USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 410 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 45 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 64 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 36 HIS : no HE2:sc= -1.8! C(o=-2.9!,f=-16!) USER MOD Set 2.2: A 46 LYS NZ :NH3+ 160:sc= 1.41 (180deg=-0.18) USER MOD Set 2.3: A 60 TYR OH : rot 128:sc= -2.47! USER MOD Single : A 14 SER OG : rot 27:sc= 0.532 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.104 USER MOD Single : A 18 SER OG : rot 180:sc= 0.102 USER MOD Single : A 20 GLN : amide:sc= -3.31! C(o=-3.3!,f=-6.1!) USER MOD Single : A 23 MET CE :methyl 156:sc= -0.172 (180deg=-1.36!) USER MOD Single : A 28 MET CE :methyl 167:sc= -0.0515 (180deg=-0.375) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -6.56! C(o=-6.6!,f=-20!) USER MOD Single : A 42 GLN : amide:sc= 0.889 K(o=0.89,f=-4.3!) USER MOD Single : A 63 MET CE :methyl 130:sc= -0.186 (180deg=-1.04) USER MOD Single : A 65 MET CE :methyl -150:sc= -2.2 (180deg=-2.89) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.164 K(o=-0.16,f=-0.93) USER MOD Single : A 76 HIS : no HD1:sc= -0.106 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 23 N SER A 14 6.763 0.370 -7.646 1.00 0.00 N ATOM 24 CA SER A 14 5.628 -0.459 -7.152 1.00 0.00 C ATOM 25 C SER A 14 5.388 -0.163 -5.670 1.00 0.00 C ATOM 26 O SER A 14 6.255 0.337 -4.980 1.00 0.00 O ATOM 27 CB SER A 14 5.963 -1.944 -7.325 1.00 0.00 C ATOM 28 OG SER A 14 6.660 -2.128 -8.547 1.00 0.00 O ATOM 0 HA SER A 14 4.731 -0.220 -7.723 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.572 -2.291 -6.490 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.049 -2.538 -7.321 1.00 0.00 H new ATOM 0 HG SER A 14 7.133 -1.302 -8.782 1.00 0.00 H new ATOM 34 N ILE A 15 4.221 -0.487 -5.174 1.00 0.00 N ATOM 35 CA ILE A 15 3.907 -0.252 -3.731 1.00 0.00 C ATOM 36 C ILE A 15 3.302 -1.527 -3.144 1.00 0.00 C ATOM 37 O ILE A 15 2.404 -2.117 -3.708 1.00 0.00 O ATOM 38 CB ILE A 15 2.908 0.902 -3.599 1.00 0.00 C ATOM 39 CG1 ILE A 15 3.588 2.207 -4.027 1.00 0.00 C ATOM 40 CG2 ILE A 15 2.444 1.017 -2.143 1.00 0.00 C ATOM 41 CD1 ILE A 15 2.543 3.320 -4.141 1.00 0.00 C ATOM 0 H ILE A 15 3.464 -0.909 -5.713 1.00 0.00 H new ATOM 0 HA ILE A 15 4.819 0.007 -3.193 1.00 0.00 H new ATOM 0 HB ILE A 15 2.044 0.713 -4.236 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.352 2.485 -3.301 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.092 2.069 -4.983 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.733 1.838 -2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.964 0.087 -1.839 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.304 1.208 -1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.030 4.246 -4.445 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.795 3.042 -4.884 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.059 3.465 -3.175 1.00 0.00 H new ATOM 53 N TRP A 16 3.791 -1.958 -2.011 1.00 0.00 N ATOM 54 CA TRP A 16 3.255 -3.197 -1.373 1.00 0.00 C ATOM 55 C TRP A 16 3.173 -2.969 0.136 1.00 0.00 C ATOM 56 O TRP A 16 4.120 -2.522 0.753 1.00 0.00 O ATOM 57 CB TRP A 16 4.207 -4.362 -1.657 1.00 0.00 C ATOM 58 CG TRP A 16 4.378 -4.532 -3.135 1.00 0.00 C ATOM 59 CD1 TRP A 16 5.125 -3.727 -3.930 1.00 0.00 C ATOM 60 CD2 TRP A 16 3.821 -5.562 -4.006 1.00 0.00 C ATOM 61 NE1 TRP A 16 5.055 -4.193 -5.228 1.00 0.00 N ATOM 62 CE2 TRP A 16 4.265 -5.321 -5.328 1.00 0.00 C ATOM 63 CE3 TRP A 16 2.980 -6.668 -3.782 1.00 0.00 C ATOM 64 CZ2 TRP A 16 3.890 -6.147 -6.388 1.00 0.00 C ATOM 65 CZ3 TRP A 16 2.602 -7.502 -4.848 1.00 0.00 C ATOM 66 CH2 TRP A 16 3.056 -7.242 -6.147 1.00 0.00 C ATOM 0 H TRP A 16 4.544 -1.502 -1.496 1.00 0.00 H new ATOM 0 HA TRP A 16 2.268 -3.429 -1.772 1.00 0.00 H new ATOM 0 HB2 TRP A 16 5.174 -4.175 -1.189 1.00 0.00 H new ATOM 0 HB3 TRP A 16 3.813 -5.280 -1.220 1.00 0.00 H new ATOM 0 HD1 TRP A 16 5.683 -2.863 -3.602 1.00 0.00 H new ATOM 0 HE1 TRP A 16 5.530 -3.756 -6.018 1.00 0.00 H new ATOM 0 HE3 TRP A 16 2.623 -6.877 -2.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 4.242 -5.941 -7.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 1.957 -8.349 -4.664 1.00 0.00 H new ATOM 0 HH2 TRP A 16 2.762 -7.887 -6.962 1.00 0.00 H new ATOM 77 N CYS A 17 2.043 -3.256 0.733 1.00 0.00 N ATOM 78 CA CYS A 17 1.882 -3.044 2.206 1.00 0.00 C ATOM 79 C CYS A 17 1.285 -4.300 2.850 1.00 0.00 C ATOM 80 O CYS A 17 0.422 -4.947 2.289 1.00 0.00 O ATOM 81 CB CYS A 17 0.945 -1.857 2.434 1.00 0.00 C ATOM 82 SG CYS A 17 1.636 -0.383 1.642 1.00 0.00 S ATOM 0 H CYS A 17 1.220 -3.630 0.261 1.00 0.00 H new ATOM 0 HA CYS A 17 2.854 -2.843 2.657 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.041 -2.075 2.024 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.815 -1.682 3.502 1.00 0.00 H new ATOM 0 HG CYS A 17 0.839 0.626 1.833 1.00 0.00 H new ATOM 88 N SER A 18 1.734 -4.646 4.027 1.00 0.00 N ATOM 89 CA SER A 18 1.189 -5.854 4.713 1.00 0.00 C ATOM 90 C SER A 18 -0.236 -5.544 5.198 1.00 0.00 C ATOM 91 O SER A 18 -0.597 -4.397 5.372 1.00 0.00 O ATOM 92 CB SER A 18 2.098 -6.206 5.905 1.00 0.00 C ATOM 93 OG SER A 18 2.773 -5.032 6.338 1.00 0.00 O ATOM 0 H SER A 18 2.456 -4.144 4.544 1.00 0.00 H new ATOM 0 HA SER A 18 1.158 -6.703 4.030 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.505 -6.621 6.720 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.820 -6.969 5.615 1.00 0.00 H new ATOM 0 HG SER A 18 3.352 -5.249 7.098 1.00 0.00 H new ATOM 99 N PRO A 19 -1.044 -6.554 5.410 1.00 0.00 N ATOM 100 CA PRO A 19 -2.449 -6.365 5.876 1.00 0.00 C ATOM 101 C PRO A 19 -2.528 -5.503 7.143 1.00 0.00 C ATOM 102 O PRO A 19 -3.491 -4.797 7.356 1.00 0.00 O ATOM 103 CB PRO A 19 -2.966 -7.795 6.144 1.00 0.00 C ATOM 104 CG PRO A 19 -1.755 -8.686 6.108 1.00 0.00 C ATOM 105 CD PRO A 19 -0.720 -7.977 5.232 1.00 0.00 C ATOM 0 HA PRO A 19 -3.048 -5.835 5.135 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.466 -7.855 7.111 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.694 -8.095 5.390 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.365 -8.851 7.112 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.005 -9.664 5.698 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.298 -8.201 5.551 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.801 -8.280 4.188 1.00 0.00 H new ATOM 113 N GLN A 20 -1.532 -5.550 7.984 1.00 0.00 N ATOM 114 CA GLN A 20 -1.590 -4.728 9.223 1.00 0.00 C ATOM 115 C GLN A 20 -1.707 -3.266 8.811 1.00 0.00 C ATOM 116 O GLN A 20 -2.512 -2.516 9.332 1.00 0.00 O ATOM 117 CB GLN A 20 -0.303 -4.928 10.031 1.00 0.00 C ATOM 118 CG GLN A 20 -0.375 -4.129 11.339 1.00 0.00 C ATOM 119 CD GLN A 20 -0.058 -2.654 11.070 1.00 0.00 C ATOM 120 OE1 GLN A 20 0.590 -2.326 10.095 1.00 0.00 O ATOM 121 NE2 GLN A 20 -0.501 -1.745 11.893 1.00 0.00 N ATOM 0 H GLN A 20 -0.691 -6.115 7.869 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.442 -5.022 9.835 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.162 -5.987 10.249 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.558 -4.606 9.445 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.369 -4.222 11.777 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.332 -4.535 12.062 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.045 -2.019 12.711 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.304 -0.760 11.719 1.00 0.00 H new ATOM 130 N GLU A 21 -0.924 -2.864 7.855 1.00 0.00 N ATOM 131 CA GLU A 21 -0.997 -1.463 7.379 1.00 0.00 C ATOM 132 C GLU A 21 -2.404 -1.206 6.843 1.00 0.00 C ATOM 133 O GLU A 21 -2.988 -0.165 7.070 1.00 0.00 O ATOM 134 CB GLU A 21 0.022 -1.274 6.260 1.00 0.00 C ATOM 135 CG GLU A 21 1.436 -1.323 6.844 1.00 0.00 C ATOM 136 CD GLU A 21 2.460 -1.204 5.714 1.00 0.00 C ATOM 137 OE1 GLU A 21 2.715 -2.205 5.064 1.00 0.00 O ATOM 138 OE2 GLU A 21 2.972 -0.114 5.518 1.00 0.00 O ATOM 0 H GLU A 21 -0.235 -3.448 7.382 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.780 -0.768 8.190 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.099 -2.053 5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.144 -0.320 5.760 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.573 -0.513 7.560 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.584 -2.257 7.387 1.00 0.00 H new ATOM 145 N ILE A 22 -2.955 -2.156 6.134 1.00 0.00 N ATOM 146 CA ILE A 22 -4.327 -1.974 5.589 1.00 0.00 C ATOM 147 C ILE A 22 -5.334 -1.959 6.743 1.00 0.00 C ATOM 148 O ILE A 22 -6.191 -1.102 6.814 1.00 0.00 O ATOM 149 CB ILE A 22 -4.658 -3.117 4.622 1.00 0.00 C ATOM 150 CG1 ILE A 22 -3.758 -3.010 3.384 1.00 0.00 C ATOM 151 CG2 ILE A 22 -6.125 -3.018 4.195 1.00 0.00 C ATOM 152 CD1 ILE A 22 -3.893 -4.272 2.522 1.00 0.00 C ATOM 0 H ILE A 22 -2.513 -3.048 5.911 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.381 -1.028 5.050 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.489 -4.073 5.117 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.032 -2.131 2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.720 -2.879 3.690 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.360 -3.831 3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.765 -3.090 5.074 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.296 -2.063 3.699 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.250 -4.185 1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.596 -5.144 3.105 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.929 -4.385 2.202 1.00 0.00 H new ATOM 164 N MET A 23 -5.250 -2.908 7.644 1.00 0.00 N ATOM 165 CA MET A 23 -6.211 -2.954 8.784 1.00 0.00 C ATOM 166 C MET A 23 -6.420 -1.558 9.377 1.00 0.00 C ATOM 167 O MET A 23 -7.475 -1.253 9.897 1.00 0.00 O ATOM 168 CB MET A 23 -5.642 -3.859 9.883 1.00 0.00 C ATOM 169 CG MET A 23 -5.767 -5.333 9.489 1.00 0.00 C ATOM 170 SD MET A 23 -4.776 -6.321 10.635 1.00 0.00 S ATOM 171 CE MET A 23 -5.638 -5.857 12.157 1.00 0.00 C ATOM 0 H MET A 23 -4.554 -3.654 7.636 1.00 0.00 H new ATOM 0 HA MET A 23 -7.163 -3.336 8.416 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.595 -3.612 10.059 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.173 -3.681 10.818 1.00 0.00 H new ATOM 0 HG2 MET A 23 -6.810 -5.647 9.523 1.00 0.00 H new ATOM 0 HG3 MET A 23 -5.423 -5.482 8.466 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.495 -6.634 12.908 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.236 -4.915 12.530 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.702 -5.742 11.952 1.00 0.00 H new ATOM 181 N ALA A 24 -5.426 -0.713 9.334 1.00 0.00 N ATOM 182 CA ALA A 24 -5.591 0.644 9.935 1.00 0.00 C ATOM 183 C ALA A 24 -6.343 1.575 8.981 1.00 0.00 C ATOM 184 O ALA A 24 -6.740 2.661 9.357 1.00 0.00 O ATOM 185 CB ALA A 24 -4.211 1.233 10.237 1.00 0.00 C ATOM 0 H ALA A 24 -4.515 -0.899 8.914 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.169 0.550 10.854 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.327 2.224 10.676 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.684 0.585 10.937 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.638 1.310 9.313 1.00 0.00 H new ATOM 191 N ALA A 25 -6.552 1.177 7.754 1.00 0.00 N ATOM 192 CA ALA A 25 -7.288 2.066 6.806 1.00 0.00 C ATOM 193 C ALA A 25 -8.795 1.898 7.015 1.00 0.00 C ATOM 194 O ALA A 25 -9.318 0.802 6.976 1.00 0.00 O ATOM 195 CB ALA A 25 -6.927 1.694 5.368 1.00 0.00 C ATOM 0 H ALA A 25 -6.248 0.283 7.369 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.008 3.103 6.991 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.465 2.344 4.678 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.854 1.816 5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.204 0.657 5.180 1.00 0.00 H new ATOM 201 N ASP A 26 -9.494 2.979 7.236 1.00 0.00 N ATOM 202 CA ASP A 26 -10.968 2.888 7.447 1.00 0.00 C ATOM 203 C ASP A 26 -11.635 2.274 6.211 1.00 0.00 C ATOM 204 O ASP A 26 -12.547 1.480 6.317 1.00 0.00 O ATOM 205 CB ASP A 26 -11.536 4.291 7.695 1.00 0.00 C ATOM 206 CG ASP A 26 -11.143 4.755 9.099 1.00 0.00 C ATOM 207 OD1 ASP A 26 -11.274 3.964 10.017 1.00 0.00 O ATOM 208 OD2 ASP A 26 -10.715 5.890 9.233 1.00 0.00 O ATOM 0 H ASP A 26 -9.108 3.922 7.280 1.00 0.00 H new ATOM 0 HA ASP A 26 -11.169 2.255 8.312 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.154 4.988 6.949 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.621 4.280 7.594 1.00 0.00 H new ATOM 213 N GLY A 27 -11.189 2.641 5.042 1.00 0.00 N ATOM 214 CA GLY A 27 -11.800 2.090 3.795 1.00 0.00 C ATOM 215 C GLY A 27 -11.804 0.558 3.824 1.00 0.00 C ATOM 216 O GLY A 27 -12.662 -0.073 3.238 1.00 0.00 O ATOM 0 H GLY A 27 -10.425 3.301 4.894 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.820 2.459 3.690 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.243 2.441 2.926 1.00 0.00 H new ATOM 220 N MET A 28 -10.845 -0.047 4.485 1.00 0.00 N ATOM 221 CA MET A 28 -10.773 -1.547 4.545 1.00 0.00 C ATOM 222 C MET A 28 -10.868 -2.001 6.016 1.00 0.00 C ATOM 223 O MET A 28 -9.871 -2.299 6.644 1.00 0.00 O ATOM 224 CB MET A 28 -9.436 -2.022 3.933 1.00 0.00 C ATOM 225 CG MET A 28 -9.012 -1.088 2.794 1.00 0.00 C ATOM 226 SD MET A 28 -10.289 -1.072 1.510 1.00 0.00 S ATOM 227 CE MET A 28 -9.212 -0.648 0.116 1.00 0.00 C ATOM 0 H MET A 28 -10.102 0.436 4.990 1.00 0.00 H new ATOM 0 HA MET A 28 -11.598 -1.980 3.980 1.00 0.00 H new ATOM 0 HB2 MET A 28 -8.663 -2.044 4.702 1.00 0.00 H new ATOM 0 HB3 MET A 28 -9.541 -3.040 3.558 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.855 -0.080 3.177 1.00 0.00 H new ATOM 0 HG3 MET A 28 -8.063 -1.420 2.373 1.00 0.00 H new ATOM 0 HE1 MET A 28 -9.748 -0.809 -0.820 1.00 0.00 H new ATOM 0 HE2 MET A 28 -8.917 0.399 0.190 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.323 -1.278 0.138 1.00 0.00 H new ATOM 237 N PRO A 29 -12.056 -2.030 6.572 1.00 0.00 N ATOM 238 CA PRO A 29 -12.271 -2.429 7.997 1.00 0.00 C ATOM 239 C PRO A 29 -12.291 -3.948 8.192 1.00 0.00 C ATOM 240 O PRO A 29 -12.434 -4.705 7.252 1.00 0.00 O ATOM 241 CB PRO A 29 -13.642 -1.836 8.317 1.00 0.00 C ATOM 242 CG PRO A 29 -14.382 -1.900 7.019 1.00 0.00 C ATOM 243 CD PRO A 29 -13.334 -1.692 5.914 1.00 0.00 C ATOM 0 HA PRO A 29 -11.467 -2.076 8.643 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -14.151 -2.406 9.094 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.558 -0.811 8.677 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -14.883 -2.861 6.904 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.153 -1.131 6.973 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -13.525 -2.336 5.056 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.336 -0.665 5.549 1.00 0.00 H new ATOM 251 N GLY A 30 -12.140 -4.394 9.415 1.00 0.00 N ATOM 252 CA GLY A 30 -12.137 -5.860 9.708 1.00 0.00 C ATOM 253 C GLY A 30 -10.726 -6.267 10.118 1.00 0.00 C ATOM 254 O GLY A 30 -9.768 -5.573 9.839 1.00 0.00 O ATOM 0 H GLY A 30 -12.017 -3.796 10.232 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.844 -6.089 10.505 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.454 -6.423 8.830 1.00 0.00 H new ATOM 258 N SER A 31 -10.577 -7.377 10.784 1.00 0.00 N ATOM 259 CA SER A 31 -9.216 -7.803 11.212 1.00 0.00 C ATOM 260 C SER A 31 -8.431 -8.264 9.986 1.00 0.00 C ATOM 261 O SER A 31 -8.789 -7.966 8.865 1.00 0.00 O ATOM 262 CB SER A 31 -9.331 -8.956 12.210 1.00 0.00 C ATOM 263 OG SER A 31 -9.840 -10.104 11.543 1.00 0.00 O ATOM 0 H SER A 31 -11.335 -8.006 11.050 1.00 0.00 H new ATOM 0 HA SER A 31 -8.701 -6.968 11.687 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.355 -9.176 12.644 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.990 -8.677 13.032 1.00 0.00 H new ATOM 0 HG SER A 31 -9.914 -10.846 12.179 1.00 0.00 H new ATOM 269 N VAL A 32 -7.352 -8.969 10.182 1.00 0.00 N ATOM 270 CA VAL A 32 -6.552 -9.414 9.010 1.00 0.00 C ATOM 271 C VAL A 32 -7.438 -10.242 8.077 1.00 0.00 C ATOM 272 O VAL A 32 -7.545 -9.958 6.899 1.00 0.00 O ATOM 273 CB VAL A 32 -5.370 -10.262 9.487 1.00 0.00 C ATOM 274 CG1 VAL A 32 -4.531 -10.684 8.284 1.00 0.00 C ATOM 275 CG2 VAL A 32 -4.507 -9.444 10.453 1.00 0.00 C ATOM 0 H VAL A 32 -6.993 -9.253 11.093 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.175 -8.543 8.474 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.743 -11.149 10.000 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.689 -11.288 8.622 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.145 -11.269 7.599 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.159 -9.797 7.771 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.666 -10.049 10.791 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.133 -8.556 9.944 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.107 -9.144 11.312 1.00 0.00 H new ATOM 285 N ALA A 33 -8.083 -11.258 8.583 1.00 0.00 N ATOM 286 CA ALA A 33 -8.964 -12.087 7.713 1.00 0.00 C ATOM 287 C ALA A 33 -10.108 -11.226 7.168 1.00 0.00 C ATOM 288 O ALA A 33 -10.499 -11.348 6.025 1.00 0.00 O ATOM 289 CB ALA A 33 -9.541 -13.251 8.521 1.00 0.00 C ATOM 0 H ALA A 33 -8.038 -11.549 9.560 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.379 -12.480 6.882 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.185 -13.855 7.881 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.727 -13.868 8.902 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.123 -12.861 9.356 1.00 0.00 H new ATOM 295 N GLY A 34 -10.654 -10.357 7.975 1.00 0.00 N ATOM 296 CA GLY A 34 -11.773 -9.500 7.489 1.00 0.00 C ATOM 297 C GLY A 34 -11.349 -8.812 6.192 1.00 0.00 C ATOM 298 O GLY A 34 -12.094 -8.759 5.234 1.00 0.00 O ATOM 0 H GLY A 34 -10.376 -10.204 8.944 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.664 -10.105 7.320 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.031 -8.756 8.242 1.00 0.00 H new ATOM 302 N VAL A 35 -10.149 -8.301 6.143 1.00 0.00 N ATOM 303 CA VAL A 35 -9.675 -7.640 4.897 1.00 0.00 C ATOM 304 C VAL A 35 -9.623 -8.692 3.782 1.00 0.00 C ATOM 305 O VAL A 35 -10.033 -8.451 2.664 1.00 0.00 O ATOM 306 CB VAL A 35 -8.274 -7.060 5.137 1.00 0.00 C ATOM 307 CG1 VAL A 35 -7.639 -6.653 3.800 1.00 0.00 C ATOM 308 CG2 VAL A 35 -8.383 -5.828 6.052 1.00 0.00 C ATOM 0 H VAL A 35 -9.478 -8.313 6.911 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.349 -6.833 4.611 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.648 -7.816 5.612 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.645 -6.242 3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.559 -7.527 3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.261 -5.900 3.316 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.390 -5.414 6.224 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.012 -5.076 5.576 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.825 -6.120 7.005 1.00 0.00 H new ATOM 318 N HIS A 36 -9.138 -9.865 4.094 1.00 0.00 N ATOM 319 CA HIS A 36 -9.074 -10.948 3.072 1.00 0.00 C ATOM 320 C HIS A 36 -10.487 -11.248 2.582 1.00 0.00 C ATOM 321 O HIS A 36 -10.711 -11.521 1.419 1.00 0.00 O ATOM 322 CB HIS A 36 -8.488 -12.221 3.693 1.00 0.00 C ATOM 323 CG HIS A 36 -7.017 -12.046 3.936 1.00 0.00 C ATOM 324 ND1 HIS A 36 -6.519 -11.197 4.910 1.00 0.00 N ATOM 325 CD2 HIS A 36 -5.924 -12.623 3.346 1.00 0.00 C ATOM 326 CE1 HIS A 36 -5.176 -11.291 4.876 1.00 0.00 C ATOM 327 NE2 HIS A 36 -4.762 -12.147 3.942 1.00 0.00 N ATOM 0 