4.133 -7.275 2.575 1.00 0.49 H new ATOM 954 N GLN A 59 -4.622 -8.212 -4.403 1.00 0.70 N ATOM 955 CA GLN A 59 -4.450 -7.422 -5.613 1.00 0.79 C ATOM 956 C GLN A 59 -2.977 -7.120 -5.867 1.00 0.95 C ATOM 957 O GLN A 59 -2.101 -7.685 -5.217 1.00 1.64 O ATOM 958 CB GLN A 59 -5.267 -6.137 -5.514 1.00 1.06 C ATOM 959 CG GLN A 59 -6.453 -6.113 -6.464 1.00 1.36 C ATOM 960 CD GLN A 59 -6.027 -6.059 -7.915 1.00 1.68 C ATOM 961 OE1 GLN A 59 -5.014 -5.445 -8.250 1.00 2.39 O ATOM 962 NE2 GLN A 59 -6.785 -6.701 -8.785 1.00 2.14 N ATOM 0 H GLN A 59 -4.794 -7.665 -3.559 1.00 0.70 H new ATOM 0 HA GLN A 59 -4.813 -8.001 -6.462 1.00 0.79 H new ATOM 0 HB2 GLN A 59 -5.625 -6.019 -4.491 1.00 1.06 H new ATOM 0 HB3 GLN A 59 -4.621 -5.285 -5.726 1.00 1.06 H new ATOM 0 HG2 GLN A 59 -7.065 -7.000 -6.300 1.00 1.36 H new ATOM 0 HG3 GLN A 59 -7.078 -5.249 -6.239 1.00 1.36 H new ATOM 0 HE21 GLN A 59 -7.617 -7.198 -8.467 1.00 2.14 H new ATOM 0 HE22 GLN A 59 -6.539 -6.700 -9.775 1.00 2.14 H new ATOM 971 N HIS A 60 -2.702 -6.317 -6.883 1.00 0.80 N ATOM 972 CA HIS A 60 -1.328 -6.047 -7.274 1.00 1.11 C ATOM 973 C HIS A 60 -1.179 -4.646 -7.853 1.00 0.88 C ATOM 974 O HIS A 60 -1.501 -4.403 -9.015 1.00 1.12 O ATOM 975 CB HIS A 60 -0.866 -7.089 -8.296 1.00 1.75 C ATOM 976 CG HIS A 60 0.619 -7.156 -8.477 1.00 1.87 C ATOM 977 ND1 HIS A 60 1.229 -6.993 -9.698 1.00 2.49 N ATOM 978 CD2 HIS A 60 1.616 -7.374 -7.586 1.00 2.11 C ATOM 979 CE1 HIS A 60 2.535 -7.106 -9.556 1.00 2.81 C ATOM 980 NE2 HIS A 60 2.801 -7.338 -8.283 1.00 2.58 N ATOM 0 H HIS A 60 -3.407 -5.844 -7.448 1.00 0.80 H new ATOM 0 HA HIS A 60 -0.704 -6.108 -6.383 1.00 1.11 H new ATOM 0 HB2 HIS A 60 -1.228 -8.070 -7.987 1.00 1.75 H new ATOM 0 HB3 HIS A 60 -1.328 -6.868 -9.258 1.00 1.75 H new ATOM 0 HD2 HIS A 60 1.502 -7.544 -6.526 1.00 2.11 H new ATOM 0 HE1 HIS A 60 3.265 -7.023 -10.348 1.00 2.81 H new ATOM 0 HE2 HIS A 60 3.730 -7.469 -7.884 1.00 2.58 H new ATOM 989 N VAL A 61 -0.672 -3.736 -7.037 1.00 0.60 N ATOM 990 CA VAL A 61 -0.420 -2.370 -7.463 1.00 0.59 C ATOM 991 C VAL A 61 1.051 -2.034 -7.275 1.00 0.51 C ATOM 992 O VAL A 61 1.608 -2.229 -6.194 1.00 0.55 O ATOM 993 CB VAL A 61 -1.285 -1.356 -6.678 1.00 0.87 C ATOM 994 CG1 VAL A 61 -0.837 0.071 -6.949 1.00 1.32 C ATOM 995 CG2 VAL A 61 -2.755 -1.529 -7.029 1.00 1.48 C ATOM 0 H VAL A 61 -0.425 -3.923 -6.065 1.00 0.60 H new ATOM 0 HA VAL A 61 -0.688 -2.297 -8.517 1.00 0.59 H new ATOM 0 HB VAL A 61 -1.154 -1.553 -5.614 1.00 0.87 H new ATOM 0 HG11 VAL A 61 -1.463 0.762 -6.384 1.00 1.32 H new ATOM 0 HG12 VAL A 61 0.203 0.190 -6.644 1.00 1.32 H new ATOM 0 HG13 VAL A 61 -0.929 0.285 -8.014 1.00 1.32 H new ATOM 0 HG21 VAL A 61 -3.350 -0.808 -6.468 1.00 1.48 H new ATOM 0 HG22 VAL A 61 -2.896 -1.363 -8.097 1.00 1.48 H new ATOM 0 HG23 VAL A 61 -3.074 -2.540 -6.773 1.00 1.48 H new ATOM 1005 N GLU A 62 1.681 -1.576 -8.342 1.00 0.81 N ATOM 1006 CA GLU A 62 3.087 -1.216 -8.311 1.00 1.05 C ATOM 1007 C GLU A 62 3.252 0.265 -8.620 1.00 0.71 C ATOM 1008 O GLU A 62 2.658 0.777 -9.572 1.00 0.80 O ATOM 1009 CB GLU A 62 3.870 -2.053 -9.322 1.00 1.61 C ATOM 1010 CG GLU A 62 5.283 -2.380 -8.876 1.00 2.42 C ATOM 1011 CD GLU A 62 6.228 -2.586 -10.040 1.00 3.17 C ATOM 1012 OE1 GLU A 62 6.194 -3.671 -10.655 1.00 3.60 O ATOM 1013 OE2 GLU A 62 7.013 -1.660 -10.345 1.00 3.63 O ATOM 0 H GLU A 62 1.235 -1.444 -9.250 1.00 0.81 H new ATOM 0 HA GLU A 62 3.479 -1.416 -7.314 1.00 1.05 H new ATOM 0 HB2 GLU A 62 3.332 -2.983 -9.506 1.00 1.61 H new ATOM 0 HB3 GLU A 62 3.912 -1.517 -10.270 1.00 1.61 H new ATOM 0 HG2 GLU A 62 5.658 -1.572 -8.247 1.00 2.42 H new ATOM 0 HG3 GLU A 62 5.267 -3.281 -8.262 1.00 2.42 H new ATOM 1020 N LEU A 63 4.016 0.957 -7.793 1.00 0.61 N ATOM 1021 CA LEU A 63 4.229 2.381 -7.975 1.00 0.71 C ATOM 1022 C LEU A 63 5.664 2.757 -7.647 1.00 0.75 C ATOM 1023 O LEU A 63 6.262 2.206 -6.720 1.00 0.94 O ATOM 1024 CB LEU A 63 3.264 3.186 -7.105 1.00 0.97 C ATOM 1025 CG LEU A 63 2.999 2.618 -5.711 1.00 0.92 C ATOM 1026 CD1 LEU A 63 3.705 3.460 -4.662 1.00 1.33 C ATOM 1027 CD2 LEU A 63 1.505 2.565 -5.430 1.00 1.18 C ATOM 0 H LEU A 63 4.499 0.556 -6.989 1.00 0.61 H new ATOM 0 HA LEU A 63 4.038 2.619 -9.021 1.00 0.71 H new ATOM 0 HB2 LEU A 63 3.658 4.197 -6.997 1.00 0.97 H new ATOM 0 HB3 LEU A 63 2.313 3.269 -7.631 1.00 0.97 H new ATOM 0 HG LEU A 63 3.391 1.602 -5.669 1.00 0.92 H new ATOM 0 HD11 LEU A 63 3.510 3.047 -3.672 1.00 1.33 H new ATOM 0 HD12 LEU A 63 4.778 3.454 -4.853 1.00 1.33 H new ATOM 0 HD13 LEU A 63 3.334 4.484 -4.707 1.00 1.33 H new ATOM 0 HD21 LEU A 63 1.337 2.158 -4.433 1.00 1.18 H new ATOM 0 HD22 LEU A 63 1.088 3.571 -5.486 1.00 1.18 H new ATOM 0 HD23 LEU A 63 1.018 1.928 -6.169 1.00 1.18 H new ATOM 1039 N SER A 64 6.207 3.697 -8.407 1.00 0.78 N ATOM 1040 CA SER A 64 7.563 4.162 -8.193 1.00 0.89 C ATOM 1041 C SER A 64 7.650 4.966 -6.900 1.00 0.82 C ATOM 1042 O SER A 64 8.453 4.660 -6.021 1.00 1.57 O ATOM 1043 CB SER A 64 8.012 5.014 -9.379 1.00 1.13 C ATOM 1044 OG SER A 64 6.957 5.161 -10.322 1.00 1.36 O ATOM 0 H SER A 64 5.723 4.153 -9.181 1.00 0.78 H new ATOM 0 HA SER A 64 8.223 3.299 -8.107 1.00 0.89 H new ATOM 0 HB2 SER A 64 8.331 5.995 -9.028 1.00 1.13 H new ATOM 0 HB3 SER A 64 8.874 4.551 -9.860 1.00 1.13 H new ATOM 0 HG SER A 64 6.807 4.308 -10.781 1.00 1.36 H new ATOM 