USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 606 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 28 MET CE :methyl 164:sc= -0.32 (180deg=0) USER MOD Set 1.2: A 70 HIS : no HD1:sc= -0.547 K(o=-0.87,f=-1.5) USER MOD Set 2.1: A 11 ASN : amide:sc= -4.49! C(o=-9.3!,f=-18!) USER MOD Set 2.2: A 17 CYS SG : rot 180:sc= -4.8! USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= -0.0114 (180deg=-0.256) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -3:sc= 1.13 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 45:sc= 0.353 USER MOD Single : A 35 CYS SG : rot -35:sc= 0.0224 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 180:sc= -0.432 USER MOD Single : A 56 ASN : amide:sc= -5.53! K(o=-5.5!,f=-2.1) USER MOD Single : A 57 ASN : amide:sc= -0.32 K(o=-0.32,f=-2!) USER MOD Single : A 58 ASN : amide:sc= -5.93! K(o=-5.9!,f=-5.2) USER MOD Single : A 60 THR OG1 : rot 12:sc= 0.328! USER MOD Single : A 61 GLN : amide:sc= -0.69 K(o=-0.69,f=-2.5) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -168:sc= -5.92! (180deg=-6.16!) USER MOD Single : A 67 ASN : amide:sc= -5.57! C(o=-5.6!,f=-2.2!) USER MOD Single : A 69 THR OG1 : rot -66:sc= 0.156 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0235 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 12.890 -1.663 -3.445 1.00 0.00 N ATOM 21 CA GLU A 2 11.529 -1.660 -4.059 1.00 0.00 C ATOM 22 C GLU A 2 10.747 -2.875 -3.559 1.00 0.00 C ATOM 23 O GLU A 2 11.263 -3.973 -3.492 1.00 0.00 O ATOM 24 CB GLU A 2 11.653 -1.728 -5.583 1.00 0.00 C ATOM 25 CG GLU A 2 12.290 -0.439 -6.110 1.00 0.00 C ATOM 26 CD GLU A 2 12.088 -0.351 -7.624 1.00 0.00 C ATOM 27 OE1 GLU A 2 11.052 0.145 -8.036 1.00 0.00 O ATOM 28 OE2 GLU A 2 12.972 -0.780 -8.346 1.00 0.00 O ATOM 0 HA GLU A 2 11.006 -0.746 -3.779 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.259 -2.587 -5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.669 -1.868 -6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 2 11.842 0.426 -5.622 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.354 -0.423 -5.873 1.00 0.00 H new ATOM 35 N TRP A 3 9.501 -2.689 -3.210 1.00 0.00 N ATOM 36 CA TRP A 3 8.675 -3.832 -2.714 1.00 0.00 C ATOM 37 C TRP A 3 7.838 -4.387 -3.867 1.00 0.00 C ATOM 38 O TRP A 3 7.626 -3.725 -4.863 1.00 0.00 O ATOM 39 CB TRP A 3 7.742 -3.341 -1.604 1.00 0.00 C ATOM 40 CG TRP A 3 8.556 -2.864 -0.444 1.00 0.00 C ATOM 41 CD1 TRP A 3 9.187 -1.669 -0.377 1.00 0.00 C ATOM 42 CD2 TRP A 3 8.836 -3.546 0.813 1.00 0.00 C ATOM 43 NE1 TRP A 3 9.836 -1.575 0.841 1.00 0.00 N ATOM 44 CE2 TRP A 3 9.650 -2.706 1.609 1.00 0.00 C ATOM 45 CE3 TRP A 3 8.466 -4.800 1.334 1.00 0.00 C ATOM 46 CZ2 TRP A 3 10.082 -3.096 2.877 1.00 0.00 C ATOM 47 CZ3 TRP A 3 8.899 -5.195 2.610 1.00 0.00 C ATOM 48 CH2 TRP A 3 9.705 -4.345 3.380 1.00 0.00 C ATOM 0 H TRP A 3 9.017 -1.792 -3.247 1.00 0.00 H new ATOM 0 HA TRP A 3 9.328 -4.613 -2.324 1.00 0.00 H new ATOM 0 HB2 TRP A 3 7.111 -2.534 -1.975 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.078 -4.146 -1.290 1.00 0.00 H new ATOM 0 HD1 TRP A 3 9.184 -0.913 -1.148 1.00 0.00 H new ATOM 0 HE1 TRP A 3 10.385 -0.768 1.136 1.00 0.00 H new ATOM 0 HE3 TRP A 3 7.845 -5.462 0.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 10.703 -2.438 3.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 8.609 -6.159 3.000 1.00 0.00 H new ATOM 0 HH2 TRP A 3 10.034 -4.655 4.361 1.00 0.00 H new ATOM 59 N TRP A 4 7.363 -5.602 -3.736 1.00 0.00 N ATOM 60 CA TRP A 4 6.534 -6.227 -4.818 1.00 0.00 C ATOM 61 C TRP A 4 5.147 -6.547 -4.263 1.00 0.00 C ATOM 62 O TRP A 4 5.005 -7.298 -3.318 1.00 0.00 O ATOM 63 CB TRP A 4 7.203 -7.521 -5.285 1.00 0.00 C ATOM 64 CG TRP A 4 8.437 -7.193 -6.063 1.00 0.00 C ATOM 65 CD1 TRP A 4 8.471 -6.936 -7.391 1.00 0.00 C ATOM 66 CD2 TRP A 4 9.810 -7.083 -5.589 1.00 0.00 C ATOM 67 NE1 TRP A 4 9.778 -6.674 -7.762 1.00 0.00 N ATOM 68 CE2 TRP A 4 10.640 -6.753 -6.687 1.00 0.00 C ATOM 69 CE3 TRP A 4 10.411 -7.236 -4.326 1.00 0.00 C ATOM 70 CZ2 TRP A 4 12.017 -6.581 -6.536 1.00 0.00 C ATOM 71 CZ3 TRP A 4 11.796 -7.063 -4.171 1.00 0.00 C ATOM 72 CH2 TRP A 4 12.597 -6.736 -5.274 1.00 0.00 C ATOM 0 H TRP A 4 7.515 -6.194 -2.919 1.00 0.00 H new ATOM 0 HA TRP A 4 6.445 -5.539 -5.658 1.00 0.00 H new ATOM 0 HB2 TRP A 4 7.456 -8.142 -4.426 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.514 -8.097 -5.902 1.00 0.00 H new ATOM 0 HD1 TRP A 4 7.618 -6.935 -8.053 1.00 0.00 H new ATOM 0 HE1 TRP A 4 10.069 -6.450 -8.714 1.00 0.00 H new ATOM 0 HE3 TRP A 4 9.803 -7.488 -3.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 12.630 -6.330 -7.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 12.246 -7.183 -3.197 1.00 0.00 H new ATOM 0 HH2 TRP A 4 13.662 -6.604 -5.149 1.00 0.00 H new ATOM 83 N VAL A 5 4.119 -5.985 -4.840 1.00 0.00 N ATOM 84 CA VAL A 5 2.746 -6.262 -4.334 1.00 0.00 C ATOM 85 C VAL A 5 2.318 -7.673 -4.749 1.00 0.00 C ATOM 86 O VAL A 5 2.516 -8.087 -5.875 1.00 0.00 O ATOM 87 CB VAL A 5 1.769 -5.240 -4.918 1.00 0.00 C ATOM 88 CG1 VAL A 5 2.138 -3.841 -4.423 1.00 0.00 C ATOM 89 CG2 VAL A 5 1.847 -5.274 -6.446 1.00 0.00 C ATOM 0 H VAL A 5 4.171 -5.349 -5.636 1.00 0.00 H new ATOM 0 HA VAL A 5 2.742 -6.189 -3.246 1.00 0.00 H new ATOM 0 HB VAL A 5 0.756 -5.484 -4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.442 -3.113 -4.839 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.084 -3.814 -3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.151 -3.598 -4.742 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.151 -4.546 -6.862 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.861 -5.030 -6.764 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.585 -6.271 -6.802 1.00 0.00 H new ATOM 99 N LYS A 6 1.726 -8.413 -3.846 1.00 0.00 N ATOM 100 CA LYS A 6 1.271 -9.799 -4.175 1.00 0.00 C ATOM 101 C LYS A 6 -0.236 -9.780 -4.435 1.00 0.00 C ATOM 102 O LYS A 6 -0.751 -10.530 -5.239 1.00 0.00 O ATOM 103 CB LYS A 6 1.569 -10.725 -2.993 1.00 0.00 C ATOM 104 CG LYS A 6 1.245 -12.169 -3.381 1.00 0.00 C ATOM 105 CD LYS A 6 1.549 -13.095 -2.201 1.00 0.00 C ATOM 106 CE LYS A 6 1.119 -14.521 -2.547 1.00 0.00 C ATOM 107 NZ LYS A 6 -0.370 -14.606 -2.543 1.00 0.00 N ATOM 0 H LYS A 6 1.537 -8.115 -2.889 1.00 0.00 H new ATOM 0 HA LYS A 6 1.795 -10.159 -5.060 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.617 -10.641 -2.707 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.977 -10.429 -2.127 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.196 -12.254 -3.663 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.833 -12.464 -4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.614 -13.071 -1.971 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.023 -12.751 -1.310 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.507 -14.802 -3.526 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.536 -15.223 -1.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.661 -15.603 -2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.745 -14.092 -1.