H HIS A 36 -8.783 -10.119 5.016 1.00 0.00 H new ATOM 0 HA HIS A 36 -8.443 -10.625 2.244 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -8.996 -12.444 4.631 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -8.657 -13.069 3.030 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -7.068 -10.609 5.537 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.960 -13.340 2.539 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.514 -10.739 5.527 1.00 0.00 H new ATOM 335 N TYR A 37 -11.439 -11.221 3.472 1.00 0.00 N ATOM 336 CA TYR A 37 -12.838 -11.528 3.077 1.00 0.00 C ATOM 337 C TYR A 37 -13.302 -10.533 2.013 1.00 0.00 C ATOM 338 O TYR A 37 -13.912 -10.904 1.038 1.00 0.00 O ATOM 339 CB TYR A 37 -13.743 -11.431 4.305 1.00 0.00 C ATOM 340 CG TYR A 37 -15.132 -11.900 3.945 1.00 0.00 C ATOM 341 CD1 TYR A 37 -15.446 -13.261 4.017 1.00 0.00 C ATOM 342 CD2 TYR A 37 -16.106 -10.976 3.548 1.00 0.00 C ATOM 343 CE1 TYR A 37 -16.732 -13.702 3.688 1.00 0.00 C ATOM 344 CE2 TYR A 37 -17.395 -11.416 3.220 1.00 0.00 C ATOM 345 CZ TYR A 37 -17.707 -12.779 3.290 1.00 0.00 C ATOM 346 OH TYR A 37 -18.977 -13.213 2.965 1.00 0.00 O ATOM 0 H TYR A 37 -11.306 -10.999 4.459 1.00 0.00 H new ATOM 0 HA TYR A 37 -12.888 -12.537 2.668 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -13.341 -12.039 5.115 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.777 -10.403 4.665 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.695 -13.972 4.327 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.864 -9.925 3.495 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -16.973 -14.753 3.741 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -18.147 -10.704 2.913 1.00 0.00 H new ATOM 0 HH TYR A 37 -19.530 -12.445 2.711 1.00 0.00 H new ATOM 356 N ARG A 38 -13.021 -9.274 2.181 1.00 0.00 N ATOM 357 CA ARG A 38 -13.457 -8.288 1.153 1.00 0.00 C ATOM 358 C ARG A 38 -12.703 -8.549 -0.160 1.00 0.00 C ATOM 359 O ARG A 38 -13.260 -8.459 -1.235 1.00 0.00 O ATOM 360 CB ARG A 38 -13.151 -6.869 1.641 1.00 0.00 C ATOM 361 CG ARG A 38 -13.682 -5.848 0.630 1.00 0.00 C ATOM 362 CD ARG A 38 -13.375 -4.435 1.124 1.00 0.00 C ATOM 363 NE ARG A 38 -13.892 -3.442 0.140 1.00 0.00 N ATOM 364 CZ ARG A 38 -14.008 -2.187 0.479 1.00 0.00 C ATOM 365 NH1 ARG A 38 -13.679 -1.804 1.682 1.00 0.00 N ATOM 366 NH2 ARG A 38 -14.454 -1.315 -0.384 1.00 0.00 N ATOM 0 H ARG A 38 -12.514 -8.886 2.976 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.529 -8.391 0.985 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -13.610 -6.703 2.615 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.076 -6.742 1.769 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -13.222 -6.012 -0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -14.757 -5.974 0.500 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.835 -4.271 2.098 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.300 -4.309 1.254 1.00 0.00 H new ATOM 0 HE ARG A 38 -14.155 -3.743 -0.798 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.331 -2.485 2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.769 -0.823 1.948 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.712 -1.614 -1.324 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.544 -0.334 -0.118 1.00 0.00 H new ATOM 380 N ALA A 39 -11.429 -8.837 -0.077 1.00 0.00 N ATOM 381 CA ALA A 39 -10.621 -9.062 -1.315 1.00 0.00 C ATOM 382 C ALA A 39 -10.760 -10.501 -1.830 1.00 0.00 C ATOM 383 O ALA A 39 -10.136 -10.869 -2.804 1.00 0.00 O ATOM 384 CB ALA A 39 -9.148 -8.781 -1.010 1.00 0.00 C ATOM 0 H ALA A 39 -10.912 -8.926 0.797 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.991 -8.388 -2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.553 -8.943 -1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.035 -7.748 -0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.805 -9.452 -0.222 1.00 0.00 H new ATOM 390 N ASN A 40 -11.577 -11.319 -1.219 1.00 0.00 N ATOM 391 CA ASN A 40 -11.724 -12.708 -1.746 1.00 0.00 C ATOM 392 C ASN A 40 -12.532 -12.652 -3.049 1.00 0.00 C ATOM 393 O ASN A 40 -12.234 -13.334 -4.011 1.00 0.00 O ATOM 394 CB ASN A 40 -12.412 -13.617 -0.713 1.00 0.00 C ATOM 395 CG ASN A 40 -13.811 -13.101 -0.374 1.00 0.00 C ATOM 396 OD1 ASN A 40 -14.249 -12.101 -0.894 1.00 0.00 O ATOM 397 ND2 ASN A 40 -14.537 -13.754 0.492 1.00 0.00 N ATOM 0 H ASN A 40 -12.137 -11.093 -0.397 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.739 -13.131 -1.943 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -12.480 -14.632 -1.105 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.809 -13.665 0.194 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -15.471 -13.421 0.729 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -14.170 -14.598 0.932 1.00 0.00 H new ATOM 404 N VAL A 41 -13.542 -11.823 -3.089 1.00 0.00 N ATOM 405 CA VAL A 41 -14.365 -11.692 -4.324 1.00 0.00 C ATOM 406 C VAL A 41 -13.531 -11.003 -5.407 1.00 0.00 C ATOM 407 O VAL A 41 -13.577 -11.366 -6.565 1.00 0.00 O ATOM 408 CB VAL A 41 -15.622 -10.860 -4.020 1.00 0.00 C ATOM 409 CG1 VAL A 41 -16.332 -10.483 -5.328 1.00 0.00 C ATOM 410 CG2 VAL A 41 -16.580 -11.679 -3.146 1.00 0.00 C ATOM 0 H VAL A 41 -13.833 -11.228 -2.313 1.00 0.00 H new ATOM 0 HA VAL A 41 -14.671 -12.679 -4.673 1.00 0.00 H new ATOM 0 HB VAL A 41 -15.327 -9.952 -3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -17.221 -9.894 -5.103 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -15.657 -9.897 -5.953 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -16.622 -11.390 -5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -17.471 -11.089 -2.931 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -16.866 -12.589 -3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -16.085 -11.942 -2.211 1.00 0.00 H new ATOM 420 N GLN A 42 -12.761 -10.012 -5.037 1.00 0.00 N ATOM 421 CA GLN A 42 -11.915 -9.302 -6.043 1.00 0.00 C ATOM 422 C GLN A 42 -10.577 -10.033 -6.184 1.00 0.00 C ATOM 423 O GLN A 42 -10.076 -10.618 -5.244 1.00 0.00 O ATOM 424 CB GLN A 42 -11.662 -7.864 -5.585 1.00 0.00 C ATOM 425 CG GLN A 42 -12.994 -7.125 -5.439 1.00 0.00 C ATOM 426 CD GLN A 42 -12.730 -5.688 -4.982 1.00 0.00 C ATOM 427 OE1 GLN A 42 -11.717 -5.108 -5.319 1.00 0.00 O ATOM 428 NE2 GLN A 42 -13.600 -5.088 -4.217 1.00 0.00 N ATOM 0 H GLN A 42 -12.682 -9.664 -4.082 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.431 -9.288 -7.003 