1050 N ASN A 65 6.795 5.973 -6.774 1.00 1.03 N ATOM 1051 CA ASN A 65 6.779 6.808 -5.580 1.00 0.94 C ATOM 1052 C ASN A 65 5.424 7.474 -5.399 1.00 0.82 C ATOM 1053 O ASN A 65 5.335 8.620 -4.956 1.00 1.16 O ATOM 1054 CB ASN A 65 7.882 7.867 -5.646 1.00 1.03 C ATOM 1055 CG ASN A 65 8.817 7.793 -4.455 1.00 1.41 C ATOM 1056 OD1 ASN A 65 8.997 8.771 -3.727 1.00 2.04 O ATOM 1057 ND2 ASN A 65 9.408 6.627 -4.245 1.00 1.97 N ATOM 0 H ASN A 65 6.106 6.231 -7.481 1.00 1.03 H new ATOM 0 HA ASN A 65 6.963 6.164 -4.720 1.00 0.94 H new ATOM 0 HB2 ASN A 65 8.455 7.736 -6.564 1.00 1.03 H new ATOM 0 HB3 ASN A 65 7.430 8.858 -5.690 1.00 1.03 H new ATOM 0 HD21 ASN A 65 10.042 6.512 -3.454 1.00 1.97 H new ATOM 0 HD22 ASN A 65 9.229 5.844 -4.874 1.00 1.97 H new ATOM 1064 N GLY A 66 4.367 6.724 -5.677 1.00 0.69 N ATOM 1065 CA GLY A 66 3.027 7.221 -5.446 1.00 0.66 C ATOM 1066 C GLY A 66 2.634 7.078 -3.992 1.00 0.61 C ATOM 1067 O GLY A 66 1.990 6.105 -3.614 1.00 0.87 O ATOM 0 H GLY A 66 4.414 5.779 -6.059 1.00 0.69 H new ATOM 0 HA2 GLY A 66 2.969 8.269 -5.740 1.00 0.66 H new ATOM 0 HA3 GLY A 66 2.321 6.675 -6.072 1.00 0.66 H new ATOM 1071 N THR A 67 3.129 7.989 -3.168 1.00 0.40 N ATOM 1072 CA THR A 67 2.954 7.912 -1.725 1.00 0.41 C ATOM 1073 C THR A 67 1.503 8.160 -1.336 1.00 0.36 C ATOM 1074 O THR A 67 1.002 7.606 -0.357 1.00 0.39 O ATOM 1075 CB THR A 67 3.866 8.934 -1.026 1.00 0.57 C ATOM 1076 OG1 THR A 67 4.426 9.822 -2.004 1.00 0.63 O ATOM 1077 CG2 THR A 67 4.990 8.234 -0.278 1.00 0.70 C ATOM 0 H THR A 67 3.662 8.801 -3.479 1.00 0.40 H new ATOM 0 HA THR A 67 3.228 6.907 -1.404 1.00 0.41 H new ATOM 0 HB THR A 67 3.269 9.497 -0.309 1.00 0.57 H new ATOM 0 HG1 THR A 67 5.006 10.475 -1.559 1.00 0.63 H new ATOM 0 HG21 THR A 67 5.622 8.977 0.208 1.00 0.70 H new ATOM 0 HG22 THR A 67 4.567 7.569 0.475 1.00 0.70 H new ATOM 0 HG23 THR A 67 5.588 7.653 -0.980 1.00 0.70 H new ATOM 1085 N ALA A 68 0.811 8.915 -2.171 1.00 0.44 N ATOM 1086 CA ALA A 68 -0.609 9.148 -1.999 1.00 0.47 C ATOM 1087 C ALA A 68 -1.373 8.452 -3.112 1.00 0.47 C ATOM 1088 O ALA A 68 -1.759 9.076 -4.103 1.00 0.55 O ATOM 1089 CB ALA A 68 -0.907 10.638 -1.989 1.00 0.59 C ATOM 0 H ALA A 68 1.216 9.381 -2.983 1.00 0.44 H new ATOM 0 HA ALA A 68 -0.927 8.738 -1.041 1.00 0.47 H new ATOM 0 HB1 ALA A 68 -1.978 10.794 -1.859 1.00 0.59 H new ATOM 0 HB2 ALA A 68 -0.369 11.111 -1.168 1.00 0.59 H new ATOM 0 HB3 ALA A 68 -0.588 11.079 -2.933 1.00 0.59 H new ATOM 1095 N HIS A 69 -1.508 7.142 -2.989 1.00 0.43 N ATOM 1096 CA HIS A 69 -2.142 6.346 -4.028 1.00 0.45 C ATOM 1097 C HIS A 69 -3.649 6.270 -3.802 1.00 0.40 C ATOM 1098 O HIS A 69 -4.109 6.068 -2.683 1.00 0.80 O ATOM 1099 CB HIS A 69 -1.540 4.938 -4.074 1.00 0.52 C ATOM 1100 CG HIS A 69 -1.940 4.150 -5.286 1.00 0.62 C ATOM 1101 ND1 HIS A 69 -1.383 4.341 -6.531 1.00 1.03 N ATOM 1102 CD2 HIS A 69 -2.865 3.171 -5.438 1.00 0.65 C ATOM 1103 CE1 HIS A 69 -1.948 3.521 -7.395 1.00 1.03 C ATOM 1104 NE2 HIS A 69 -2.850 2.801 -6.759 1.00 0.75 N ATOM 0 H HIS A 69 -1.188 6.607 -2.182 1.00 0.43 H new ATOM 0 HA HIS A 69 -1.959 6.831 -4.987 1.00 0.45 H new ATOM 0 HB2 HIS A 69 -0.453 5.016 -4.045 1.00 0.52 H new ATOM 0 HB3 HIS A 69 -1.844 4.393 -3.181 1.00 0.52 H new ATOM 0 HD2 HIS A 69 -3.496 2.759 -4.664 1.00 0.65 H new ATOM 0 HE1 HIS A 69 -1.712 3.451 -8.446 1.00 1.03 H new ATOM 0 HE2 HIS A 69 -3.441 2.085 -7.181 1.00 0.75 H new ATOM 1113 N THR A 70 -4.410 6.418 -4.870 1.00 0.41 N ATOM 1114 CA THR A 70 -5.860 6.380 -4.781 1.00 0.44 C ATOM 1115 C THR A 70 -6.423 5.171 -5.520 1.00 0.47 C ATOM 1116 O THR A 70 -6.241 5.029 -6.730 1.00 0.72 O ATOM 1117 CB THR A 70 -6.484 7.665 -5.359 1.00 0.60 C ATOM 1118 OG1 THR A 70 -5.487 8.698 -5.452 1.00 0.94 O ATOM 1119 CG2 THR A 70 -7.639 8.140 -4.494 1.00 0.84 C ATOM 0 H THR A 70 -4.048 6.566 -5.812 1.00 0.41 H new ATOM 0 HA THR A 70 -6.117 6.303 -3.724 1.00 0.44 H new ATOM 0 HB THR A 70 -6.866 7.442 -6.355 1.00 0.60 H new ATOM 0 HG1 THR A 70 -5.891 9.511 -5.822 1.00 0.94 H new ATOM 0 HG21 THR A 70 -8.064 9.048 -4.921 1.00 0.84 H new ATOM 0 HG22 THR A 70 -8.405 7.366 -4.453 1.00 0.84 H new ATOM 0 HG23 THR A 70 -7.278 8.347 -3.487 1.00 0.84 H new ATOM 1127 N ILE A 71 -7.118 4.309 -4.793 1.00 0.36 N ATOM 1128 CA ILE A 71 -7.744 3.138 -5.392 1.00 0.44 C ATOM 1129 C ILE A 71 -9.258 3.250 -5.302 1.00 0.34 C ATOM 1130 O ILE A 71 -9.795 3.558 -4.243 1.00 0.37 O ATOM 1131 CB ILE A 71 -7.297 1.821 -4.717 1.00 0.55 C ATOM 1132 CG1 ILE A 71 -6.973 2.044 -3.238 1.00 0.55 C ATOM 1133 CG2 ILE A 71 -6.094 1.238 -5.440 1.00 1.08 C ATOM 1134 CD1 ILE A 71 -7.261 0.841 -2.365 1.00 0.70 C ATOM 0 H ILE A 71 -7.263 4.398 -3.787 1.00 0.36 H new ATOM 0 HA ILE A 71 -7.426 3.109 -6.434 1.00 0.44 H new ATOM 0 HB ILE A 71 -8.122 1.112 -4.779 1.00 0.55 H new ATOM 0 HG12 ILE A 71 -5.920 2.308 -3.141 1.00 0.55 H new ATOM 0 HG13 ILE A 71 -7.550 2.894 -2.873 1.00 0.55 H new ATOM 0 HG21 ILE A 71 -5.791 0.311 -4.953 1.00 1.08 H new ATOM 0 HG22 ILE A 71 -6.357 1.034 -6.478 1.00 1.08 H new ATOM 0 HG23 ILE A 71 -5.270 1.951 -5.408 1.00 1.08 H new ATOM 0 HD11 ILE A 71 -7.007 1.073 -1.331 1.00 0.70 H new ATOM 0 HD12 ILE A 71 -8.319 0.589 -2.431 1.00 0.70 H new ATOM 0 HD13 ILE A 71 -6.664 -0.006 -2.704 1.00 0.70 H new ATOM 1146 N THR A 72 -9.941 2.989 -6.403 1.00 0.37 N ATOM 1147 