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.744 -14.183 -3.416 1.00 0.00 H new ATOM 121 N LYS A 7 -0.945 -8.918 -3.756 1.00 0.00 N ATOM 122 CA LYS A 7 -2.421 -8.831 -3.952 1.00 0.00 C ATOM 123 C LYS A 7 -2.880 -7.414 -3.599 1.00 0.00 C ATOM 124 O LYS A 7 -2.152 -6.653 -2.992 1.00 0.00 O ATOM 125 CB LYS A 7 -3.116 -9.841 -3.035 1.00 0.00 C ATOM 126 CG LYS A 7 -4.569 -10.029 -3.480 1.00 0.00 C ATOM 127 CD LYS A 7 -5.206 -11.158 -2.669 1.00 0.00 C ATOM 128 CE LYS A 7 -6.705 -11.221 -2.969 1.00 0.00 C ATOM 129 NZ LYS A 7 -7.305 -12.389 -2.263 1.00 0.00 N ATOM 0 H LYS A 7 -0.563 -8.267 -3.070 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.675 -9.055 -4.988 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.590 -10.795 -3.065 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.084 -9.492 -2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.127 -9.104 -3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.608 -10.264 -4.544 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.735 -12.109 -2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.044 -10.991 -1.604 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.190 -10.300 -2.647 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.868 -11.309 -4.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.324 -12.432 -2.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.849 -13.264 -2.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.161 -12.287 -1.238 1.00 0.00 H new ATOM 143 N VAL A 8 -4.075 -7.046 -3.973 1.00 0.00 N ATOM 144 CA VAL A 8 -4.557 -5.671 -3.652 1.00 0.00 C ATOM 145 C VAL A 8 -6.086 -5.626 -3.700 1.00 0.00 C ATOM 146 O VAL A 8 -6.724 -6.390 -4.398 1.00 0.00 O ATOM 147 CB VAL A 8 -3.981 -4.680 -4.670 1.00 0.00 C ATOM 148 CG1 VAL A 8 -4.250 -5.191 -6.086 1.00 0.00 C ATOM 149 CG2 VAL A 8 -4.638 -3.303 -4.488 1.00 0.00 C ATOM 0 H VAL A 8 -4.735 -7.633 -4.483 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.226 -5.400 -2.649 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.906 -4.587 -4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.841 -4.487 -6.811 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.776 -6.164 -6.218 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.325 -5.287 -6.240 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.224 -2.604 -5.214 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.714 -3.390 -4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.443 -2.937 -3.480 1.00 0.00 H new ATOM 159 N GLN A 9 -6.673 -4.720 -2.962 1.00 0.00 N ATOM 160 CA GLN A 9 -8.161 -4.589 -2.946 1.00 0.00 C ATOM 161 C GLN A 9 -8.526 -3.103 -2.950 1.00 0.00 C ATOM 162 O GLN A 9 -8.125 -2.355 -2.079 1.00 0.00 O ATOM 163 CB GLN A 9 -8.718 -5.249 -1.684 1.00 0.00 C ATOM 164 CG GLN A 9 -8.063 -6.618 -1.491 1.00 0.00 C ATOM 165 CD GLN A 9 -8.842 -7.414 -0.443 1.00 0.00 C ATOM 166 OE1 GLN A 9 -9.065 -6.942 0.655 1.00 0.00 O ATOM 167 NE2 GLN A 9 -9.269 -8.612 -0.735 1.00 0.00 N ATOM 0 H GLN A 9 -6.180 -4.058 -2.363 1.00 0.00 H new ATOM 0 HA GLN A 9 -8.586 -5.077 -3.823 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.527 -4.617 -0.816 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.799 -5.360 -1.766 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.045 -7.161 -2.436 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.027 -6.496 -1.174 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.083 -9.009 -1.656 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.789 -9.151 -0.043 1.00 0.00 H new ATOM 176 N ASP A 10 -9.274 -2.665 -3.924 1.00 0.00 N ATOM 177 CA ASP A 10 -9.652 -1.225 -3.983 1.00 0.00 C ATOM 178 C ASP A 10 -10.339 -0.818 -2.678 1.00 0.00 C ATOM 179 O ASP A 10 -10.628 -1.641 -1.832 1.00 0.00 O ATOM 180 CB ASP A 10 -10.607 -0.993 -5.155 1.00 0.00 C ATOM 181 CG ASP A 10 -11.764 -1.990 -5.078 1.00 0.00 C ATOM 182 OD1 ASP A 10 -11.646 -2.947 -4.331 1.00 0.00 O ATOM 183 OD2 ASP A 10 -12.749 -1.779 -5.767 1.00 0.00 O ATOM 0 H ASP A 10 -9.640 -3.242 -4.682 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.754 -0.624 -4.121 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.990 0.027 -5.129 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.075 -1.110 -6.099 1.00 0.00 H new ATOM 188 N ASN A 11 -10.599 0.449 -2.508 1.00 0.00 N ATOM 189 CA ASN A 11 -11.265 0.918 -1.261 1.00 0.00 C ATOM 190 C ASN A 11 -12.766 0.644 -1.352 1.00 0.00 C ATOM 191 O ASN A 11 -13.580 1.536 -1.215 1.00 0.00 O ATOM 192 CB ASN A 11 -11.030 2.422 -1.094 1.00 0.00 C ATOM 193 CG ASN A 11 -11.251 3.120 -2.436 1.00 0.00 C ATOM 194 OD1 ASN A 11 -10.674 2.737 -3.434 1.00 0.00 O ATOM 195 ND2 ASN A 11 -12.068 4.135 -2.504 1.00 0.00 N ATOM 0 H ASN A 11 -10.378 1.182 -3.182 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.850 0.387 -0.404 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.710 2.827 -0.344 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.016 2.606 -0.738 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.222 4.607 -3.395 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.553 4.457 -1.666 1.00 0.00 H new ATOM 202 N ALA A 12 -13.140 -0.584 -1.582 1.00 0.00 N ATOM 203 CA ALA A 12 -14.588 -0.914 -1.681 1.00 0.00 C ATOM 204 C ALA A 12 -15.294 -0.480 -0.396 1.00 0.00 C ATOM 205 O ALA A 12 -16.506 -0.462 -0.316 1.00 0.00 O ATOM 206 CB ALA A 12 -14.753 -2.421 -1.873 1.00 0.00 C ATOM 0 H ALA A 12 -12.505 -1.373 -1.706 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.027 -0.391 -2.531 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -15.813 -2.665 -1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.246 -2.729 -2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -14.318 -2.946 -1.023 1.00 0.00 H new ATOM 212 N SER A 13 -14.543 -0.128 0.612 1.00 0.00 N ATOM 213 CA SER A 13 -15.167 0.307 1.894 1.00 0.00 C ATOM 214 C SER A 13 -15.568 1.781 1.789 1.00 0.00 C ATOM 215 O SER A 13 -16.664 2.160 2.148 1.00 0.00 O ATOM 216 CB SER A 13 -14.158 0.133 3.031 1.00 0.00 C ATOM 217 OG SER A 13 -14.052 -1.247 3.356 1.00 0.00 O ATOM 0 H SER A 13 -13.523 -0.123 0.603 1.00 0.00 H new ATOM 0 HA SER A 13 -16.052 -0.297 2.095 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.185 0.524 2.733 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.476 0.701 3.905 1.00 0.00 H new ATOM 0 HG SER A 13 -13.405 -1.363 4.083 1.00 0.00 H new ATOM 223 N ALA A 14 -14.686 2.608 1.298 1.00 0.00 N ATOM 224 CA ALA A 14 -15.005 4.060 1.164 1.00 0.00 C ATOM 225 C ALA A 14 -13.757 4.800 0.671 1.00 0.00 C ATOM 226 O ALA A 14 -13.782 5.483 -0.332 1.00 0.00 O ATOM 227 CB ALA A 14 -15.436 4.619 2.528 1.00 0.00 C ATOM 0 H ALA A 14 -13.754 2.340 0.982 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.818 4.197 0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.669 5.679 2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -16.319 4.084 2.878 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.626 4.490 3.246 1.00 0.00 H new ATOM 233 N SER A 15 -12.665 4.665 1.375 1.00 0.00 N ATOM 234 CA SER A 15 -11.414 5.356 0.954 1.00 0.00 C ATOM 235 C SER A 15 -10.215 4.669 1.604 1.00 0.00 C ATOM 236 O SER A 15 -9.288 5.312 2.055 1.00 0.00 