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.129 -7.864 -4.634 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.027 -7.349 -6.306 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.528 -7.124 -6.389 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.630 -7.637 -4.717 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -14.451 -5.574 -3.934 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.429 -4.133 -3.902 1.00 0.00 H new ATOM 437 N GLY A 43 -9.998 -10.003 -7.353 1.00 0.00 N ATOM 438 CA GLY A 43 -8.692 -10.693 -7.564 1.00 0.00 C ATOM 439 C GLY A 43 -7.551 -9.744 -7.195 1.00 0.00 C ATOM 440 O GLY A 43 -6.743 -9.374 -8.024 1.00 0.00 O ATOM 0 H GLY A 43 -10.374 -9.529 -8.174 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.642 -11.595 -6.954 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.597 -11.006 -8.604 1.00 0.00 H new ATOM 444 N TRP A 44 -7.480 -9.349 -5.955 1.00 0.00 N ATOM 445 CA TRP A 44 -6.394 -8.420 -5.524 1.00 0.00 C ATOM 446 C TRP A 44 -5.033 -9.054 -5.822 1.00 0.00 C ATOM 447 O TRP A 44 -4.888 -10.260 -5.841 1.00 0.00 O ATOM 448 CB TRP A 44 -6.494 -8.172 -4.013 1.00 0.00 C ATOM 449 CG TRP A 44 -7.581 -7.189 -3.714 1.00 0.00 C ATOM 450 CD1 TRP A 44 -8.670 -6.962 -4.482 1.00 0.00 C ATOM 451 CD2 TRP A 44 -7.692 -6.299 -2.569 1.00 0.00 C ATOM 452 NE1 TRP A 44 -9.448 -5.989 -3.876 1.00 0.00 N ATOM 453 CE2 TRP A 44 -8.885 -5.549 -2.692 1.00 0.00 C ATOM 454 CE3 TRP A 44 -6.880 -6.072 -1.444 1.00 0.00 C ATOM 455 CZ2 TRP A 44 -9.256 -4.608 -1.730 1.00 0.00 C ATOM 456 CZ3 TRP A 44 -7.248 -5.129 -0.477 1.00 0.00 C ATOM 457 CH2 TRP A 44 -8.435 -4.397 -0.619 1.00 0.00 C ATOM 0 H TRP A 44 -8.128 -9.629 -5.218 1.00 0.00 H new ATOM 0 HA TRP A 44 -6.498 -7.479 -6.063 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -6.693 -9.111 -3.497 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.542 -7.797 -3.636 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.896 -7.458 -5.415 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -10.328 -5.640 -4.256 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.963 -6.631 -1.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -10.172 -4.047 -1.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.615 -4.965 0.382 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -8.715 -3.671 0.130 1.00 0.00 H new ATOM 468 N THR A 45 -4.029 -8.246 -6.026 1.00 0.00 N ATOM 469 CA THR A 45 -2.671 -8.794 -6.290 1.00 0.00 C ATOM 470 C THR A 45 -2.070 -9.238 -4.953 1.00 0.00 C ATOM 471 O THR A 45 -1.950 -8.455 -4.028 1.00 0.00 O ATOM 472 CB THR A 45 -1.802 -7.702 -6.932 1.00 0.00 C ATOM 473 OG1 THR A 45 -2.159 -7.566 -8.300 1.00 0.00 O ATOM 474 CG2 THR A 45 -0.310 -8.056 -6.825 1.00 0.00 C ATOM 0 H THR A 45 -4.092 -7.228 -6.021 1.00 0.00 H new ATOM 0 HA THR A 45 -2.720 -9.644 -6.971 1.00 0.00 H new ATOM 0 HB THR A 45 -1.972 -6.764 -6.404 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.608 -6.869 -8.714 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.285 -7.268 -7.287 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.033 -8.152 -5.775 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.122 -9.000 -7.337 1.00 0.00 H new ATOM 482 N LYS A 46 -1.706 -10.493 -4.845 1.00 0.00 N ATOM 483 CA LYS A 46 -1.130 -11.014 -3.565 1.00 0.00 C ATOM 484 C LYS A 46 0.166 -11.772 -3.848 1.00 0.00 C ATOM 485 O LYS A 46 0.322 -12.391 -4.881 1.00 0.00 O ATOM 486 CB LYS A 46 -2.128 -11.987 -2.931 1.00 0.00 C ATOM 487 CG LYS A 46 -3.418 -11.247 -2.585 1.00 0.00 C ATOM 488 CD LYS A 46 -4.535 -12.257 -2.291 1.00 0.00 C ATOM 489 CE LYS A 46 -4.151 -13.135 -1.097 1.00 0.00 C ATOM 490 NZ LYS A 46 -3.596 -12.285 -0.006 1.00 0.00 N ATOM 0 H LYS A 46 -1.784 -11.183 -5.593 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.929 -10.177 -2.896 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.340 -12.805 -3.619 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.699 -12.429 -2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.258 -10.605 -1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.709 -10.599 -3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.466 -11.730 -2.080 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.713 -12.880 -3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.024 -13.680 -0.738 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.415 -13.879 -1.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.652 -12.798 0.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.603 -12.058 -0.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.145 -11.405 0.062 1.00 0.00 H new ATOM 504 N ARG A 47 1.087 -11.746 -2.918 1.00 0.00 N ATOM 505 CA ARG A 47 2.373 -12.486 -3.104 1.00 0.00 C ATOM 506 C ARG A 47 2.768 -13.129 -1.773 1.00 0.00 C ATOM 507 O ARG A 47 2.757 -12.494 -0.736 1.00 0.00 O ATOM 508 CB ARG A 47 3.480 -11.527 -3.559 1.00 0.00 C ATOM 509 CG ARG A 47 3.467 -10.259 -2.701 1.00 0.00 C ATOM 510 CD ARG A 47 4.625 -9.349 -3.124 1.00 0.00 C ATOM 511 NE ARG A 47 5.920 -10.026 -2.824 1.00 0.00 N ATOM 512 CZ ARG A 47 7.030 -9.577 -3.344 1.00 0.00 C ATOM 513 NH1 ARG A 47 7.014 -8.531 -4.125 1.00 0.00 N ATOM 514 NH2 ARG A 47 8.161 -10.174 -3.080 1.00 0.00 N ATOM 0 H ARG A 47 1.004 -11.243 -2.035 1.00 0.00 H new ATOM 0 HA ARG A 47 2.242 -13.252 -3.868 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.450 -12.017 -3.482 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.337 -11.267 -4.608 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.517 -9.737 -2.818 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.560 -10.519 -1.646 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.557 -9.125 -4.189 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.567 -8.398 -2.594 1.00 0.00 H new ATOM 0 HE ARG A 47 5.938 -10.841 -2.211 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.132 -8.062 -4.331 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.883 -8.183 -4.529 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.176 -10.990 -2.468 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.029 -9.824 -3.486 1.00 0.00 H new ATOM 678 N VAL A 58 2.155 -12.257 3.633 1.00 0.00 N ATOM 679 CA VAL A 58 1.358 -11.898 2.414 1.00 0.00 C ATOM 680 C VAL A 58 1.317 -10.377 2.250 1.00 0.00 C ATOM 681 O VAL A 58 1.195 -9.642 3.211 1.00 0.00 O ATOM 682 CB VAL A 58 -0.074 -12.413 2.573 1.00 0.00 C ATOM 683 CG1 VAL A 58 -0.075 -13.942 2.609 1.00 0.00 C ATOM 684 CG2 VAL A 58 -0.667 -11.872 3.876 