CA THR A 72 -11.395 3.052 -6.438 1.00 0.33 C ATOM 1148 C THR A 72 -11.978 1.647 -6.599 1.00 0.31 C ATOM 1149 O THR A 72 -13.128 1.464 -7.002 1.00 0.33 O ATOM 1150 CB THR A 72 -11.884 3.981 -7.576 1.00 0.43 C ATOM 1151 OG1 THR A 72 -13.276 4.290 -7.413 1.00 1.33 O ATOM 1152 CG2 THR A 72 -11.650 3.354 -8.946 1.00 1.22 C ATOM 0 H THR A 72 -9.510 2.730 -7.291 1.00 0.37 H new ATOM 0 HA THR A 72 -11.744 3.470 -5.494 1.00 0.33 H new ATOM 0 HB THR A 72 -11.304 4.902 -7.518 1.00 0.43 H new ATOM 0 HG1 THR A 72 -13.397 4.842 -6.612 1.00 1.33 H new ATOM 0 HG21 THR A 72 -12.005 4.032 -9.722 1.00 1.22 H new ATOM 0 HG22 THR A 72 -10.585 3.169 -9.084 1.00 1.22 H new ATOM 0 HG23 THR A 72 -12.193 2.411 -9.012 1.00 1.22 H new ATOM 1160 N ASP A 73 -11.170 0.659 -6.254 1.00 0.34 N ATOM 1161 CA ASP A 73 -11.580 -0.738 -6.330 1.00 0.40 C ATOM 1162 C ASP A 73 -12.079 -1.234 -4.981 1.00 0.39 C ATOM 1163 O ASP A 73 -12.411 -2.409 -4.823 1.00 0.51 O ATOM 1164 CB ASP A 73 -10.419 -1.606 -6.814 1.00 0.52 C ATOM 1165 CG ASP A 73 -10.883 -2.824 -7.589 1.00 0.71 C ATOM 1166 OD1 ASP A 73 -11.906 -2.730 -8.301 1.00 1.21 O ATOM 1167 OD2 ASP A 73 -10.242 -3.889 -7.478 1.00 1.31 O ATOM 0 H ASP A 73 -10.218 0.798 -5.915 1.00 0.34 H new ATOM 0 HA ASP A 73 -12.399 -0.812 -7.045 1.00 0.40 H new ATOM 0 HB2 ASP A 73 -9.762 -1.008 -7.445 1.00 0.52 H new ATOM 0 HB3 ASP A 73 -9.830 -1.929 -5.956 1.00 0.52 H new ATOM 1172 N ALA A 74 -11.976 -0.374 -3.983 1.00 0.31 N ATOM 1173 CA ALA A 74 -12.255 -0.763 -2.611 1.00 0.33 C ATOM 1174 C ALA A 74 -13.748 -0.794 -2.324 1.00 0.35 C ATOM 1175 O ALA A 74 -14.513 0.013 -2.839 1.00 0.47 O ATOM 1176 CB ALA A 74 -11.540 0.168 -1.651 1.00 0.36 C ATOM 0 H ALA A 74 -11.700 0.601 -4.097 1.00 0.31 H new ATOM 0 HA ALA A 74 -11.880 -1.776 -2.467 1.00 0.33 H new ATOM 0 HB1 ALA A 74 -11.755 -0.132 -0.625 1.00 0.36 H new ATOM 0 HB2 ALA A 74 -10.465 0.116 -1.826 1.00 0.36 H new ATOM 0 HB3 ALA A 74 -11.885 1.190 -1.810 1.00 0.36 H new ATOM 1182 N TYR A 75 -14.144 -1.716 -1.468 1.00 0.48 N ATOM 1183 CA TYR A 75 -15.532 -1.858 -1.066 1.00 0.52 C ATOM 1184 C TYR A 75 -15.807 -1.017 0.168 1.00 0.46 C ATOM 1185 O TYR A 75 -15.053 -1.073 1.134 1.00 0.55 O ATOM 1186 CB TYR A 75 -15.838 -3.326 -0.772 1.00 0.71 C ATOM 1187 CG TYR A 75 -17.229 -3.768 -1.172 1.00 1.01 C ATOM 1188 CD1 TYR A 75 -17.725 -3.519 -2.445 1.00 1.38 C ATOM 1189 CD2 TYR A 75 -18.038 -4.455 -0.275 1.00 1.67 C ATOM 1190 CE1 TYR A 75 -18.991 -3.939 -2.811 1.00 1.85 C ATOM 1191 CE2 TYR A 75 -19.301 -4.879 -0.632 1.00 2.26 C ATOM 1192 CZ TYR A 75 -19.774 -4.620 -1.900 1.00 2.21 C ATOM 1193 OH TYR A 75 -21.034 -5.047 -2.258 1.00 2.86 O ATOM 0 H TYR A 75 -13.513 -2.388 -1.031 1.00 0.48 H new ATOM 0 HA TYR A 75 -16.173 -1.513 -1.878 1.00 0.52 H new ATOM 0 HB2 TYR A 75 -15.109 -3.947 -1.292 1.00 0.71 H new ATOM 0 HB3 TYR A 75 -15.706 -3.505 0.295 1.00 0.71 H new ATOM 0 HD1 TYR A 75 -17.113 -2.989 -3.160 1.00 1.38 H new ATOM 0 HD2 TYR A 75 -17.671 -4.661 0.720 1.00 1.67 H new ATOM 0 HE1 TYR A 75 -19.365 -3.736 -3.804 1.00 1.85 H new ATOM 0 HE2 TYR A 75 -19.916 -5.411 0.079 1.00 2.26 H new ATOM 0 HH TYR A 75 -21.450 -5.510 -1.501 1.00 2.86 H new ATOM 1203 N ALA A 76 -16.867 -0.231 0.131 1.00 0.49 N ATOM 1204 CA ALA A 76 -17.222 0.611 1.264 1.00 0.57 C ATOM 1205 C ALA A 76 -18.065 -0.167 2.266 1.00 0.50 C ATOM 1206 O ALA A 76 -18.110 0.165 3.451 1.00 0.63 O ATOM 1207 CB ALA A 76 -17.970 1.846 0.793 1.00 0.74 C ATOM 0 H ALA A 76 -17.497 -0.156 -0.668 1.00 0.49 H new ATOM 0 HA ALA A 76 -16.303 0.927 1.757 1.00 0.57 H new ATOM 0 HB1 ALA A 76 -18.228 2.465 1.652 1.00 0.74 H new ATOM 0 HB2 ALA A 76 -17.338 2.416 0.112 1.00 0.74 H new ATOM 0 HB3 ALA A 76 -18.881 1.545 0.276 1.00 0.74 H new ATOM 1213 N GLY A 77 -18.777 -1.169 1.767 1.00 0.48 N ATOM 1214 CA GLY A 77 -19.644 -1.962 2.618 1.00 0.55 C ATOM 1215 C GLY A 77 -18.871 -2.917 3.508 1.00 0.48 C ATOM 1216 O GLY A 77 -19.285 -3.203 4.631 1.00 0.58 O ATOM 0 H GLY A 77 -18.770 -1.448 0.786 1.00 0.48 H new ATOM 0 HA2 GLY A 77 -20.244 -1.297 3.239 1.00 0.55 H new ATOM 0 HA3 GLY A 77 -20.337 -2.530 1.997 1.00 0.55 H new ATOM 1220 N LYS A 78 -17.730 -3.387 3.017 1.00 0.44 N ATOM 1221 CA LYS A 78 -16.887 -4.301 3.778 1.00 0.49 C ATOM 1222 C LYS A 78 -15.447 -3.816 3.777 1.00 0.43 C ATOM 1223 O LYS A 78 -14.930 -3.403 2.740 1.00 0.61 O ATOM 1224 CB LYS A 78 -16.962 -5.715 3.197 1.00 0.70 C ATOM 1225 CG LYS A 78 -18.374 -6.265 3.100 1.00 0.98 C ATOM 1226 CD LYS A 78 -18.827 -6.867 4.419 1.00 1.62 C ATOM 1227 CE LYS A 78 -20.155 -6.283 4.869 1.00 1.93 C ATOM 1228 NZ LYS A 78 -21.239 -7.299 4.878 1.00 2.32 N ATOM 0 H LYS A 78 -17.367 -3.150 2.094 1.00 0.44 H new ATOM 0 HA LYS A 78 -17.252 -4.326 4.805 1.00 0.49 H new ATOM 0 HB2 LYS A 78 -16.514 -5.713 2.203 1.00 0.70 H new ATOM 0 HB3 LYS A 78 -16.363 -6.384 3.816 1.00 0.70 H new ATOM 0 HG2 LYS A 78 -19.057 -5.467 2.809 1.00 0.98 H new ATOM 0 HG3 LYS A 78 -18.418 -7.023 2.318 1.00 0.98 H new ATOM 0 HD2 LYS A 78 -18.920 -7.948 4.314 1.00 1.62 H new ATOM 0 HD3 LYS A 78 -18.071 -6.685 5.182 1.00 1.62 H new ATOM 0 HE2 LYS A 78 -20.045 -5.862 5.868 1.00 1.93 H new ATOM 0 HE3 LYS A 78 -20.433 -5.463 4.207 1.00 1.93 H new ATOM 0 HZ1 LYS A 78 -22.127 -6.857 5.191 1.00 2.32 H new ATOM 0 HZ2 LYS A 78 -21.363 -7.683 3.919 1.00 