O ATOM 237 CB SER A 15 -11.465 6.819 1.397 1.00 0.00 C ATOM 238 OG SER A 15 -12.389 7.525 0.579 1.00 0.00 O ATOM 0 H SER A 15 -12.586 4.105 2.224 1.00 0.00 H new ATOM 0 HA SER A 15 -11.318 5.309 -0.131 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.764 6.884 2.443 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.475 7.269 1.320 1.00 0.00 H new ATOM 0 HG SER A 15 -12.742 6.924 -0.110 1.00 0.00 H new ATOM 244 N LEU A 16 -10.226 3.361 1.657 1.00 0.00 N ATOM 245 CA LEU A 16 -9.089 2.616 2.279 1.00 0.00 C ATOM 246 C LEU A 16 -8.780 1.372 1.446 1.00 0.00 C ATOM 247 O LEU A 16 -9.440 0.358 1.557 1.00 0.00 O ATOM 248 CB LEU A 16 -9.477 2.186 3.700 1.00 0.00 C ATOM 249 CG LEU A 16 -9.439 3.394 4.656 1.00 0.00 C ATOM 250 CD1 LEU A 16 -10.318 3.107 5.877 1.00 0.00 C ATOM 251 CD2 LEU A 16 -8.002 3.660 5.131 1.00 0.00 C ATOM 0 H LEU A 16 -10.977 2.774 1.294 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.211 3.261 2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.476 1.750 3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.793 1.414 4.052 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.808 4.270 4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.291 3.961 6.553 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.344 2.932 5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.945 2.223 6.394 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.994 4.516 5.805 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.624 2.782 5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.367 3.870 4.270 1.00 0.00 H new ATOM 263 N CYS A 17 -7.770 1.436 0.620 1.00 0.00 N ATOM 264 CA CYS A 17 -7.403 0.254 -0.212 1.00 0.00 C ATOM 265 C CYS A 17 -6.377 -0.575 0.557 1.00 0.00 C ATOM 266 O CYS A 17 -5.626 -0.052 1.349 1.00 0.00 O ATOM 267 CB CYS A 17 -6.791 0.728 -1.532 1.00 0.00 C ATOM 268 SG CYS A 17 -8.052 1.583 -2.509 1.00 0.00 S ATOM 0 H CYS A 17 -7.182 2.258 0.486 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.288 -0.345 -0.425 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.952 1.396 -1.337 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.399 -0.123 -2.089 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.532 1.988 -3.630 1.00 0.00 H new ATOM 274 N ARG A 18 -6.344 -1.866 0.341 1.00 0.00 N ATOM 275 CA ARG A 18 -5.362 -2.735 1.068 1.00 0.00 C ATOM 276 C ARG A 18 -4.354 -3.304 0.072 1.00 0.00 C ATOM 277 O ARG A 18 -4.681 -3.581 -1.064 1.00 0.00 O ATOM 278 CB ARG A 18 -6.110 -3.886 1.746 1.00 0.00 C ATOM 279 CG ARG A 18 -7.157 -3.318 2.707 1.00 0.00 C ATOM 280 CD ARG A 18 -7.867 -4.467 3.427 1.00 0.00 C ATOM 281 NE ARG A 18 -9.099 -3.952 4.088 1.00 0.00 N ATOM 282 CZ ARG A 18 -10.052 -4.776 4.425 1.00 0.00 C ATOM 283 NH1 ARG A 18 -9.928 -6.052 4.181 1.00 0.00 N ATOM 284 NH2 ARG A 18 -11.130 -4.325 5.005 1.00 0.00 N ATOM 0 H ARG A 18 -6.956 -2.359 -0.309 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.838 -2.145 1.820 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.592 -4.513 0.996 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.409 -4.520 2.289 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.680 -2.659 3.433 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.881 -2.716 2.158 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.124 -5.252 2.716 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.203 -4.912 4.168 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.197 -2.954 4.277 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.086 -6.405 3.727 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.673 -6.696 4.445 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.228 -3.328 5.195 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.875 -4.970 5.268 1.00 0.00 H new ATOM 298 N VAL A 19 -3.125 -3.481 0.490 1.00 0.00 N ATOM 299 CA VAL A 19 -2.088 -4.033 -0.437 1.00 0.00 C ATOM 300 C VAL A 19 -1.156 -4.975 0.322 1.00 0.00 C ATOM 301 O VAL A 19 -0.699 -4.674 1.407 1.00 0.00 O ATOM 302 CB VAL A 19 -1.259 -2.888 -1.032 1.00 0.00 C ATOM 303 CG1 VAL A 19 -2.190 -1.839 -1.639 1.00 0.00 C ATOM 304 CG2 VAL A 19 -0.407 -2.232 0.058 1.00 0.00 C ATOM 0 H VAL A 19 -2.795 -3.268 1.431 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.590 -4.579 -1.236 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.606 -3.293 -1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.597 -1.027 -2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.790 -2.297 -2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.847 -1.444 -0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.177 -1.421 -0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.057 -1.835 0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.266 -2.973 0.489 1.00 0.00 H new ATOM 314 N VAL A 20 -0.850 -6.104 -0.257 1.00 0.00 N ATOM 315 CA VAL A 20 0.081 -7.065 0.403 1.00 0.00 C ATOM 316 C VAL A 20 1.469 -6.880 -0.210 1.00 0.00 C ATOM 317 O VAL A 20 1.673 -7.128 -1.382 1.00 0.00 O ATOM 318 CB VAL A 20 -0.398 -8.498 0.162 1.00 0.00 C ATOM 319 CG1 VAL A 20 0.350 -9.450 1.098 1.00 0.00 C ATOM 320 CG2 VAL A 20 -1.900 -8.586 0.443 1.00 0.00 C ATOM 0 H VAL A 20 -1.207 -6.404 -1.164 1.00 0.00 H new ATOM 0 HA VAL A 20 0.112 -6.881 1.477 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.203 -8.777 -0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.009 -10.471 0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.420 -9.387 0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.154 -9.171 2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.243 -9.606 0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.093 -8.307 1.479 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.435 -7.907 -0.221 1.00 0.00 H new ATOM 330 N LEU A 21 2.424 -6.427 0.559 1.00 0.00 N ATOM 331 CA LEU A 21 3.795 -6.205 0.000 1.00 0.00 C ATOM 332 C LEU A 21 4.677 -7.425 0.269 1.00 0.00 C ATOM 333 O LEU A 21 4.828 -7.866 1.391 1.00 0.00 O ATOM 334 CB LEU A 21 4.421 -4.982 0.671 1.00 0.00 C ATOM 335 CG LEU A 21 3.409 -3.837 0.703 1.00 0.00 C ATOM 336 CD1 LEU A 21 4.083 -2.582 1.256 1.00 0.00 C ATOM 337 CD2 LEU A 21 2.897 -3.565 -0.718 1.00 0.00 C ATOM 0 H LEU A 21 2.317 -6.201 1.548 1.00 0.00 H new ATOM 0 HA LEU A 21 3.718 -6.046 -1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.734 -5.232 1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.315 -4.675 0.128 1.00 0.00 H new ATOM 0 HG LEU A 21 2.569 -4.109 1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.364 -1.763 1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.444 -2.778 2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.923 -2.308 0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.175 -2.748 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.734 -3.291 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.417 -4.462 -1.110 1.00 0.00 H new ATOM 349 N GLN A 22 5.267 -7.968 -0.767 1.00 0.00 N ATOM 350 CA GLN A 22 6.153 -9.160 -0.606 1.00 0.00 C ATOM 351 C GLN A 22 7.615 -8.712 -0.639 1.00 0.00 C ATOM 352 O GLN A 22 7.953 -7.710 -1.239 1.00 0.00 O ATOM 353 CB GLN A 22 5.898 -10.139 -1.755 