1.00 0.00 C ATOM 0 HA VAL A 58 1.824 -12.350 1.539 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.674 -12.074 1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.097 -14.303 2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.345 -14.328 1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.527 -14.287 3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.687 -12.238 3.991 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.063 -12.210 4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.673 -10.782 3.848 1.00 0.00 H new ATOM 694 N GLU A 59 1.419 -9.901 1.033 1.00 0.00 N ATOM 695 CA GLU A 59 1.383 -8.422 0.780 1.00 0.00 C ATOM 696 C GLU A 59 0.381 -8.112 -0.336 1.00 0.00 C ATOM 697 O GLU A 59 0.133 -8.924 -1.208 1.00 0.00 O ATOM 698 CB GLU A 59 2.777 -7.936 0.365 1.00 0.00 C ATOM 699 CG GLU A 59 3.725 -7.983 1.568 1.00 0.00 C ATOM 700 CD GLU A 59 4.087 -9.435 1.889 1.00 0.00 C ATOM 701 OE1 GLU A 59 3.837 -10.287 1.052 1.00 0.00 O ATOM 702 OE2 GLU A 59 4.604 -9.670 2.969 1.00 0.00 O ATOM 0 H GLU A 59 1.526 -10.476 0.197 1.00 0.00 H new ATOM 0 HA GLU A 59 1.077 -7.910 1.692 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.165 -8.561 -0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.717 -6.919 -0.022 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.629 -7.413 1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.253 -7.517 2.433 1.00 0.00 H new ATOM 709 N TYR A 60 -0.200 -6.933 -0.304 1.00 0.00 N ATOM 710 CA TYR A 60 -1.202 -6.528 -1.340 1.00 0.00 C ATOM 711 C TYR A 60 -0.695 -5.277 -2.064 1.00 0.00 C ATOM 712 O TYR A 60 -0.101 -4.403 -1.464 1.00 0.00 O ATOM 713 CB TYR A 60 -2.520 -6.164 -0.657 1.00 0.00 C ATOM 714 CG TYR A 60 -3.085 -7.355 0.074 1.00 0.00 C ATOM 715 CD1 TYR A 60 -3.952 -8.233 -0.586 1.00 0.00 C ATOM 716 CD2 TYR A 60 -2.761 -7.569 1.418 1.00 0.00 C ATOM 717 CE1 TYR A 60 -4.492 -9.327 0.097 1.00 0.00 C ATOM 718 CE2 TYR A 60 -3.305 -8.662 2.103 1.00 0.00 C ATOM 719 CZ TYR A 60 -4.171 -9.540 1.441 1.00 0.00 C ATOM 720 OH TYR A 60 -4.710 -10.616 2.111 1.00 0.00 O ATOM 0 H TYR A 60 -0.018 -6.226 0.408 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.347 -7.351 -2.039 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.359 -5.344 0.043 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.236 -5.813 -1.400 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.204 -8.066 -1.623 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.092 -6.891 1.927 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.157 -10.008 -0.414 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.057 -8.828 3.141 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.992 -11.129 2.537 1.00 0.00 H new ATOM 730 N ASP A 61 -0.939 -5.168 -3.343 1.00 0.00 N ATOM 731 CA ASP A 61 -0.482 -3.951 -4.088 1.00 0.00 C ATOM 732 C ASP A 61 -1.596 -2.901 -4.056 1.00 0.00 C ATOM 733 O ASP A 61 -2.654 -3.093 -4.622 1.00 0.00 O ATOM 734 CB ASP A 61 -0.177 -4.313 -5.542 1.00 0.00 C ATOM 735 CG ASP A 61 0.321 -3.070 -6.283 1.00 0.00 C ATOM 736 OD1 ASP A 61 0.216 -1.991 -5.725 1.00 0.00 O ATOM 737 OD2 ASP A 61 0.798 -3.221 -7.396 1.00 0.00 O ATOM 0 H ASP A 61 -1.432 -5.863 -3.904 1.00 0.00 H new ATOM 0 HA ASP A 61 0.420 -3.558 -3.619 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.577 -5.100 -5.582 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.072 -4.704 -6.026 1.00 0.00 H new ATOM 742 N VAL A 62 -1.373 -1.791 -3.402 1.00 0.00 N ATOM 743 CA VAL A 62 -2.422 -0.733 -3.338 1.00 0.00 C ATOM 744 C VAL A 62 -2.695 -0.183 -4.740 1.00 0.00 C ATOM 745 O VAL A 62 -3.792 0.238 -5.047 1.00 0.00 O ATOM 746 CB VAL A 62 -1.950 0.405 -2.425 1.00 0.00 C ATOM 747 CG1 VAL A 62 -2.964 1.551 -2.468 1.00 0.00 C ATOM 748 CG2 VAL A 62 -1.824 -0.112 -0.988 1.00 0.00 C ATOM 0 H VAL A 62 -0.507 -1.572 -2.909 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.339 -1.165 -2.938 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.981 0.766 -2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.627 2.359 -1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.053 1.920 -3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.934 1.191 -2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.488 0.697 -0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.793 -0.474 -0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.100 -0.927 -0.957 1.00 0.00 H new ATOM 758 N MET A 63 -1.702 -0.160 -5.585 1.00 0.00 N ATOM 759 CA MET A 63 -1.905 0.388 -6.956 1.00 0.00 C ATOM 760 C MET A 63 -2.745 -0.584 -7.786 1.00 0.00 C ATOM 761 O MET A 63 -2.982 -0.365 -8.957 1.00 0.00 O ATOM 762 CB MET A 63 -0.546 0.592 -7.632 1.00 0.00 C ATOM 763 CG MET A 63 0.195 1.743 -6.948 1.00 0.00 C ATOM 764 SD MET A 63 1.684 2.158 -7.895 1.00 0.00 S ATOM 765 CE MET A 63 0.879 2.890 -9.348 1.00 0.00 C ATOM 0 H MET A 63 -0.760 -0.496 -5.386 1.00 0.00 H new ATOM 0 HA MET A 63 -2.426 1.343 -6.886 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.044 -0.322 -7.570 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.684 0.812 -8.691 1.00 0.00 H new ATOM 0 HG2 MET A 63 -0.456 2.614 -6.874 1.00 0.00 H new ATOM 0 HG3 MET A 63 0.466 1.460 -5.931 1.00 0.00 H new ATOM 0 HE1 MET A 63 1.331 3.858 -9.566 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.006 2.229 -10.206 1.00 0.00 H new ATOM 0 HE3 MET A 63 -0.184 3.023 -9.147 1.00 0.00 H new ATOM 775 N SER A 64 -3.208 -1.655 -7.189 1.00 0.00 N ATOM 776 CA SER A 64 -4.043 -2.640 -7.946 1.00 0.00 C ATOM 777 C SER A 64 -5.520 -2.416 -7.607 1.00 0.00 C ATOM 778 O SER A 64 -6.402 -2.810 -8.345 1.00 0.00 O ATOM 779 CB SER A 64 -3.643 -4.059 -7.538 1.00 0.00 C ATOM 780 OG SER A 64 -4.432 -4.996 -8.261 1.00 0.00 O ATOM 0 H SER A 64 -3.044 -1.890 -6.210 1.00 0.00 H new ATOM 0 HA SER A 64 -3.887 -2.507 -9.017 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.585 -4.224 -7.741 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.787 -4.196 -6.466 1.00 0.00 H new ATOM 0 HG SER A 64 -4.177 -5.906 -8.003 1.00 0.00 H new ATOM 786 N MET A 65 -5.799 -1.775 -6.502 1.00 0.00 N ATOM 787 CA MET A 65 -7.220 -1.512 -6.122 1.00 0.00 C ATOM 788 C MET A 65 -7.745 -0.290 -6.901 1.00 0.00 C ATOM 789 O MET A 65 -6.989 0.603 -7.226 1.00 0.00 O ATOM 790 CB MET A 65 -7.304 -1.240 -4.619 1.00 0.00 C ATOM 791 CG MET A 65 -7.083 -2.545 -3.849 1.00 0.00 C ATOM 792 SD MET A 65 -5.381 -3.119 -4.110 1.00 0.00 S ATOM 793 CE MET A 65 -4.862 -3.190 -2.376 1.00 