2.32 H new ATOM 0 HZ3 LYS A 78 -20.987 -8.069 5.530 1.00 2.32 H new ATOM 1242 N GLU A 79 -14.839 -3.807 4.958 1.00 0.40 N ATOM 1243 CA GLU A 79 -13.483 -3.299 5.138 1.00 0.43 C ATOM 1244 C GLU A 79 -12.494 -3.941 4.169 1.00 0.37 C ATOM 1245 O GLU A 79 -12.658 -5.091 3.751 1.00 0.39 O ATOM 1246 CB GLU A 79 -13.016 -3.539 6.573 1.00 0.59 C ATOM 1247 CG GLU A 79 -12.432 -2.302 7.235 1.00 1.13 C ATOM 1248 CD GLU A 79 -13.174 -1.916 8.496 1.00 1.55 C ATOM 1249 OE1 GLU A 79 -14.064 -2.679 8.927 1.00 2.20 O ATOM 1250 OE2 GLU A 79 -12.869 -0.848 9.068 1.00 2.05 O ATOM 0 H GLU A 79 -15.271 -4.151 5.816 1.00 0.40 H new ATOM 0 HA GLU A 79 -13.511 -2.230 4.929 1.00 0.43 H new ATOM 0 HB2 GLU A 79 -13.858 -3.895 7.166 1.00 0.59 H new ATOM 0 HB3 GLU A 79 -12.267 -4.331 6.575 1.00 0.59 H new ATOM 0 HG2 GLU A 79 -11.384 -2.482 7.474 1.00 1.13 H new ATOM 0 HG3 GLU A 79 -12.460 -1.470 6.532 1.00 1.13 H new ATOM 1257 N TYR A 80 -11.463 -3.187 3.829 1.00 0.39 N ATOM 1258 CA TYR A 80 -10.427 -3.662 2.934 1.00 0.38 C ATOM 1259 C TYR A 80 -9.091 -3.719 3.659 1.00 0.41 C ATOM 1260 O TYR A 80 -8.660 -2.732 4.260 1.00 0.55 O ATOM 1261 CB TYR A 80 -10.317 -2.737 1.721 1.00 0.43 C ATOM 1262 CG TYR A 80 -10.801 -3.362 0.437 1.00 0.40 C ATOM 1263 CD1 TYR A 80 -12.116 -3.778 0.299 1.00 0.50 C ATOM 1264 CD2 TYR A 80 -9.940 -3.535 -0.635 1.00 0.53 C ATOM 1265 CE1 TYR A 80 -12.560 -4.350 -0.876 1.00 0.63 C ATOM 1266 CE2 TYR A 80 -10.377 -4.106 -1.814 1.00 0.64 C ATOM 1267 CZ TYR A 80 -11.687 -4.513 -1.929 1.00 0.66 C ATOM 1268 OH TYR A 80 -12.125 -5.088 -3.098 1.00 0.85 O ATOM 0 H TYR A 80 -11.322 -2.234 4.164 1.00 0.39 H new ATOM 0 HA TYR A 80 -10.691 -4.664 2.597 1.00 0.38 H new ATOM 0 HB2 TYR A 80 -10.891 -1.831 1.913 1.00 0.43 H new ATOM 0 HB3 TYR A 80 -9.277 -2.435 1.598 1.00 0.43 H new ATOM 0 HD1 TYR A 80 -12.803 -3.653 1.123 1.00 0.50 H new ATOM 0 HD2 TYR A 80 -8.911 -3.218 -0.547 1.00 0.53 H new ATOM 0 HE1 TYR A 80 -13.588 -4.669 -0.969 1.00 0.63 H new ATOM 0 HE2 TYR A 80 -9.695 -4.233 -2.641 1.00 0.64 H new ATOM 0 HH TYR A 80 -12.273 -4.390 -3.770 1.00 0.85 H new ATOM 1278 N ILE A 81 -8.411 -4.850 3.549 1.00 0.31 N ATOM 1279 CA ILE A 81 -7.079 -4.981 4.112 1.00 0.33 C ATOM 1280 C ILE A 81 -6.042 -4.771 3.014 1.00 0.29 C ATOM 1281 O ILE A 81 -6.022 -5.485 2.010 1.00 0.29 O ATOM 1282 CB ILE A 81 -6.860 -6.342 4.824 1.00 0.40 C ATOM 1283 CG1 ILE A 81 -5.365 -6.647 4.964 1.00 0.48 C ATOM 1284 CG2 ILE A 81 -7.569 -7.468 4.088 1.00 0.39 C ATOM 1285 CD1 ILE A 81 -5.048 -7.622 6.074 1.00 1.11 C ATOM 0 H ILE A 81 -8.758 -5.685 3.078 1.00 0.31 H new ATOM 0 HA ILE A 81 -6.965 -4.214 4.878 1.00 0.33 H new ATOM 0 HB ILE A 81 -7.292 -6.269 5.822 1.00 0.40 H new ATOM 0 HG12 ILE A 81 -4.995 -7.050 4.021 1.00 0.48 H new ATOM 0 HG13 ILE A 81 -4.828 -5.716 5.145 1.00 0.48 H new ATOM 0 HG21 ILE A 81 -7.397 -8.409 4.611 1.00 0.39 H new ATOM 0 HG22 ILE A 81 -8.639 -7.263 4.053 1.00 0.39 H new ATOM 0 HG23 ILE A 81 -7.180 -7.541 3.072 1.00 0.39 H new ATOM 0 HD11 ILE A 81 -3.972 -7.790 6.114 1.00 1.11 H new ATOM 0 HD12 ILE A 81 -5.387 -7.213 7.026 1.00 1.11 H new ATOM 0 HD13 ILE A 81 -5.556 -8.567 5.884 1.00 1.11 H new ATOM 1297 N ILE A 82 -5.284 -3.698 3.149 1.00 0.31 N ATOM 1298 CA ILE A 82 -4.327 -3.289 2.137 1.00 0.30 C ATOM 1299 C ILE A 82 -2.905 -3.541 2.622 1.00 0.32 C ATOM 1300 O ILE A 82 -2.399 -2.823 3.480 1.00 0.45 O ATOM 1301 CB ILE A 82 -4.496 -1.795 1.779 1.00 0.37 C ATOM 1302 CG1 ILE A 82 -5.900 -1.305 2.148 1.00 0.57 C ATOM 1303 CG2 ILE A 82 -4.240 -1.572 0.300 1.00 0.58 C ATOM 1304 CD1 ILE A 82 -5.971 0.178 2.429 1.00 0.64 C ATOM 0 H ILE A 82 -5.315 -3.085 3.964 1.00 0.31 H new ATOM 0 HA ILE A 82 -4.515 -3.882 1.242 1.00 0.30 H new ATOM 0 HB ILE A 82 -3.766 -1.224 2.353 1.00 0.37 H new ATOM 0 HG12 ILE A 82 -6.585 -1.545 1.334 1.00 0.57 H new ATOM 0 HG13 ILE A 82 -6.246 -1.849 3.027 1.00 0.57 H new ATOM 0 HG21 ILE A 82 -4.363 -0.515 0.065 1.00 0.58 H new ATOM 0 HG22 ILE A 82 -3.224 -1.882 0.056 1.00 0.58 H new ATOM 0 HG23 ILE A 82 -4.949 -2.159 -0.284 1.00 0.58 H new ATOM 0 HD11 ILE A 82 -6.995 0.452 2.683 1.00 0.64 H new ATOM 0 HD12 ILE A 82 -5.313 0.422 3.263 1.00 0.64 H new ATOM 0 HD13 ILE A 82 -5.657 0.731 1.544 1.00 0.64 H new ATOM 1316 N GLN A 83 -2.282 -4.590 2.105 1.00 0.31 N ATOM 1317 CA GLN A 83 -0.944 -4.969 2.530 1.00 0.34 C ATOM 1318 C GLN A 83 0.106 -4.326 1.632 1.00 0.29 C ATOM 1319 O GLN A 83 -0.045 -4.298 0.409 1.00 0.31 O ATOM 1320 CB GLN A 83 -0.805 -6.492 2.511 1.00 0.44 C ATOM 1321 CG GLN A 83 0.201 -7.027 3.516 1.00 0.60 C ATOM 1322 CD GLN A 83 -0.447 -7.751 4.676 1.00 0.71 C ATOM 1323 OE1 GLN A 83 -1.652 -8.010 4.674 1.00 1.59 O ATOM 1324 NE2 GLN A 83 0.351 -8.086 5.678 1.00 0.64 N ATOM 0 H GLN A 83 -2.684 -5.195 1.389 1.00 0.31 H new ATOM 0 HA GLN A 83 -0.784 -4.612 3.548 1.00 0.34 H new ATOM 0 HB2 GLN A 83 -1.779 -6.939 2.712 1.00 0.44 H new ATOM 0 HB3 GLN A 83 -0.509 -6.808 1.511 1.00 0.44 H new ATOM 0 HG2 GLN A 83 0.886 -7.706 3.009 1.00 0.60 H new ATOM 0 HG3 GLN A 83 0.798 -6.199 3.900 1.00 0.60 H new ATOM 0 HE21 GLN A 83 1.343 -7.853 5.640 1.00 0.64 H new ATOM 0 HE22 GLN A 83 -0.026 -8.578 6.488 1.00 0.64 H new ATOM 1333 N VAL A 84 1.115 -3.723 2.253 1.00 0.28 N ATOM 1334 CA VAL A 84 2.139 -2.981 1.525 1.00 0.28 C ATOM 1335 C VAL A 84 3.530 -3.586 1.741 1.00 0.28 C ATOM 1336 O VAL A 84 3.932 -3.857 2.879 1.00 0.32 O ATOM 1337 CB VAL A 84 2.170 -1.502 1.966 1.00 0.35 C ATOM 1338 CG1 VAL A 84 2.917 -0.654 0.947 1.00 0.36 C ATOM 1339 CG2 VAL A 84 0.765 -0.959 2.183 1.00 0.51 C ATOM 0 H VAL A 84 1.246 -3.734 3.265 1.00 0.28 H new ATOM 0 HA VAL A 84 1.881 -3.044 0.468 1.00 0.28 H new ATOM 0 HB VAL A 84 2.700 -1.450 2.917 1.00 0.35 H new ATOM 0 HG11 VAL A 84 2.928 0.385 1.276 1.00 0.36 H new ATOM 0 HG12 VAL A 84 3.941 -1.016 0.853 1.00 0.36 H new ATOM 0 HG13 VAL A 84 2.418 -0.723 -0.020 1.00 0.36 H new ATOM 0 HG21 VAL A 84 0.822 0.084 2.493 1.00 0.51 H new ATOM 0 HG22 VAL A 84 0.199 -1.031 1.254 1.00 0.51 H new ATOM 0 HG23 VAL A 84 0.266 -1.541 2.958 1.00 0.51 H new ATOM 1349 N ALA A 85 4.281 -3.732 0.650 1.00 0.31 N ATOM 1350 CA ALA A 85 5.658 -4.224 0.706 1.00 0.36 C ATOM 1351 C ALA A 85 6.636 -3.099 0.394 1.00 0.30 C ATOM 1352 O ALA A 85 6.243 -2.055 -0.139 1.00 0.37 O ATOM 1353 CB ALA A 85 5.864 -5.373 -0.270 1.00 0.49 C ATOM 0 H ALA A 85 3.955 -3.514 -0.292 1.00 0.31 H new ATOM 0 HA ALA A 85 5.845 -4.589 1.716 1.00 0.36 H new ATOM 0 HB1 ALA A 85 6.895 -5.721 -0.210 1.00 0.49 H new ATOM 0 HB2 ALA A 85 5.189 -6.191 -0.017 1.00 0.49 H new ATOM 0 HB3 ALA A 85 5.655 -5.031 -1.284 1.00 0.49 H new ATOM 1359 N ALA A 86 7.906 -3.314 0.716 1.00 0.35 N ATOM 1360 CA ALA A 86 8.930 -2.305 0.487 1.00 0.45 C ATOM 1361 C ALA A 86 10.179 -2.893 -0.165 1.00 0.40 C ATOM 1362 O ALA A 86 10.858 -3.737 0.415 1.00 0.55 O ATOM 1363 CB ALA A 86 9.299 -1.627 1.797 1.00 0.70 C ATOM 0 H ALA A 86 8.250 -4.178 1.136 1.00 0.35 H new ATOM 0 HA ALA A 86 8.514 -1.569 -0.201 1.00 0.45 H new ATOM 0 HB1 ALA A 86 10.066 -0.874 1.614 1.00 0.70 H new ATOM 0 HB2 ALA A 86 8.416 -1.150 2.221 1.00 0.70 H new ATOM 0 HB3 ALA A 86 9.681 -2.371 2.497 1.00 0.70 H new ATOM 1369 N LYS A 87 10.538 -2.345 -1.316 1.00 0.46 N ATOM 1370 CA LYS A 87 11.783 -2.690 -1.991 1.00 0.49 C ATOM 1371 C LYS A 87 12.295 -1.453 -2.714 1.00 0.61 C ATOM 1372 O LYS A 87 11.506 -0.712 -3.288 1.00 0.80 O ATOM 1373 CB LYS A 87 11.567 -3.847 -2.979 1.00 0.62 C ATOM 1374 CG LYS A 87 12.663 -3.992 -4.025 1.00 0.69 C ATOM 1375 CD LYS A 87 12.128 -3.745 -5.427 1.00 0.91 C ATOM 1376 CE LYS A 87 13.126 -4.175 -6.491 1.00 1.08 C ATOM 1377 NZ LYS A 87 13.726 -3.010 -7.192 1.00 1.33 N ATOM 0 H LYS A 87 9.977 -1.650 -1.809 1.00 0.46 H new ATOM 0 HA LYS A 87 12.519 -3.022 -1.259 1.00 0.49 H new ATOM 0 HB2 LYS A 87 11.491 -4.779 -2.418 1.00 0.62 H new ATOM 0 HB3 LYS A 87 10.613 -3.702 -3.487 1.00 0.62 H new ATOM 0 HG2 LYS A 87 13.467 -3.288 -3.812 1.00 0.69 H new ATOM 0 HG3 LYS A 87 13.092 -4.992 -3.969 1.00 0.69 H new ATOM 0 HD2 LYS A 87 11.194 -4.290 -5.562 1.00 0.91 H new ATOM 0 HD3 LYS A 87 11.899 -2.686 -5.548 1.00 0.91 H new ATOM 0 HE2 LYS A 87 13.916 -4.767 -6.029 1.00 1.08 H new ATOM 0 HE3 LYS A 87 12.628 -4.818 -7.217 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 14.676 -3.261 -7.532 1.00 1.33 H new ATOM 0 HZ2 LYS A 87 13.127 -2.745 -8.000 1.00 1.33 H new ATOM 0 HZ3 LYS A 87 13.795 -2.207 -6.535 1.00 1.33 H new ATOM 1391 N ASP A 88 13.581 -1.164 -2.595 1.00 0.67 N ATOM 1392 CA ASP A 88 14.131 0.055 -3.178 1.00 0.81 C ATOM 1393 C ASP A 88 14.124 -0.011 -4.707 1.00 0.90 C ATOM 1394 O ASP A 88 14.139 -1.092 -5.300 1.00 1.00 O ATOM 1395 CB ASP A 88 15.548 0.316 -2.658 1.00 0.96 C ATOM 1396 CG ASP A 88 16.192 1.517 -3.322 1.00 1.22 C ATOM 1397 OD1 ASP A 88 15.516 2.562 -3.459 1.00 1.53 O ATOM 1398 OD2 ASP A 88 17.355 1.401 -3.756 1.00 1.42 O ATOM 0 H ASP A 88 14.259 -1.748 -2.106 1.00 0.67 H new ATOM 0 HA ASP A 88 13.494 0.885 -2.873 1.00 0.81 H new ATOM 0 HB2 ASP A 88 15.514 0.474 -1.580 1.00 0.96 H new ATOM 0 HB3 ASP A 88 16.164 -0.566 -2.831 1.00 0.96 H new ATOM 1403 N ASN A 89 14.101 1.159 -5.331 1.00 1.00 N ATOM 1404 CA ASN A 89 14.101 1.271 -6.782 1.00 1.17 C ATOM 1405 C ASN A 89 15.458 0.865 -7.350 1.00 1.27 C ATOM 1406 O ASN A 89 15.552 0.330 -8.457 1.00 1.46 O ATOM 1407 CB ASN A 89 13.765 2.710 -7.195 1.00 1.30 C ATOM 1408 CG ASN A 89 13.096 2.797 -8.556 1.00 1.53 C ATOM 1409 OD1 ASN A 89 13.412 2.040 -9.468 1.00 1.91 O ATOM 1410 ND2 ASN A 89 12.166 3.725 -8.702 1.00 1.75 N ATOM 0 H ASN A 89 14.082 2.056 -4.846 1.00 1.00 H new ATOM 0 HA ASN A 89 13.343 0.598 -7.184 1.00 1.17 H new ATOM 0 HB2 ASN A 89 13.110 3.153 -6.445 1.00 1.30 H new ATOM 0 HB3 ASN A 89 14.681 3.301 -7.208 1.00 1.30 H new ATOM 0 HD21 ASN A 89 11.685 3.829 -9.596 1.00 1.75 H new ATOM 0 HD22 ASN A 89 11.929 4.337 -7.921 1.00 1.75 H new ATOM 1417 N GLU A 90 16.508 1.087 -6.569 1.00 1.29 N ATOM 1418 CA GLU A 90 17.857 0.736 -6.985 1.00 1.46 C ATOM 1419 C GLU A 90 18.263 -0.621 -6.421 1.00 1.44 C ATOM 1420 O GLU A 90 18.513 -1.567 -7.171 1.00 1.57 O ATOM 1421 CB GLU A 90 18.843 1.811 -6.528 1.00 1.60 C ATOM 1422 CG GLU A 90 18.467 3.211 -6.982 1.00 1.82 C ATOM 1423 CD GLU A 90 18.966 3.515 -8.374 1.00 1.96 C ATOM 1424 OE1 GLU A 90 20.137 3.927 -8.509 1.00 2.17 O ATOM 1425 OE2 GLU A 90 18.201 3.329 -9.342 1.00 2.26 O ATOM 0 H GLU A 90 16.449 1.509 -5.642 1.00 1.29 H new ATOM 0 HA GLU A 90 17.875 0.674 -8.073 1.00 1.46 H new ATOM 0 HB2 GLU A 90 18.907 1.795 -5.440 1.00 1.60 H new ATOM 0 HB3 GLU A 90 19.835 1.568 -6.909 1.00 1.60 H new ATOM 0 HG2 GLU A 90 17.383 3.320 -6.955 