1.00 0.00 C ATOM 354 CG GLN A 22 6.887 -11.303 -1.664 1.00 0.00 C ATOM 355 CD GLN A 22 6.429 -12.434 -2.586 1.00 0.00 C ATOM 356 OE1 GLN A 22 6.218 -13.546 -2.143 1.00 0.00 O ATOM 357 NE2 GLN A 22 6.266 -12.198 -3.859 1.00 0.00 N ATOM 0 H GLN A 22 5.171 -7.633 -1.725 1.00 0.00 H new ATOM 0 HA GLN A 22 5.941 -9.648 0.345 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.875 -10.513 -1.708 1.00 0.00 H new ATOM 0 HB3 GLN A 22 6.007 -9.629 -2.712 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.885 -10.969 -1.948 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.951 -11.660 -0.636 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.443 -11.265 -4.231 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.962 -12.946 -4.482 1.00 0.00 H new ATOM 366 N SER A 23 8.487 -9.446 0.002 1.00 0.00 N ATOM 367 CA SER A 23 9.933 -9.066 0.011 1.00 0.00 C ATOM 368 C SER A 23 10.795 -10.329 -0.020 1.00 0.00 C ATOM 369 O SER A 23 11.048 -10.946 0.996 1.00 0.00 O ATOM 370 CB SER A 23 10.240 -8.273 1.283 1.00 0.00 C ATOM 371 OG SER A 23 9.680 -8.946 2.402 1.00 0.00 O ATOM 0 H SER A 23 8.260 -10.294 0.521 1.00 0.00 H new ATOM 0 HA SER A 23 10.154 -8.455 -0.864 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.318 -8.168 1.409 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.829 -7.266 1.206 1.00 0.00 H new ATOM 0 HG SER A 23 9.881 -9.903 2.342 1.00 0.00 H new ATOM 377 N GLY A 24 11.250 -10.718 -1.180 1.00 0.00 N ATOM 378 CA GLY A 24 12.099 -11.940 -1.279 1.00 0.00 C ATOM 379 C GLY A 24 11.238 -13.184 -1.057 1.00 0.00 C ATOM 380 O GLY A 24 11.153 -14.051 -1.905 1.00 0.00 O ATOM 0 H GLY A 24 11.070 -10.242 -2.064 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.575 -11.985 -2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.897 -11.901 -0.538 1.00 0.00 H new ATOM 384 N ALA A 25 10.599 -13.280 0.076 1.00 0.00 N ATOM 385 CA ALA A 25 9.743 -14.470 0.352 1.00 0.00 C ATOM 386 C ALA A 25 8.731 -14.132 1.448 1.00 0.00 C ATOM 387 O ALA A 25 7.616 -14.615 1.446 1.00 0.00 O ATOM 388 CB ALA A 25 10.624 -15.634 0.813 1.00 0.00 C ATOM 0 H ALA A 25 10.632 -12.586 0.823 1.00 0.00 H new ATOM 0 HA ALA A 25 9.211 -14.752 -0.557 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.000 -16.505 1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.344 -15.877 0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.156 -15.350 1.721 1.00 0.00 H new ATOM 394 N LEU A 26 9.107 -13.304 2.384 1.00 0.00 N ATOM 395 CA LEU A 26 8.162 -12.935 3.475 1.00 0.00 C ATOM 396 C LEU A 26 6.987 -12.156 2.879 1.00 0.00 C ATOM 397 O LEU A 26 6.995 -11.799 1.717 1.00 0.00 O ATOM 398 CB LEU A 26 8.887 -12.062 4.510 1.00 0.00 C ATOM 399 CG LEU A 26 9.774 -12.930 5.421 1.00 0.00 C ATOM 400 CD1 LEU A 26 8.916 -13.794 6.366 1.00 0.00 C ATOM 401 CD2 LEU A 26 10.664 -13.834 4.559 1.00 0.00 C ATOM 0 H LEU A 26 10.027 -12.868 2.440 1.00 0.00 H new ATOM 0 HA LEU A 26 7.794 -13.838 3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.498 -11.316 4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.158 -11.520 5.112 1.00 0.00 H new ATOM 0 HG LEU A 26 10.395 -12.271 6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.567 -14.398 6.999 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.300 -13.148 6.991 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.273 -14.449 5.777 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.292 -14.448 5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.038 -14.478 3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.295 -13.219 3.918 1.00 0.00 H new ATOM 413 N GLU A 27 5.975 -11.890 3.666 1.00 0.00 N ATOM 414 CA GLU A 27 4.791 -11.134 3.153 1.00 0.00 C ATOM 415 C GLU A 27 4.323 -10.140 4.216 1.00 0.00 C ATOM 416 O GLU A 27 4.454 -10.376 5.401 1.00 0.00 O ATOM 417 CB GLU A 27 3.657 -12.114 2.836 1.00 0.00 C ATOM 418 CG GLU A 27 4.217 -13.315 2.073 1.00 0.00 C ATOM 419 CD GLU A 27 3.069 -14.224 1.635 1.00 0.00 C ATOM 420 OE1 GLU A 27 2.078 -14.279 2.345 1.00 0.00 O ATOM 421 OE2 GLU A 27 3.198 -14.850 0.595 1.00 0.00 O ATOM 0 H GLU A 27 5.918 -12.165 4.646 1.00 0.00 H new ATOM 0 HA GLU A 27 5.068 -10.595 2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.181 -12.446 3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.889 -11.618 2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.778 -12.976 1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.912 -13.868 2.705 1.00 0.00 H new ATOM 428 N MET A 28 3.776 -9.026 3.801 1.00 0.00 N ATOM 429 CA MET A 28 3.293 -8.003 4.778 1.00 0.00 C ATOM 430 C MET A 28 1.961 -7.433 4.291 1.00 0.00 C ATOM 431 O MET A 28 1.637 -7.510 3.125 1.00 0.00 O ATOM 432 CB MET A 28 4.322 -6.874 4.881 1.00 0.00 C ATOM 433 CG MET A 28 5.716 -7.468 5.087 1.00 0.00 C ATOM 434 SD MET A 28 6.913 -6.132 5.329 1.00 0.00 S ATOM 435 CE MET A 28 6.768 -6.023 7.130 1.00 0.00 C ATOM 0 H MET A 28 3.642 -8.779 2.820 1.00 0.00 H new ATOM 0 HA MET A 28 3.159 -8.464 5.757 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.304 -6.268 3.975 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.071 -6.214 5.711 1.00 0.00 H new ATOM 0 HG2 MET A 28 5.716 -8.131 5.952 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.997 -8.070 4.223 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.614 -5.465 7.530 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.841 -5.512 7.390 1.00 0.00 H new ATOM 0 HE3 MET A 28 6.761 -7.026 7.556 1.00 0.00 H new ATOM 445 N ILE A 29 1.191 -6.854 5.180 1.00 0.00 N ATOM 446 CA ILE A 29 -0.128 -6.260 4.790 1.00 0.00 C ATOM 447 C ILE A 29 -0.164 -4.819 5.291 1.00 0.00 C ATOM 448 O ILE A 29 0.310 -4.523 6.371 1.00 0.00 O ATOM 449 CB ILE A 29 -1.270 -7.061 5.430 1.00 0.00 C ATOM 450 CG1 ILE A 29 -1.379 -8.427 4.745 1.00 0.00 C ATOM 451 CG2 ILE A 29 -2.590 -6.300 5.262 1.00 0.00 C ATOM 452 CD1 ILE A 29 -2.347 -9.321 5.524 1.00 0.00 C ATOM 0 H ILE A 29 1.422 -6.766 6.170 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.249 -6.288 3.707 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.065 -7.199 6.492 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.728 -8.303 3.720 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.397 -8.897 4.693 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.399 -6.871 5.717 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.514 -5.327 5.748 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.797 -6.160 4.201 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.421 -10.291 5.033 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.979 -9.456 6.541 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.331 -8.853 5.553 1.00 0.00 H new ATOM 464 N ALA A 30 -0.701 -3.912 4.519 1.00 0.00 N ATOM 465 CA ALA A 30 -0.734 -2.491 4.971 1.00 0.00 C ATOM 466 C ALA A 30 -1.975 -1.781 4.435 1.00 0.00 C ATOM 467 O ALA A 30 -2.321 -1.893 3.276 1.00 0.00 O ATOM 468 CB ALA A 30 0.519 -1.784 4.454 1.00 0.00 C ATOM 0 H ALA A 30 -1.114 -4.091 3.604 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.766 -2.463 6.060 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.509 -0.743 4.777 