0.00 C ATOM 0 H MET A 65 -5.103 -1.422 -5.845 1.00 0.00 H new ATOM 0 HA MET A 65 -7.829 -2.383 -6.366 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.554 -0.504 -4.330 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.278 -0.819 -4.369 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.267 -2.388 -2.786 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.790 -3.303 -4.186 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.792 -2.996 -2.308 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.404 -2.438 -1.803 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.078 -4.179 -1.972 1.00 0.00 H new ATOM 803 N PRO A 66 -9.027 -0.238 -7.193 1.00 0.00 N ATOM 804 CA PRO A 66 -9.632 0.909 -7.934 1.00 0.00 C ATOM 805 C PRO A 66 -9.044 2.262 -7.503 1.00 0.00 C ATOM 806 O PRO A 66 -8.491 2.394 -6.429 1.00 0.00 O ATOM 807 CB PRO A 66 -11.118 0.824 -7.562 1.00 0.00 C ATOM 808 CG PRO A 66 -11.377 -0.633 -7.304 1.00 0.00 C ATOM 809 CD PRO A 66 -10.041 -1.258 -6.858 1.00 0.00 C ATOM 0 HA PRO A 66 -9.442 0.849 -9.006 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.338 1.425 -6.680 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.748 1.199 -8.369 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.137 -0.759 -6.533 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.751 -1.123 -8.203 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.043 -1.480 -5.791 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.848 -2.196 -7.379 1.00 0.00 H new ATOM 817 N THR A 67 -9.157 3.267 -8.333 1.00 0.00 N ATOM 818 CA THR A 67 -8.606 4.608 -7.977 1.00 0.00 C ATOM 819 C THR A 67 -9.275 5.149 -6.709 1.00 0.00 C ATOM 820 O THR A 67 -8.635 5.759 -5.875 1.00 0.00 O ATOM 821 CB THR A 67 -8.863 5.582 -9.128 1.00 0.00 C ATOM 822 OG1 THR A 67 -8.228 5.102 -10.306 1.00 0.00 O ATOM 823 CG2 THR A 67 -8.308 6.961 -8.767 1.00 0.00 C ATOM 0 H THR A 67 -9.609 3.216 -9.246 1.00 0.00 H new ATOM 0 HA THR A 67 -7.536 4.507 -7.797 1.00 0.00 H new ATOM 0 HB THR A 67 -9.936 5.662 -9.304 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.394 5.725 -11.044 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.492 7.654 -9.588 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.801 7.327 -7.866 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.235 6.886 -8.589 1.00 0.00 H new ATOM 831 N LYS A 68 -10.559 4.962 -6.566 1.00 0.00 N ATOM 832 CA LYS A 68 -11.255 5.500 -5.362 1.00 0.00 C ATOM 833 C LYS A 68 -10.619 4.916 -4.097 1.00 0.00 C ATOM 834 O LYS A 68 -10.256 5.638 -3.190 1.00 0.00 O ATOM 835 CB LYS A 68 -12.745 5.131 -5.435 1.00 0.00 C ATOM 836 CG LYS A 68 -13.544 5.836 -4.308 1.00 0.00 C ATOM 837 CD LYS A 68 -13.755 4.884 -3.124 1.00 0.00 C ATOM 838 CE LYS A 68 -14.546 5.601 -2.030 1.00 0.00 C ATOM 839 NZ LYS A 68 -14.731 4.682 -0.872 1.00 0.00 N ATOM 0 H LYS A 68 -11.154 4.463 -7.227 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.158 6.585 -5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.148 5.418 -6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.861 4.051 -5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.009 6.726 -3.976 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.509 6.169 -4.691 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.291 3.993 -3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.793 4.552 -2.734 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.018 6.501 -1.714 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.515 5.919 -2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.269 5.167 -0.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.252 3.836 -1.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.801 4.400 -0.501 1.00 0.00 H new ATOM 853 N GLU A 69 -10.456 3.623 -4.031 1.00 0.00 N ATOM 854 CA GLU A 69 -9.814 3.021 -2.825 1.00 0.00 C ATOM 855 C GLU A 69 -8.366 3.511 -2.742 1.00 0.00 C ATOM 856 O GLU A 69 -7.841 3.751 -1.673 1.00 0.00 O ATOM 857 CB GLU A 69 -9.847 1.488 -2.915 1.00 0.00 C ATOM 858 CG GLU A 69 -11.215 0.966 -2.457 1.00 0.00 C ATOM 859 CD GLU A 69 -12.318 1.579 -3.322 1.00 0.00 C ATOM 860 OE1 GLU A 69 -12.061 1.828 -4.487 1.00 0.00 O ATOM 861 OE2 GLU A 69 -13.401 1.792 -2.802 1.00 0.00 O ATOM 0 H GLU A 69 -10.737 2.960 -4.754 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.358 3.324 -1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.652 1.171 -3.940 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.059 1.062 -2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.243 -0.121 -2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.379 1.218 -1.409 1.00 0.00 H new ATOM 868 N ARG A 70 -7.716 3.655 -3.864 1.00 0.00 N ATOM 869 CA ARG A 70 -6.302 4.123 -3.854 1.00 0.00 C ATOM 870 C ARG A 70 -6.228 5.499 -3.180 1.00 0.00 C ATOM 871 O ARG A 70 -5.359 5.758 -2.372 1.00 0.00 O ATOM 872 CB ARG A 70 -5.803 4.238 -5.297 1.00 0.00 C ATOM 873 CG ARG A 70 -4.307 4.554 -5.306 1.00 0.00 C ATOM 874 CD ARG A 70 -3.824 4.690 -6.752 1.00 0.00 C ATOM 875 NE ARG A 70 -4.023 3.403 -7.475 1.00 0.00 N ATOM 876 CZ ARG A 70 -3.995 3.378 -8.780 1.00 0.00 C ATOM 877 NH1 ARG A 70 -3.805 4.483 -9.449 1.00 0.00 N ATOM 878 NH2 ARG A 70 -4.163 2.253 -9.417 1.00 0.00 N ATOM 0 H ARG A 70 -8.104 3.468 -4.789 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.682 3.414 -3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.990 3.306 -5.831 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.352 5.021 -5.820 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.116 5.477 -4.759 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.754 3.763 -4.799 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.371 5.488 -7.254 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.770 4.967 -6.768 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.181 2.542 -6.951 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.679 5.365 -8.952 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.783 4.465 -10.469 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.317 1.390 -8.896 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.141 2.236 -10.437 1.00 0.00 H new ATOM 892 N GLU A 71 -7.138 6.380 -3.503 1.00 0.00 N ATOM 893 CA GLU A 71 -7.127 7.734 -2.874 1.00 0.00 C ATOM 894 C GLU A 71 -7.338 7.610 -1.364 1.00 0.00 C ATOM 895 O GLU A 71 -6.734 8.316 -0.581 1.00 0.00 O ATOM 896 CB GLU A 71 -8.251 8.587 -3.469 1.00 0.00 C ATOM 897 CG GLU A 71 -7.922 8.940 -4.919 1.00 0.00 C ATOM 898 CD