1.00 1.82 H new ATOM 0 HG3 GLU A 90 18.878 3.940 -6.284 1.00 1.82 H new ATOM 1432 N ILE A 91 18.296 -0.725 -5.100 1.00 1.38 N ATOM 1433 CA ILE A 91 18.640 -1.978 -4.447 1.00 1.45 C ATOM 1434 C ILE A 91 17.417 -2.886 -4.371 1.00 1.48 C ATOM 1435 O ILE A 91 16.459 -2.601 -3.653 1.00 1.79 O ATOM 1436 CB ILE A 91 19.208 -1.749 -3.029 1.00 1.63 C ATOM 1437 CG1 ILE A 91 20.419 -0.809 -3.094 1.00 2.02 C ATOM 1438 CG2 ILE A 91 19.585 -3.081 -2.386 1.00 1.69 C ATOM 1439 CD1 ILE A 91 21.336 -0.888 -1.889 1.00 2.51 C ATOM 0 H ILE A 91 18.089 0.043 -4.461 1.00 1.38 H new ATOM 0 HA ILE A 91 19.415 -2.457 -5.046 1.00 1.45 H new ATOM 0 HB ILE A 91 18.442 -1.281 -2.411 1.00 1.63 H new ATOM 0 HG12 ILE A 91 20.995 -1.039 -3.990 1.00 2.02 H new ATOM 0 HG13 ILE A 91 20.063 0.216 -3.199 1.00 2.02 H new ATOM 0 HG21 ILE A 91 19.984 -2.903 -1.387 1.00 1.69 H new ATOM 0 HG22 ILE A 91 18.701 -3.714 -2.316 1.00 1.69 H new ATOM 0 HG23 ILE A 91 20.340 -3.578 -2.995 1.00 1.69 H new ATOM 0 HD11 ILE A 91 22.165 -0.192 -2.017 1.00 2.51 H new ATOM 0 HD12 ILE A 91 20.778 -0.627 -0.990 1.00 2.51 H new ATOM 0 HD13 ILE A 91 21.725 -1.902 -1.793 1.00 2.51 H new ATOM 1451 N GLY A 92 17.429 -3.943 -5.170 1.00 1.53 N ATOM 1452 CA GLY A 92 16.292 -4.838 -5.253 1.00 1.75 C ATOM 1453 C GLY A 92 16.201 -5.801 -4.089 1.00 1.30 C ATOM 1454 O GLY A 92 16.073 -7.008 -4.289 1.00 1.27 O ATOM 0 H GLY A 92 18.214 -4.199 -5.768 1.00 1.53 H new ATOM 0 HA2 GLY A 92 15.377 -4.248 -5.300 1.00 1.75 H new ATOM 0 HA3 GLY A 92 16.353 -5.406 -6.181 1.00 1.75 H new ATOM 1458 N THR A 93 16.163 -5.265 -2.879 1.00 1.16 N ATOM 1459 CA THR A 93 15.978 -6.079 -1.694 1.00 0.92 C ATOM 1460 C THR A 93 14.490 -6.261 -1.423 1.00 0.81 C ATOM 1461 O THR A 93 13.808 -5.327 -0.997 1.00 0.82 O ATOM 1462 CB THR A 93 16.658 -5.444 -0.471 1.00 1.19 C ATOM 1463 OG1 THR A 93 16.865 -4.041 -0.699 1.00 1.75 O ATOM 1464 CG2 THR A 93 17.993 -6.111 -0.184 1.00 1.62 C ATOM 0 H THR A 93 16.258 -4.266 -2.694 1.00 1.16 H new ATOM 0 HA THR A 93 16.440 -7.050 -1.871 1.00 0.92 H new ATOM 0 HB THR A 93 16.005 -5.584 0.391 1.00 1.19 H new ATOM 0 HG1 THR A 93 16.005 -3.609 -0.884 1.00 1.75 H new ATOM 0 HG21 THR A 93 18.454 -5.643 0.686 1.00 1.62 H new ATOM 0 HG22 THR A 93 17.835 -7.171 0.015 1.00 1.62 H new ATOM 0 HG23 THR A 93 18.649 -5.998 -1.047 1.00 1.62 H new ATOM 1472 N TRP A 94 13.968 -7.398 -1.848 1.00 0.78 N ATOM 1473 CA TRP A 94 12.536 -7.638 -1.817 1.00 0.75 C ATOM 1474 C TRP A 94 12.055 -8.030 -0.425 1.00 0.74 C ATOM 1475 O TRP A 94 12.131 -9.197 -0.031 1.00 0.89 O ATOM 1476 CB TRP A 94 12.166 -8.728 -2.820 1.00 0.82 C ATOM 1477 CG TRP A 94 11.643 -8.186 -4.114 1.00 0.84 C ATOM 1478 CD1 TRP A 94 12.373 -7.807 -5.204 1.00 0.93 C ATOM 1479 CD2 TRP A 94 10.270 -7.960 -4.452 1.00 1.04 C ATOM 1480 NE1 TRP A 94 11.537 -7.363 -6.199 1.00 1.13 N ATOM 1481 CE2 TRP A 94 10.241 -7.448 -5.763 1.00 1.19 C ATOM 1482 CE3 TRP A 94 9.060 -8.144 -3.774 1.00 1.27 C ATOM 1483 CZ2 TRP A 94 9.052 -7.122 -6.408 1.00 1.48 C ATOM 1484 CZ3 TRP A 94 7.882 -7.819 -4.415 1.00 1.55 C ATOM 1485 CH2 TRP A 94 7.884 -7.313 -5.720 1.00 1.63 C ATOM 0 H TRP A 94 14.517 -8.173 -2.220 1.00 0.78 H new ATOM 0 HA TRP A 94 12.041 -6.706 -2.089 1.00 0.75 H new ATOM 0 HB2 TRP A 94 13.044 -9.342 -3.019 1.00 0.82 H new ATOM 0 HB3 TRP A 94 11.414 -9.381 -2.377 1.00 0.82 H new ATOM 0 HD1 TRP A 94 13.450 -7.850 -5.273 1.00 0.93 H new ATOM 0 HE1 TRP A 94 11.833 -7.025 -7.115 1.00 1.13 H new ATOM 0 HE3 TRP A 94 9.048 -8.534 -2.767 1.00 1.27 H new ATOM 0 HZ2 TRP A 94 9.051 -6.732 -7.415 1.00 1.48 H new ATOM 0 HZ3 TRP A 94 6.942 -7.957 -3.901 1.00 1.55 H new ATOM 0 HH2 TRP A 94 6.945 -7.068 -6.194 1.00 1.63 H new ATOM 1496 N SER A 95 11.466 -7.073 0.273 1.00 0.65 N ATOM 1497 CA SER A 95 10.834 -7.342 1.551 1.00 0.65 C ATOM 1498 C SER A 95 9.367 -7.692 1.328 1.00 0.63 C ATOM 1499 O SER A 95 8.744 -7.199 0.386 1.00 0.72 O ATOM 1500 CB SER A 95 10.963 -6.128 2.471 1.00 0.68 C ATOM 1501 OG SER A 95 12.108 -5.363 2.133 1.00 0.94 O ATOM 0 H SER A 95 11.413 -6.099 -0.027 1.00 0.65 H new ATOM 0 HA SER A 95 11.331 -8.186 2.029 1.00 0.65 H new ATOM 0 HB2 SER A 95 10.069 -5.509 2.392 1.00 0.68 H new ATOM 0 HB3 SER A 95 11.032 -6.457 3.508 1.00 0.68 H new ATOM 0 HG SER A 95 11.892 -4.762 1.390 1.00 0.94 H new ATOM 1507 N ASP A 96 8.845 -8.592 2.146 1.00 0.69 N ATOM 1508 CA ASP A 96 7.470 -9.054 1.994 1.00 0.74 C ATOM 1509 C ASP A 96 6.479 -7.955 2.364 1.00 0.63 C ATOM 1510 O ASP A 96 6.819 -7.015 3.086 1.00 0.53 O ATOM 1511 CB ASP A 96 7.224 -10.290 2.862 1.00 0.94 C ATOM 1512 CG ASP A 96 5.936 -11.004 2.506 1.00 1.28 C ATOM 1513 OD1 ASP A 96 5.461 -10.846 1.363 1.00 1.57 O ATOM 1514 OD2 ASP A 96 5.390 -11.723 3.367 1.00 1.94 O ATOM 0 H ASP A 96 9.351 -9.018 2.923 1.00 0.69 H new ATOM 0 HA ASP A 96 7.318 -9.317 0.947 1.00 0.74 H new ATOM 0 HB2 ASP A 96 8.060 -10.980 2.751 1.00 0.94 H new ATOM 0 HB3 ASP A 96 7.193 -9.993 3.910 1.00 0.94 H new ATOM 1519 N TRP A 97 5.244 -8.109 1.895 1.00 0.76 N ATOM 1520 CA TRP A 97 4.166 -7.180 2.202 1.00 0.73 C ATOM 1521 C TRP A 97 3.888 -7.188 3.702 1.00 0.60 C ATOM 1522 O TRP A 97 3.337 -8.149 4.238 1.00 0.76 O ATOM 1523 CB TRP A 97 2.902 -7.560 1.428 1.00 0.99 C ATOM 1524 CG TRP A 97 2.914 -7.144 -0.014 1.00 1.31 C ATOM 1525 CD1 TRP A 97 2.229 -6.103 -0.564 1.00 2.12 C ATOM 1526 CD2 TRP A 97 3.631 -7.761 -1.090 1.00 1.05 C ATOM 1527 NE1 TRP A 97 2.466 -6.042 -1.913 1.00 2.24 N ATOM 1528 CE2 TRP A 97 3.325 -7.046 -2.260 1.00 1.53 C ATOM 1529 CE3 TRP A 97 4.501 -8.850 -1.177 1.00 1.10 C ATOM 1530 CZ2 TRP A 97 3.855 -7.387 -3.501 1.00 1.47 C ATOM 1531 CZ3 TRP A 97 5.030 -9.186 -2.408 1.00 1.38 C ATOM 1532 CH2 TRP A 97 4.702 -8.457 -3.555 1.00 1.26 C ATOM 0 H TRP A 97 4.964 -8.882 1.291 1.00 0.76 H new ATOM 0 HA TRP A 97 4.467 -6.176 1.902 1.00 0.73 H new ATOM 0 HB2 TRP A 97 2.768 -8.640 1.482 1.00 0.99 H new ATOM 0 HB3 TRP A 97 2.040 -7.107 1.918 1.00 0.99 H new ATOM 0 HD1 TRP A 97 1.592 -5.424 -0.017 1.00 2.12 H new ATOM 0 HE1 TRP A 97 2.065 -5.357 -2.554 1.00 2.24 H new ATOM 0 HE3 TRP A 97 4.756 -9.420 -0.296 1.00 1.10 H new ATOM 0 HZ2 TRP A 97 3.605 -6.826 -4.389 1.00 1.47 H new ATOM 0 HZ3 TRP A 97 5.707 -10.024 -2.486 1.00 1.38 H new ATOM 0 HH2 TRP A 97 5.128 -8.746 -4.504 1.00 1.26 H new ATOM 1543 N SER A 98 4.443 -6.209 4.388 1.00 0.41 N ATOM 1544 CA SER A 98 4.444 -6.196 5.839 1.00 0.42 C ATOM 1545 C SER A 98 3.242 -5.462 6.421 1.00 0.38 C ATOM 1546 O SER A 98 2.559 -5.982 7.301 1.00 0.46 O ATOM 1547 CB SER A 98 5.737 -5.555 6.339 1.00 0.51 C ATOM 1548 OG SER A 98 6.630 -5.309 5.262 1.00 0.50 O ATOM 0 H SER A 98 4.903 -5.405 3.960 1.00 0.41 H new ATOM 0 HA SER A 98 4.378 -7.230 6.176 1.00 0.42 H new ATOM 0 HB2 SER A 98 5.510 -4.619 6.849 1.00 0.51 H new ATOM 0 HB3 SER A 98 6.213 -6.209 7.069 1.00 0.51 H new ATOM 0 HG SER A 98 6.653 -6.091 4.671 1.00 0.50 H new ATOM 1554 N VAL A 99 3.062 -4.211 6.016 1.00 0.33 N ATOM 1555 CA VAL A 99 2.056 -3.360 6.637 1.00 0.34 C ATOM 1556 C VAL A 99 0.673 -3.584 6.046 1.00 0.32 C ATOM 1557 O VAL A 99 0.388 -3.190 4.915 1.00 0.34 O ATOM 1558 CB VAL A 99 2.422 -1.865 6.543 1.00 0.42 C ATOM 1559 CG1 VAL A 99 3.256 -1.447 7.747 1.00 1.21 C ATOM 1560 CG2 VAL A 99 3.160 -1.564 5.251 1.00 1.32 C ATOM 0 H VAL A 99 3.594 -3.767 5.268 1.00 0.33 H new ATOM 0 HA VAL A 99 2.034 -3.646 7.689 1.00 0.34 H new ATOM 0 HB VAL A 99 1.497 -1.288 6.543 1.00 0.42 H new ATOM 0 HG11 VAL A 99 3.507 -0.389 7.666 1.00 1.21 H new ATOM 0 HG12 VAL A 99 2.686 -1.616 8.661 1.00 1.21 H new ATOM 0 HG13 VAL A 99 4.173 -2.036 7.777 1.00 1.21 H new ATOM 0 HG21 VAL A 99 3.406 -0.503 5.211 1.00 1.32 H new ATOM 0 HG22 VAL A 99 4.078 -2.151 5.211 1.00 1.32 H new ATOM 0 HG23 VAL A 99 2.527 -1.822 4.402 1.00 1.32 H new ATOM 1570 N ALA A 100 -0.179 -4.199 6.842 1.00 0.36 N ATOM 1571 CA ALA A 100 -1.563 -4.438 6.477 1.00 0.41 C ATOM 1572 C ALA A 100 -2.454 -3.303 6.968 1.00 0.43 C ATOM 1573 O ALA A 100 -2.858 -3.283 8.132 1.00 0.61 O ATOM 1574 CB ALA A 100 -2.034 -5.766 7.051 1.00 0.50 C ATOM 0 H ALA A 100 0.070 -4.550 7.767 1.00 0.36 H new ATOM 0 HA ALA A 100 -1.631 -4.480 5.390 1.00 0.41 H new ATOM 0 HB1 ALA A 100 -3.074 -5.935 6.771 1.00 0.50 H new ATOM 0 HB2 ALA A 100 -1.416 -6.573 6.656 1.00 0.50 H new ATOM 0 HB3 ALA A 100 -1.950 -5.743 8.138 1.00 0.50 H new ATOM 1580 N ALA A 101 -2.787 -2.383 6.080 1.00 0.36 N ATOM 1581 CA ALA A 101 -3.676 -1.285 6.422 1.00 0.36 C ATOM 1582 C ALA A 101 -5.130 -1.742 6.363 1.00 0.41 C ATOM 1583 O ALA A 101 -5.471 -2.653 5.610 1.00 0.73 O ATOM 1584 CB ALA A 101 -3.448 -0.102 5.493 1.00 0.42 C ATOM 0 H ALA A 101 -2.455 -2.374 5.116 1.00 0.36 H new ATOM 0 HA ALA A 101 -3.455 -0.966 7.440 1.00 0.36 H new ATOM 0 HB1 ALA A 101 -4.123 0.710 5.765 1.00 0.42 H new ATOM 0 HB2 ALA A 101 -2.416 0.238 5.583 1.00 0.42 H new ATOM 0 HB3 ALA A 101 -3.641 -0.405 4.464 1.00 0.42 H new ATOM 1590 N HIS A 102 -5.975 -1.139 7.179 1.00 0.49 N ATOM 1591 CA HIS A 102 -7.390 -1.491 7.218 1.00 0.57 C ATOM 1592 C HIS A 102 -8.229 -0.240 7.018 1.00 0.50 C ATOM 1593 O HIS A 102 -8.179 0.681 7.833 1.00 0.76 O ATOM 1594 CB HIS A 102 -7.760 -2.155 8.552 1.00 0.95 C ATOM 1595 CG HIS A 102 -6.829 -3.251 8.978 1.00 0.79 C ATOM 1596 ND1 HIS A 102 -6.020 -3.160 10.089 1.00 1.60 N ATOM 1597 CD2 HIS A 102 -6.575 -4.465 8.430 1.00 1.24 C ATOM 1598 CE1 HIS A 102 -5.310 -4.265 10.206 1.00 2.18 C ATOM 1599 NE2 HIS A 102 -5.627 -5.074 9.215 1.00 2.00 N ATOM 0 H HIS A 102 -5.708 -0.399 7.828 1.00 0.49 H new ATOM 0 HA HIS A 102 -7.589 -2.203 6.417 1.00 0.57 H new ATOM 0 HB2 HIS A 102 -7.783 -1.392 9.330 1.00 0.95 H new ATOM 0 HB3 HIS A 102 -8.768 -2.561 8.474 1.00 0.95 H new ATOM 0 HD2 HIS A 102 -7.033 -4.876 7.542 1.00 1.24 H new ATOM 0 HE1 HIS A 102 -4.590 -4.472 10.983 1.00 2.18 H new ATOM 0 HE2 HIS A 102 -5.233 -6.001 9.057 1.00 2.00 H new ATOM 1608 N ALA A 103 -8.939 -0.173 5.902 1.00 0.38 N ATOM 1609 CA ALA A 103 -9.722 1.010 5.584 1.00 0.54 C ATOM 1610 C ALA A 103 -10.963 0.661 4.778 1.00 0.36 C ATOM 1611 O ALA A 103 -11.084 -0.440 4.243 1.00 0.35 O ATOM 1612 CB ALA A 103 -8.872 2.016 4.828 1.00 0.91 C ATOM 0 H ALA A 103 -8.989 -0.918 5.207 1.00 0.38 H new ATOM 0 HA ALA A 103 -10.050 1.453 6.525 1.00 0.54 H new ATOM 0 HB1 ALA A 103 -9.471 2.897 4.596 1.00 0.91 H new ATOM 0 HB2 ALA A 103 -8.020 2.308 5.443 1.00 0.91 H new ATOM 0 HB3 ALA A 103 -8.514 1.567 3.902 1.00 0.91 H new ATOM 1618 N THR A 104 -11.872 1.620 4.686 1.00 0.41 N ATOM 1619 CA THR A 104 -13.101 1.458 3.928 1.00 0.38 C ATOM 1620 C THR A 104 -13.521 2.792 3.323 1.00 0.41 C ATOM 1621 O THR A 104 -13.564 3.796 4.032 1.00 0.51 O