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.406 -2.278 4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.537 -1.826 3.365 1.00 0.00 H new ATOM 474 N GLU A 31 -2.635 -1.030 5.276 1.00 0.00 N ATOM 475 CA GLU A 31 -3.842 -0.283 4.824 1.00 0.00 C ATOM 476 C GLU A 31 -3.373 0.981 4.097 1.00 0.00 C ATOM 477 O GLU A 31 -2.475 1.666 4.544 1.00 0.00 O ATOM 478 CB GLU A 31 -4.704 0.087 6.043 1.00 0.00 C ATOM 479 CG GLU A 31 -5.674 -1.056 6.366 1.00 0.00 C ATOM 480 CD GLU A 31 -6.486 -0.702 7.614 1.00 0.00 C ATOM 481 OE1 GLU A 31 -6.974 0.413 7.682 1.00 0.00 O ATOM 482 OE2 GLU A 31 -6.605 -1.554 8.479 1.00 0.00 O ATOM 0 H GLU A 31 -2.389 -0.902 6.258 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.444 -0.894 4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.065 0.287 6.903 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.261 1.002 5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.342 -1.229 5.522 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.121 -1.981 6.530 1.00 0.00 H new ATOM 489 N ILE A 32 -3.963 1.275 2.967 1.00 0.00 N ATOM 490 CA ILE A 32 -3.555 2.474 2.166 1.00 0.00 C ATOM 491 C ILE A 32 -4.694 3.501 2.161 1.00 0.00 C ATOM 492 O ILE A 32 -5.859 3.157 2.179 1.00 0.00 O ATOM 493 CB ILE A 32 -3.225 1.995 0.725 1.00 0.00 C ATOM 494 CG1 ILE A 32 -1.726 1.675 0.612 1.00 0.00 C ATOM 495 CG2 ILE A 32 -3.587 3.054 -0.325 1.00 0.00 C ATOM 496 CD1 ILE A 32 -1.331 0.647 1.677 1.00 0.00 C ATOM 0 H ILE A 32 -4.721 0.729 2.558 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.677 2.954 2.599 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.820 1.102 0.533 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.502 1.287 -0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.140 2.586 0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.341 2.680 -1.319 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.654 3.269 -0.272 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.023 3.967 -0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.267 0.425 1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.539 1.051 2.668 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.906 -0.268 1.531 1.00 0.00 H new ATOM 508 N GLU A 33 -4.349 4.765 2.125 1.00 0.00 N ATOM 509 CA GLU A 33 -5.381 5.847 2.101 1.00 0.00 C ATOM 510 C GLU A 33 -5.030 6.828 0.982 1.00 0.00 C ATOM 511 O GLU A 33 -4.178 7.681 1.138 1.00 0.00 O ATOM 512 CB GLU A 33 -5.381 6.583 3.443 1.00 0.00 C ATOM 513 CG GLU A 33 -6.599 7.505 3.521 1.00 0.00 C ATOM 514 CD GLU A 33 -6.543 8.318 4.815 1.00 0.00 C ATOM 515 OE1 GLU A 33 -5.449 8.669 5.224 1.00 0.00 O ATOM 516 OE2 GLU A 33 -7.595 8.577 5.375 1.00 0.00 O ATOM 0 H GLU A 33 -3.384 5.096 2.111 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.368 5.419 1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.402 5.865 4.263 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.465 7.164 3.551 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.618 8.173 2.660 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.516 6.917 3.488 1.00 0.00 H new ATOM 523 N ALA A 34 -5.671 6.705 -0.154 1.00 0.00 N ATOM 524 CA ALA A 34 -5.372 7.621 -1.301 1.00 0.00 C ATOM 525 C ALA A 34 -6.680 8.058 -1.962 1.00 0.00 C ATOM 526 O ALA A 34 -7.743 7.971 -1.379 1.00 0.00 O ATOM 527 CB ALA A 34 -4.510 6.878 -2.326 1.00 0.00 C ATOM 0 H ALA A 34 -6.392 6.007 -0.338 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.839 8.499 -0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.289 7.540 -3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.578 6.562 -1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.049 6.002 -2.688 1.00 0.00 H new ATOM 533 N CYS A 35 -6.608 8.528 -3.179 1.00 0.00 N ATOM 534 CA CYS A 35 -7.840 8.977 -3.893 1.00 0.00 C ATOM 535 C CYS A 35 -7.721 8.614 -5.375 1.00 0.00 C ATOM 536 O CYS A 35 -8.694 8.598 -6.101 1.00 0.00 O ATOM 537 CB CYS A 35 -7.986 10.494 -3.751 1.00 0.00 C ATOM 538 SG CYS A 35 -9.656 10.988 -4.246 1.00 0.00 S ATOM 0 H CYS A 35 -5.744 8.621 -3.713 1.00 0.00 H new ATOM 0 HA CYS A 35 -8.714 8.487 -3.463 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.797 10.793 -2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.246 11.001 -4.371 1.00 0.00 H new ATOM 0 HG CYS A 35 -10.060 10.233 -5.224 1.00 0.00 H new ATOM 544 N ARG A 36 -6.532 8.318 -5.826 1.00 0.00 N ATOM 545 CA ARG A 36 -6.350 7.950 -7.257 1.00 0.00 C ATOM 546 C ARG A 36 -6.953 6.567 -7.500 1.00 0.00 C ATOM 547 O ARG A 36 -7.514 6.298 -8.544 1.00 0.00 O ATOM 548 CB ARG A 36 -4.857 7.924 -7.594 1.00 0.00 C ATOM 549 CG ARG A 36 -4.301 9.349 -7.567 1.00 0.00 C ATOM 550 CD ARG A 36 -2.834 9.332 -7.998 1.00 0.00 C ATOM 551 NE ARG A 36 -2.366 10.728 -8.225 1.00 0.00 N ATOM 552 CZ ARG A 36 -2.154 11.518 -7.208 1.00 0.00 C ATOM 553 NH1 ARG A 36 -2.355 11.086 -5.994 1.00 0.00 N ATOM 554 NH2 ARG A 36 -1.743 12.740 -7.406 1.00 0.00 N ATOM 0 H ARG A 36 -5.680 8.315 -5.265 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.849 8.684 -7.890 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.323 7.301 -6.877 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.703 7.481 -8.578 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.879 9.989 -8.233 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.392 9.767 -6.565 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.224 8.853 -7.232 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.719 8.746 -8.910 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.211 11.066 -9.175 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.678 10.131 -5.839 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.189 11.703 -5.199 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.587 13.078 -8.356 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.577 13.357 -6.611 1.00 0.00 H new ATOM 568 N LEU A 37 -6.847 5.689 -6.537 1.00 0.00 N ATOM 569 CA LEU A 37 -7.415 4.321 -6.695 1.00 0.00 C ATOM 570 C LEU A 37 -7.061 3.766 -8.078 1.00 0.00 C ATOM 571 O LEU A 37 -7.894 3.693 -8.960 1.00 0.00 O ATOM 572 CB LEU A 37 -8.934 4.392 -6.537 1.00 0.00 C ATOM 573 CG LEU A 37 -9.282 5.306 -5.359 1.00 0.00 C ATOM 574 CD1 LEU A 37 -10.793 5.281 -5.118 1.00 0.00 C ATOM 575 CD2 LEU A 37 -8.553 4.822 -4.101 1.00 0.00 C ATOM 0 H LEU A 37 -6.388 5.864 -5.643 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.997 3.661 -5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.388 4.772 -7.452 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.340 3.394 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.970 6.325 -5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.038 5.932 -4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.310 5.630 -6.012 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.108 4.263 -4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.802 5.473 -3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.861 3.802 -3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.477 4.846 -4.272 1.00 0.00 H new ATOM 587 N ARG A 38 -5.829 3.378 -8.275 1.00 0.00 N ATOM 588 CA ARG A 38 -5.418 2.829 -9.601 1.00 0.00 C ATOM 589 C ARG A 38 -4.255 1.853 -9.412 1.00 0.00 C ATOM 590 O ARG A 38 -3.471 1.626 -10.310 1.00 0.00 O ATOM 591 CB ARG A 38 -4.976 3.977 -10.511 1.00 0.00 C ATOM 592 CG ARG A 38 -3.898 4.802 -9.806 1.00 0.00 C ATOM 593 CD ARG A 38 -3.448 5.943 -10.720 1.00 0.00 C ATOM 594 NE ARG A 38 -4.644 6.648 -11.259 1.00 0.00 N ATOM 595 CZ ARG A 38 -4.507 7.531 -12.210 1.00 0.00 C ATOM 596 NH1 ARG A 38 -3.322 7.797 -12.689 1.00 0.00 N ATOM 597 NH2 ARG A 38 -5.556 8.149 -12.683 1.00 0.00 N ATOM 0 H ARG A 38 -5.089 3.417 -7.575 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.260 2.306 -10.055 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.590 3.582 -11.451 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.829 4.609 -10.757 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.287 5.204 -8.870 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.048 4.168 -9.553 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.820 6.641 -10.166 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.844 5.551 -11.538 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.570 6.441 -10.885 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.503 7.315 -12.320 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.216 8.487 -13.432 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.482 7.941 -12.309 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.449 8.839 -13.426 1.00 0.00 H new ATOM 611 N LEU A 39 -4.139 1.273 -8.249 1.00 0.00 N ATOM 612 CA LEU A 39 -3.028 0.311 -8.005 1.00 0.00 C ATOM 613 C LEU A 39 -3.334 -1.005 -8.727 1.00 0.00 C ATOM 614 O LEU A 39 -4.444 -1.240 -9.161 1.00 0.00 O ATOM 615 CB LEU A 39 -2.895 0.054 -6.500 1.00 0.00 C ATOM 616 CG LEU A 39 -2.178 1.233 -5.834 1.00 0.00 C ATOM 617 CD1 LEU A 39 -2.888 2.542 -6.196 1.00 0.00 C ATOM 618 CD2 LEU A 39 -2.197 1.046 -4.314 1.00 0.00 C ATOM 0 H LEU A 39 -4.765 1.424 -7.458 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.093 0.726 -8.383 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.881 -0.081 -6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.338 -0.867 -6.327 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.147 1.274 -6.185 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.375 3.378 -5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.875 2.676 -7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.920 2.504 -5.848 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.687 1.884 -3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.229 1.004 -3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.688 0.117 -4.055 1.00 0.00 H new ATOM 630 N ARG A 40 -2.359 -1.864 -8.858 1.00 0.00 N ATOM 631 CA ARG A 40 -2.598 -3.162 -9.552 1.00 0.00 C ATOM 632 C ARG A 40 -1.535 -4.175 -9.120 1.00 0.00 C ATOM 633 O ARG A 40 -0.609 -3.850 -8.405 1.00 0.00 O ATOM 634 CB ARG A 40 -2.519 -2.953 -11.066 1.00 0.00 C ATOM 635 CG ARG A 40 -1.180 -2.305 -11.423 1.00 0.00 C ATOM 636 CD ARG A 40 -1.126 -2.043 -12.929 1.00 0.00 C ATOM 637 NE ARG A 40 -2.317 -1.249 -13.338 1.00 0.00 N ATOM 638 CZ ARG A 40 -2.612 -1.119 -14.603 1.00 0.00 C ATOM 639 NH1 ARG A 40 -1.863 -1.686 -15.508 1.00 0.00 N ATOM 640 NH2 ARG A 40 -3.655 -0.422 -14.961 1.00 0.00 N ATOM 0 H ARG A 40 -1.409 -1.723 -8.515 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.586 -3.538 -9.288 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.622 -3.908 -11.581 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.342 -2.321 -11.400 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.059 -1.370 -10.876 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.358 -2.957 -11.127 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.213 -1.505 -13.183 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.101 -2.987 -13.473 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.903 -0.806 -12.630 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.048 -2.230 -15.227 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.093 -1.585 -16.497 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.240 0.021 -14.253 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.886 -0.320 -15.949 1.00 0.00 H new ATOM 654 N GLU A 41 -1.664 -5.401 -9.549 1.00 0.00 N ATOM 655 CA GLU A 41 -0.663 -6.434 -9.163 1.00 0.00 C ATOM 656 C GLU A 41 0.647 -6.184 -9.914 1.00 0.00 C ATOM 657 O GLU A 41 0.655 -5.666 -11.013 1.00 0.00 O ATOM 658 CB GLU A 41 -1.199 -7.822 -9.521 1.00 0.00 C ATOM 659 CG GLU A 41 -2.355 -8.181 -8.584 1.00 0.00 C ATOM 660 CD GLU A 41 -3.013 -9.478 -9.058 1.00 0.00 C ATOM 661 OE1 GLU A 41 -2.313 -10.305 -9.617 1.00 0.00 O ATOM 662 OE2 GLU A 41 -4.207 -9.621 -8.854 1.00 0.00 O ATOM 0 H GLU A 41 -2.419 -5.731 -10.150 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.481 -6.379 -8.090 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.539 -7.836 -10.557 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.404 -8.563 -9.436 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.988 -8.299 -7.565 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.088 -7.374 -8.568 1.00 0.00 H new ATOM 669 N GLY A 42 1.756 -6.551 -9.331 1.00 0.00 N ATOM 670 CA GLY A 42 3.066 -6.335 -10.011 1.00 0.00 C ATOM 671 C GLY A 42 3.513 -4.885 -9.819 1.00 0.00 C ATOM 672 O GLY A 42 4.437 -4.422 -10.457 1.00 0.00 O ATOM 0 H GLY A 42 1.812 -6.991 -8.413 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.815 -7.014 -9.603 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.977 -6.561 -11.074 1.00 0.00 H new ATOM 676 N ASP A 43 2.866 -4.164 -8.945 1.00 0.00 N ATOM 677 CA ASP A 43 3.257 -2.745 -8.714 1.00 0.00 C ATOM 678 C ASP A 43 4.541 -2.698 -7.883 1.00 0.00 C ATOM 679 O ASP A 43 4.698 -3.430 -6.922 1.00 0.00 O ATOM 680 CB ASP A 43 2.134 -2.018 -7.966 1.00 0.00 C ATOM 681 CG ASP A 43 2.337 -0.505 -8.080 1.00 0.00 C ATOM 682 OD1 ASP A 43 3.434 -0.100 -8.427 1.00 0.00 O ATOM 683 OD2 ASP A 43 1.392 0.220 -7.818 1.00 0.00 O ATOM 0 H ASP A 43 2.084 -4.496 -8.381 1.00 0.00 H new ATOM 0 HA ASP A 43 3.428 -2.255 -9.673 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.166 -2.298 -8.382 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.129 -2.316 -6.918 1.00 0.00 H new ATOM 688 N LYS A 44 5.460 -1.838 -8.246 1.00 0.00 N ATOM 689 CA LYS A 44 6.746 -1.723 -7.488 1.00 0.00 C ATOM 690 C LYS A 44 6.706 -0.465 -6.617 1.00 0.00 C ATOM 691 O LYS A 44 6.793 0.643 -7.108 1.00 0.00 O ATOM 692 CB LYS A 44 7.908 -1.617 -8.478 1.00 0.00 C ATOM 693 CG LYS A 44 7.856 -2.794 -9.454 1.00 0.00 C ATOM 694 CD LYS A 44 8.942 -2.624 -10.519 1.00 0.00 C ATOM 695 CE LYS A 44 8.715 -3.633 -11.645 1.00 0.00 C ATOM 696 NZ LYS A 44 9.695 -3.385 -12.740 1.00 0.00 N ATOM 0 H LYS A 44 5.374 -1.205 -9.041 1.00 0.00 H new ATOM 0 HA LYS A 44 6.882 -2.602 -6.858 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.850 -0.675 -9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.857 -1.617 -7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.002 -3.732 -8.917 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.875 -2.846 -9.925 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.921 -1.609 -10.916 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.927 -2.773 -10.076 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.827 -4.649 -11.266 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.698 -3.546 -12.