GLU A 71 -9.064 9.771 -5.510 1.00 0.00 C ATOM 899 OE1 GLU A 71 -10.023 9.177 -5.972 1.00 0.00 O ATOM 900 OE2 GLU A 71 -8.960 10.986 -5.486 1.00 0.00 O ATOM 0 H GLU A 71 -7.888 6.221 -4.175 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.164 8.206 -3.068 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.195 8.044 -3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.378 9.498 -2.883 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.988 9.500 -4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.779 8.031 -5.503 1.00 0.00 H new ATOM 907 N GLN A 72 -8.210 6.729 -0.950 1.00 0.00 N ATOM 908 CA GLN A 72 -8.483 6.575 0.505 1.00 0.00 C ATOM 909 C GLN A 72 -7.233 6.070 1.231 1.00 0.00 C ATOM 910 O GLN A 72 -6.929 6.504 2.325 1.00 0.00 O ATOM 911 CB GLN A 72 -9.631 5.580 0.701 1.00 0.00 C ATOM 912 CG GLN A 72 -10.940 6.206 0.211 1.00 0.00 C ATOM 913 CD GLN A 72 -11.363 7.329 1.161 1.00 0.00 C ATOM 914 OE1 GLN A 72 -11.234 7.207 2.363 1.00 0.00 O ATOM 915 NE2 GLN A 72 -11.874 8.426 0.670 1.00 0.00 N ATOM 0 H GLN A 72 -8.745 6.110 -1.559 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.760 7.544 0.920 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.427 4.661 0.152 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.716 5.310 1.754 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.811 6.599 -0.797 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.720 5.447 0.160 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.983 8.531 -0.339 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.164 9.178 1.295 1.00 0.00 H new ATOM 924 N VAL A 73 -6.507 5.158 0.643 1.00 0.00 N ATOM 925 CA VAL A 73 -5.286 4.642 1.327 1.00 0.00 C ATOM 926 C VAL A 73 -4.239 5.760 1.374 1.00 0.00 C ATOM 927 O VAL A 73 -3.612 5.993 2.388 1.00 0.00 O ATOM 928 CB VAL A 73 -4.735 3.442 0.550 1.00 0.00 C ATOM 929 CG1 VAL A 73 -3.390 3.012 1.144 1.00 0.00 C ATOM 930 CG2 VAL A 73 -5.726 2.279 0.643 1.00 0.00 C ATOM 0 H VAL A 73 -6.703 4.751 -0.272 1.00 0.00 H new ATOM 0 HA VAL A 73 -5.529 4.325 2.341 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.594 3.723 -0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.003 2.158 0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.683 3.839 1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.526 2.733 2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.336 1.424 0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.866 2.003 1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.682 2.581 0.216 1.00 0.00 H new ATOM 940 N ILE A 74 -4.062 6.464 0.291 1.00 0.00 N ATOM 941 CA ILE A 74 -3.074 7.581 0.281 1.00 0.00 C ATOM 942 C ILE A 74 -3.464 8.618 1.332 1.00 0.00 C ATOM 943 O ILE A 74 -2.623 9.163 2.020 1.00 0.00 O ATOM 944 CB ILE A 74 -3.012 8.221 -1.110 1.00 0.00 C ATOM 945 CG1 ILE A 74 -2.355 7.231 -2.075 1.00 0.00 C ATOM 946 CG2 ILE A 74 -2.192 9.516 -1.054 1.00 0.00 C ATOM 947 CD1 ILE A 74 -2.472 7.746 -3.507 1.00 0.00 C ATOM 0 H ILE A 74 -4.558 6.315 -0.588 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.085 7.189 0.521 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.019 8.461 -1.452 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.306 7.096 -1.813 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.833 6.255 -1.990 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.153 9.965 -2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.660 10.213 -0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.180 9.292 -0.717 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.002 7.037 -4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.524 7.858 -3.769 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.973 8.712 -3.588 1.00 0.00 H new ATOM 959 N ALA A 75 -4.729 8.898 1.466 1.00 0.00 N ATOM 960 CA ALA A 75 -5.155 9.903 2.475 1.00 0.00 C ATOM 961 C ALA A 75 -4.603 9.488 3.839 1.00 0.00 C ATOM 962 O ALA A 75 -4.146 10.307 4.612 1.00 0.00 O ATOM 963 CB ALA A 75 -6.684 9.955 2.532 1.00 0.00 C ATOM 0 H ALA A 75 -5.483 8.476 0.923 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.776 10.889 2.205 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.996 10.692 3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.075 10.235 1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.071 8.975 2.811 1.00 0.00 H new ATOM 969 N HIS A 76 -4.629 8.218 4.136 1.00 0.00 N ATOM 970 CA HIS A 76 -4.091 7.751 5.443 1.00 0.00 C ATOM 971 C HIS A 76 -2.581 8.021 5.490 1.00 0.00 C ATOM 972 O HIS A 76 -2.041 8.413 6.504 1.00 0.00 O ATOM 973 CB HIS A 76 -4.348 6.252 5.607 1.00 0.00 C ATOM 974 CG HIS A 76 -3.934 5.827 6.991 1.00 0.00 C ATOM 975 ND1 HIS A 76 -4.842 5.729 8.035 1.00 0.00 N ATOM 976 CD2 HIS A 76 -2.716 5.483 7.522 1.00 0.00 C ATOM 977 CE1 HIS A 76 -4.161 5.340 9.130 1.00 0.00 C ATOM 978 NE2 HIS A 76 -2.861 5.177 8.872 1.00 0.00 N ATOM 0 H HIS A 76 -4.999 7.485 3.531 1.00 0.00 H new ATOM 0 HA HIS A 76 -4.588 8.287 6.252 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.403 6.032 5.447 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -3.788 5.691 4.859 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -1.785 5.454 6.975 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -4.611 5.180 10.098 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -2.131 4.890 9.524 1.00 0.00 H new ATOM 986 N LEU A 77 -1.894 7.808 4.398 1.00 0.00 N ATOM 987 CA LEU A 77 -0.418 8.045 4.384 1.00 0.00 C ATOM 988 C LEU A 77 -0.119 9.511 4.718 1.00 0.00 C ATOM 989 O LEU A 77 0.831 9.819 5.409 1.00 0.00 O ATOM 990 CB LEU A 77 0.143 7.755 2.986 1.00 0.00 C ATOM 991 CG LEU A 77 -0.099 6.291 2.592 1.00 0.00 C ATOM 992 CD1 LEU A 77 0.443 6.053 1.172 1.00 0.00 C ATOM 993 CD2 LEU A 77 0.614 5.355 3.587 1.00 0.00 C ATOM 0 H LEU A 77 -2.289 7.481 3.516 1.00 0.00 H new ATOM 0 HA LEU A 77 0.042 7.388 5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.327 8.415 2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.212 7.969 2.967 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.168 6.081 2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.274 5.015 0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.072 6.710 0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.512 6.265 1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.438 4.318 3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.685 5.558 3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.224 5.526 4.591 1.00 0.00 H new