ATOM 1622 CB THR A 104 -14.251 0.943 4.820 1.00 0.50 C ATOM 1623 OG1 THR A 104 -13.768 0.660 6.141 1.00 0.73 O ATOM 1624 CG2 THR A 104 -14.879 -0.305 4.229 1.00 0.70 C ATOM 0 H THR A 104 -11.778 2.531 5.135 1.00 0.41 H new ATOM 0 HA THR A 104 -12.906 0.728 3.143 1.00 0.38 H new ATOM 0 HB THR A 104 -15.010 1.723 4.873 1.00 0.50 H new ATOM 0 HG1 THR A 104 -14.507 0.336 6.697 1.00 0.73 H new ATOM 0 HG21 THR A 104 -15.686 -0.648 4.876 1.00 0.70 H new ATOM 0 HG22 THR A 104 -15.278 -0.078 3.240 1.00 0.70 H new ATOM 0 HG23 THR A 104 -14.125 -1.087 4.145 1.00 0.70 H new ATOM 1632 N PRO A 105 -13.811 2.833 2.005 1.00 0.36 N ATOM 1633 CA PRO A 105 -14.257 4.061 1.336 1.00 0.38 C ATOM 1634 C PRO A 105 -15.538 4.612 1.969 1.00 0.40 C ATOM 1635 O PRO A 105 -16.095 3.999 2.887 1.00 0.59 O ATOM 1636 CB PRO A 105 -14.519 3.642 -0.113 1.00 0.44 C ATOM 1637 CG PRO A 105 -13.910 2.288 -0.292 1.00 0.45 C ATOM 1638 CD PRO A 105 -13.706 1.695 1.080 1.00 0.40 C ATOM 0 HA PRO A 105 -13.514 4.854 1.418 1.00 0.38 H new ATOM 0 HB2 PRO A 105 -15.589 3.614 -0.319 1.00 0.44 H new ATOM 0 HB3 PRO A 105 -14.079 4.358 -0.807 1.00 0.44 H new ATOM 0 HG2 PRO A 105 -14.561 1.652 -0.891 1.00 0.45 H new ATOM 0 HG3 PRO A 105 -12.961 2.362 -0.822 1.00 0.45 H new ATOM 0 HD2 PRO A 105 -14.459 0.938 1.299 1.00 0.40 H new ATOM 0 HD3 PRO A 105 -12.733 1.210 1.160 1.00 0.40 H new ATOM 1646 N TRP A 106 -15.982 5.784 1.517 1.00 0.35 N ATOM 1647 CA TRP A 106 -17.160 6.423 2.098 1.00 0.41 C ATOM 1648 C TRP A 106 -18.350 5.460 2.122 1.00 0.48 C ATOM 1649 O TRP A 106 -18.693 4.847 1.108 1.00 0.65 O ATOM 1650 CB TRP A 106 -17.539 7.704 1.340 1.00 0.51 C ATOM 1651 CG TRP A 106 -18.967 8.099 1.570 1.00 0.77 C ATOM 1652 CD1 TRP A 106 -19.560 8.345 2.776 1.00 1.25 C ATOM 1653 CD2 TRP A 106 -19.987 8.259 0.580 1.00 0.74 C ATOM 1654 NE1 TRP A 106 -20.890 8.619 2.598 1.00 1.46 N ATOM 1655 CE2 TRP A 106 -21.177 8.579 1.260 1.00 1.13 C ATOM 1656 CE3 TRP A 106 -20.013 8.160 -0.812 1.00 0.73 C ATOM 1657 CZ2 TRP A 106 -22.378 8.789 0.594 1.00 1.25 C ATOM 1658 CZ3 TRP A 106 -21.205 8.378 -1.474 1.00 0.92 C ATOM 1659 CH2 TRP A 106 -22.374 8.686 -0.771 1.00 1.07 C ATOM 0 H TRP A 106 -15.547 6.306 0.756 1.00 0.35 H new ATOM 0 HA TRP A 106 -16.906 6.695 3.122 1.00 0.41 H new ATOM 0 HB2 TRP A 106 -16.884 8.517 1.654 1.00 0.51 H new ATOM 0 HB3 TRP A 106 -17.373 7.555 0.273 1.00 0.51 H new ATOM 0 HD1 TRP A 106 -19.054 8.326 3.730 1.00 1.25 H new ATOM 0 HE1 TRP A 106 -21.558 8.820 3.342 1.00 1.46 H new ATOM 0 HE3 TRP A 106 -19.116 7.917 -1.362 1.00 0.73 H new ATOM 0 HZ2 TRP A 106 -23.283 9.025 1.134 1.00 1.25 H new ATOM 0 HZ3 TRP A 106 -21.235 8.310 -2.551 1.00 0.92 H new ATOM 0 HH2 TRP A 106 -23.292 8.846 -1.316 1.00 1.07 H new ATOM 1670 N THR A 107 -18.955 5.324 3.293 1.00 0.60 N ATOM 1671 CA THR A 107 -20.082 4.431 3.482 1.00 0.75 C ATOM 1672 C THR A 107 -21.359 4.979 2.837 1.00 0.82 C ATOM 1673 O THR A 107 -22.209 5.563 3.511 1.00 0.89 O ATOM 1674 CB THR A 107 -20.334 4.190 4.980 1.00 0.96 C ATOM 1675 OG1 THR A 107 -19.439 5.001 5.757 1.00 1.19 O ATOM 1676 CG2 THR A 107 -20.136 2.726 5.336 1.00 1.19 C ATOM 0 H THR A 107 -18.677 5.829 4.135 1.00 0.60 H new ATOM 0 HA THR A 107 -19.828 3.490 2.995 1.00 0.75 H new ATOM 0 HB THR A 107 -21.366 4.462 5.203 1.00 0.96 H new ATOM 0 HG1 THR A 107 -19.603 4.847 6.711 1.00 1.19 H new ATOM 0 HG21 THR A 107 -20.320 2.582 6.401 1.00 1.19 H new ATOM 0 HG22 THR A 107 -20.832 2.115 4.762 1.00 1.19 H new ATOM 0 HG23 THR A 107 -19.114 2.430 5.101 1.00 1.19 H new ATOM 1684 N GLU A 108 -21.519 4.714 1.543 1.00 1.03 N ATOM 1685 CA GLU A 108 -22.733 5.093 0.822 1.00 1.27 C ATOM 1686 C GLU A 108 -23.898 4.228 1.284 1.00 1.32 C ATOM 1687 O GLU A 108 -25.066 4.582 1.114 1.00 1.87 O ATOM 1688 CB GLU A 108 -22.523 4.927 -0.686 1.00 1.77 C ATOM 1689 CG GLU A 108 -23.664 5.477 -1.529 1.00 2.11 C ATOM 1690 CD GLU A 108 -23.646 4.954 -2.948 1.00 2.75 C ATOM 1691 OE1 GLU A 108 -23.590 3.720 -3.132 1.00 3.11 O ATOM 1692 OE2 GLU A 108 -23.688 5.775 -3.889 1.00 3.25 O ATOM 0 H GLU A 108 -20.822 4.237 0.971 1.00 1.03 H new ATOM 0 HA GLU A 108 -22.959 6.138 1.032 1.00 1.27 H new ATOM 0 HB2 GLU A 108 -21.598 5.428 -0.972 1.00 1.77 H new ATOM 0 HB3 GLU A 108 -22.395 3.868 -0.911 1.00 1.77 H new ATOM 0 HG2 GLU A 108 -24.614 5.216 -1.062 1.00 2.11 H new ATOM 0 HG3 GLU A 108 -23.606 6.565 -1.546 1.00 2.11 H new ATOM 1699 N GLU A 109 -23.543 3.109 1.900 1.00 1.51 N ATOM 1700 CA GLU A 109 -24.504 2.142 2.417 1.00 1.77 C ATOM 1701 C GLU A 109 -25.398 1.624 1.297 1.00 2.52 C ATOM 1702 O GLU A 109 -24.858 1.290 0.222 1.00 3.20 O ATOM 1703 CB GLU A 109 -25.339 2.754 3.545 1.00 2.25 C ATOM 1704 CG GLU A 109 -24.579 2.879 4.856 1.00 2.64 C ATOM 1705 CD GLU A 109 -24.630 1.614 5.688 1.00 3.64 C ATOM 1706 OE1 GLU A 109 -24.245 0.545 5.173 1.00 3.99 O ATOM 1707 OE2 GLU A 109 -25.062 1.678 6.856 1.00 4.37 O ATOM 1708 OXT GLU A 109 -26.628 1.547 1.492 1.00 2.99 O ATOM 0 H GLU A 109 -22.571 2.844 2.057 1.00 1.51 H new ATOM 0 HA GLU A 109 -23.952 1.298 2.829 1.00 1.77 H new ATOM 0 HB2 GLU A 109 -25.684 3.741 3.238 1.00 2.25 H new ATOM 0 HB3 GLU A 109 -26.226 2.141 3.704 1.00 2.25 H new ATOM 0 HG2 GLU A 109 -23.539 3.128 4.645 1.00 2.64 H new ATOM 0 HG3 GLU A 109 -24.994 3.705 5.434 1.00 2.64 H new TER 1715 GLU A 109