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.541 -4.071 -13.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.568 -2.421 -13.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.662 -3.490 -12.371 1.00 0.00 H new ATOM 710 N LEU A 45 6.569 -0.627 -5.328 1.00 0.00 N ATOM 711 CA LEU A 45 6.515 0.559 -4.421 1.00 0.00 C ATOM 712 C LEU A 45 7.925 0.898 -3.927 1.00 0.00 C ATOM 713 O LEU A 45 8.517 0.164 -3.161 1.00 0.00 O ATOM 714 CB LEU A 45 5.619 0.233 -3.223 1.00 0.00 C ATOM 715 CG LEU A 45 4.373 -0.515 -3.702 1.00 0.00 C ATOM 716 CD1 LEU A 45 3.414 -0.713 -2.528 1.00 0.00 C ATOM 717 CD2 LEU A 45 3.676 0.298 -4.797 1.00 0.00 C ATOM 0 H LEU A 45 6.492 -1.531 -4.862 1.00 0.00 H new ATOM 0 HA LEU A 45 6.111 1.414 -4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.166 -0.375 -2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.330 1.151 -2.712 1.00 0.00 H new ATOM 0 HG LEU A 45 4.665 -1.486 -4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.526 -1.246 -2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.908 -1.293 -1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.123 0.258 -2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.789 -0.236 -5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.384 1.270 -4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.358 0.439 -5.635 1.00 0.00 H new ATOM 729 N THR A 46 8.466 2.009 -4.356 1.00 0.00 N ATOM 730 CA THR A 46 9.835 2.401 -3.909 1.00 0.00 C ATOM 731 C THR A 46 9.726 3.243 -2.627 1.00 0.00 C ATOM 732 O THR A 46 8.742 3.926 -2.422 1.00 0.00 O ATOM 733 CB THR A 46 10.505 3.237 -5.006 1.00 0.00 C ATOM 734 OG1 THR A 46 10.173 4.606 -4.824 1.00 0.00 O ATOM 735 CG2 THR A 46 10.019 2.772 -6.381 1.00 0.00 C ATOM 0 H THR A 46 8.017 2.663 -4.998 1.00 0.00 H new ATOM 0 HA THR A 46 10.428 1.508 -3.714 1.00 0.00 H new ATOM 0 HB THR A 46 11.586 3.111 -4.946 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.602 5.142 -5.523 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.498 3.369 -7.157 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.275 1.722 -6.521 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.938 2.894 -6.445 1.00 0.00 H new ATOM 743 N PRO A 47 10.721 3.206 -1.770 1.00 0.00 N ATOM 744 CA PRO A 47 10.710 3.992 -0.498 1.00 0.00 C ATOM 745 C PRO A 47 10.994 5.480 -0.739 1.00 0.00 C ATOM 746 O PRO A 47 11.909 5.838 -1.455 1.00 0.00 O ATOM 747 CB PRO A 47 11.836 3.350 0.321 1.00 0.00 C ATOM 748 CG PRO A 47 12.809 2.867 -0.704 1.00 0.00 C ATOM 749 CD PRO A 47 11.966 2.421 -1.904 1.00 0.00 C ATOM 0 HA PRO A 47 9.740 3.965 -0.002 1.00 0.00 H new ATOM 0 HB2 PRO A 47 12.296 4.070 0.998 1.00 0.00 H new ATOM 0 HB3 PRO A 47 11.464 2.529 0.934 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.504 3.658 -0.987 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.406 2.041 -0.317 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.471 2.629 -2.847 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.768 1.349 -1.878 1.00 0.00 H new ATOM 757 N LEU A 48 10.222 6.352 -0.145 1.00 0.00 N ATOM 758 CA LEU A 48 10.456 7.812 -0.340 1.00 0.00 C ATOM 759 C LEU A 48 11.535 8.285 0.636 1.00 0.00 C ATOM 760 O LEU A 48 12.612 8.685 0.238 1.00 0.00 O ATOM 761 CB LEU A 48 9.153 8.580 -0.082 1.00 0.00 C ATOM 762 CG LEU A 48 9.351 10.077 -0.374 1.00 0.00 C ATOM 763 CD1 LEU A 48 9.659 10.296 -1.868 1.00 0.00 C ATOM 764 CD2 LEU A 48 8.071 10.833 0.006 1.00 0.00 C ATOM 0 H LEU A 48 9.440 6.116 0.466 1.00 0.00 H new ATOM 0 HA LEU A 48 10.784 7.997 -1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.357 8.182 -0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.840 8.442 0.953 1.00 0.00 H new ATOM 0 HG LEU A 48 10.191 10.450 0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.797 11.360 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.569 9.759 -2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.829 9.924 -2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.202 11.896 -0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.235 10.451 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.865 10.690 1.067 1.00 0.00 H new ATOM 776 N ALA A 49 11.259 8.244 1.912 1.00 0.00 N ATOM 777 CA ALA A 49 12.275 8.693 2.906 1.00 0.00 C ATOM 778 C ALA A 49 11.762 8.435 4.327 1.00 0.00 C ATOM 779 O ALA A 49 12.311 7.636 5.058 1.00 0.00 O ATOM 780 CB ALA A 49 12.538 10.189 2.724 1.00 0.00 C ATOM 0 H ALA A 49 10.376 7.920 2.308 1.00 0.00 H new ATOM 0 HA ALA A 49 13.199 8.137 2.751 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.281 10.519 3.450 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.909 10.373 1.716 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.611 10.742 2.876 1.00 0.00 H new ATOM 786 N ASP A 50 10.719 9.112 4.725 1.00 0.00 N ATOM 787 CA ASP A 50 10.181 8.910 6.102 1.00 0.00 C ATOM 788 C ASP A 50 9.352 7.624 6.154 1.00 0.00 C ATOM 789 O ASP A 50 9.496 6.819 7.052 1.00 0.00 O ATOM 790 CB ASP A 50 9.297 10.099 6.483 1.00 0.00 C ATOM 791 CG ASP A 50 8.888 9.982 7.952 1.00 0.00 C ATOM 792 OD1 ASP A 50 9.772 9.965 8.793 1.00 0.00 O ATOM 793 OD2 ASP A 50 7.698 9.910 8.212 1.00 0.00 O ATOM 0 H ASP A 50 10.217 9.795 4.158 1.00 0.00 H new ATOM 0 HA ASP A 50 11.012 8.831 6.803 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.834 11.033 6.318 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.411 10.125 5.849 1.00 0.00 H new ATOM 798 N ALA A 51 8.486 7.424 5.199 1.00 0.00 N ATOM 799 CA ALA A 51 7.651 6.189 5.199 1.00 0.00 C ATOM 800 C ALA A 51 6.793 6.150 3.933 1.00 0.00 C ATOM 801 O ALA A 51 6.448 5.096 3.440 1.00 0.00 O ATOM 802 CB ALA A 51 6.740 6.186 6.429 1.00 0.00 C ATOM 0 H ALA A 51 8.320 8.061 4.420 1.00 0.00 H new ATOM 0 HA ALA A 51 8.301 5.315 5.225 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.130 5.283 6.428 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.349 6.212 7.333 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.091 7.062 6.404 1.00 0.00 H new ATOM 808 N ARG A 52 6.445 7.290 3.403 1.00 0.00 N ATOM 809 CA ARG A 52 5.608 7.309 2.170 1.00 0.00 C ATOM 810 C ARG A 52 6.209 6.357 1.133 1.00 0.00 C ATOM 811 O ARG A 52 7.296 5.842 1.306 1.00 0.00 O ATOM 812 CB ARG A 52 5.573 8.728 1.601 1.00 0.00 C ATOM 813 CG ARG A 52 4.717 9.620 2.503 1.00 0.00 C ATOM 814 CD ARG A 52 4.743 11.055 1.974 1.00 0.00 C ATOM 815 NE ARG A 52 4.201 11.976 3.013 1.00 0.00 N ATOM 816 CZ ARG A 52 4.479 13.251 2.964 1.00 0.00 C ATOM 817 NH1 ARG A 52 5.231 13.719 2.007 1.00 0.00 N ATOM 818 NH2 ARG A 52 4.003 14.057 3.874 1.00 0.00 N ATOM 0 H ARG A 52 6.703 8.207 3.769 1.00 0.00 H new ATOM 0 HA ARG A 52 4.594 6.990 2.412 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.585 9.128 1.531 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.164 8.716 0.591 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.692 9.250 2.531 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.095 9.591 3.525 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.763 11.340 1.716 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.150 11.129 1.062 1.00 0.00 H new ATOM 0 HE ARG A 52 3.613 11.610 3.762 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.603 13.089 1.296 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.448 14.715 1.969 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.415 13.691 4.622 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.220 15.053 3.837 1.00 0.00 H new ATOM 832 N TYR A 53 5.509 6.117 0.056 1.00 0.00 N ATOM 833 CA TYR A 53 6.035 5.195 -0.995 1.00 0.00 C ATOM 834 C TYR A 53 5.562 5.675 -2.370 1.00 0.00 C ATOM 835 O TYR A 53 4.462 6.172 -2.520 1.00 0.00 O ATOM 836 CB TYR A 53 5.509 3.776 -0.738 1.00 0.00 C ATOM 837 CG TYR A 53 6.315 3.114 0.356 1.00 0.00 C ATOM 838 CD1 TYR A 53 7.473 2.397 0.036 1.00 0.00 C ATOM 839 CD2 TYR A 53 5.901 3.214 1.691 1.00 0.00 C ATOM 840 CE1 TYR A 53 8.218 1.779 1.047 1.00 0.00 C ATOM 841 CE2 TYR A 53 6.646 2.596 2.702 1.00 0.00 C ATOM 842 CZ TYR A 53 7.805 1.879 2.380 1.00 0.00 C ATOM 843 OH TYR A 53 8.538 1.271 3.378 1.00 0.00 O ATOM 0 H TYR A 53 4.593 6.520 -0.142 1.00 0.00 H new ATOM 0 HA TYR A 53 7.125 5.188 -0.966 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.458 3.815 -0.453 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.569 3.186 -1.653 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.793 2.320 -0.993 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.008 3.768 1.940 1.00 0.00 H new ATOM 0 HE1 TYR A 53 9.111 1.225 0.798 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.327 2.672 3.731 1.00 0.00 H new ATOM 0 HH TYR A 53 8.113 1.440 4.245 1.00 0.00 H new ATOM 853 N CYS A 54 6.388 5.522 -3.376 1.00 0.00 N ATOM 854 CA CYS A 54 6.008 5.956 -4.759 1.00 0.00 C ATOM 855 C CYS A 54 5.824 4.719 -5.637 1.00 0.00 C ATOM 856 O CYS A 54 6.700 3.882 -5.733 1.00 0.00 O ATOM 857 CB CYS A 54 7.123 6.828 -5.340 1.00 0.00 C ATOM 858 SG CYS A 54 7.612 8.074 -4.122 1.00 0.00 S ATOM 0 H CYS A 54 7.318 5.111 -3.298 1.00 0.00 H new ATOM 0 HA CYS A 54 5.080 6.526 -4.725 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.980 6.210 -5.608 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.781 7.313 -6.254 1.00 0.00 H new ATOM 0 HG CYS A 54 8.561 8.813 -4.615 1.00 0.00 H new ATOM 864 N LEU A 55 4.692 4.588 -6.278 1.00 0.00 N ATOM 865 CA LEU A 55 4.459 3.394 -7.148 1.00 0.00 C ATOM 866 C LEU A 55 4.930 3.696 -8.573 1.00 0.00 C ATOM 867 O LEU A 55 4.874 4.820 -9.029 1.00 0.00 O ATOM 868 CB LEU A 55 2.962 3.044 -7.155 1.00 0.00 C ATOM 869 CG LEU A 55 2.114 4.275 -7.582 1.00 0.00 C ATOM 870 CD1 LEU A 55 1.760 4.200 -9.074 1.00 0.00 C ATOM 871 CD2 LEU A 55 0.812 4.324 -6.770 1.00 0.00 C ATOM 0 H LEU A 55 3.920 5.253 -6.238 1.00 0.00 H new ATOM 0 HA LEU A 55 5.022 2.546 -6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.780 2.215 -7.839 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.656 2.711 -6.163 1.00 0.00 H new ATOM 0 HG LEU A 55 2.705 5.172 -7.395 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.166 5.071 -9.351 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.676 4.182 -9.665 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.186 3.294 -9.267 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.225 5.190 -7.076 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.238 3.415 -6.948 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.048 4.402 -5.709 1.00 0.00 H new ATOM 883 N ASN A 56 5.405 2.696 -9.270 1.00 0.00 N ATOM 884 CA ASN A 56 5.895 2.900 -10.667 1.00 0.00 C ATOM 885 C ASN A 56 7.057 3.897 -10.669 1.00 0.00 C ATOM 886 O ASN A 56 7.406 4.455 -11.690 1.00 0.00 O ATOM 887 CB ASN A 56 4.759 3.421 -11.553 1.00 0.00 C ATOM 888 CG ASN A 56 3.520 2.543 -11.364 1.00 0.00 C ATOM 889 OD1 ASN A 56 2.467 2.837 -11.894 1.00 0.00 O ATOM 890 ND2 ASN A 56 3.602 1.471 -10.625 1.00 0.00 N ATOM 0 H ASN A 56 5.475 1.738 -8.928 1.00 0.00 H new ATOM 0 HA ASN A 56 6.242 1.946 -11.064 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.528 4.455 -11.296 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.067 3.414 -12.599 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.782 0.879 -10.492 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.486 1.225 -10.180 1.00 0.00 H new ATOM 897 N ASN A 57 7.668 4.113 -9.536 1.00 0.00 N ATOM 898 CA ASN A 57 8.818 5.060 -9.472 1.00 0.00 C ATOM 899 C ASN A 57 8.413 6.423 -10.042 1.00 0.00 C ATOM 900 O ASN A 57 9.164 7.046 -10.766 1.00 0.00 O ATOM 901 CB ASN A 57 9.985 4.497 -10.286 1.00 0.00 C ATOM 902 CG ASN A 57 11.256 5.290 -9.974 1.00 0.00 C ATOM 903 OD1 ASN A 57 11.402 5.822 -8.892 1.00 0.00 O ATOM 904 ND2 ASN A 57 12.185 5.394 -10.884 1.00 0.00 N ATOM 0 H ASN A 57 7.420 3.673 -8.650 1.00 0.00 H new ATOM 0 HA ASN A 57 9.118 5.184 -8.431 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.133 3.444 -10.048 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.760 4.554 -11.351 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.035 5.922 -10.687 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.061 4.947 -11.792 1.00 0.00 H new ATOM 911 N ASN A 58 7.234 6.891 -9.717 1.00 0.00 N ATOM 912 CA ASN A 58 6.766 8.218 -10.227 1.00 0.00 C ATOM 913 C ASN A 58 6.224 9.042 -9.045 1.00 0.00 C ATOM 914 O ASN A 58 5.072 8.911 -8.682 1.00 0.00 O ATOM 915 CB ASN A 58 5.644 7.993 -11.245 1.00 0.00 C ATOM 916 CG ASN A 58 6.054 6.890 -12.221 1.00 0.00 C ATOM 917 OD1 ASN A 58 5.219 6.168 -12.726 1.00 0.00 O ATOM 918 ND2 ASN A 58 7.316 6.730 -12.512 1.00 0.00 N ATOM 0 H ASN A 58 6.569 6.406 -9.114 1.00 0.00 H new ATOM 0 HA ASN A 58 7.591 8.750 -10.701 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.723 7.715 -10.732 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.440 8.916 -11.788 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.600 5.999 -13.164 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.018 7.336 -12.088 1.00 0.00 H new ATOM 925 N PRO A 59 7.043 9.875 -8.436 1.00 0.00 N ATOM 926 CA PRO A 59 6.619 10.714 -7.271 1.00 0.00 C ATOM 927 C PRO A 59 5.273 11.416 -7.497 1.00 0.00 C ATOM 928 O PRO A 59 4.747 12.064 -6.615 1.00 0.00 O ATOM 929 CB PRO A 59 7.754 11.735 -7.134 1.00 0.00 C ATOM 930 CG PRO A 59 8.960 11.024 -7.653 1.00 0.00 C ATOM 931 CD PRO A 59 8.460 10.116 -8.780 1.00 0.00 C ATOM 0 HA PRO A 59 6.462 10.112 -6.376 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.547 12.638 -7.709 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.889 12.041 -6.097 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.702 11.732 -8.022 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.439 10.442 -6.866 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.559 10.595 -9.754 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.025 9.185 -8.824 1.00 0.00 H new ATOM 939 N THR A 60 4.712 11.291 -8.668 1.00 0.00 N ATOM 940 CA THR A 60 3.400 11.945 -8.944 1.00 0.00 C ATOM 941 C THR A 60 2.271 11.039 -8.442 1.00 0.00 C ATOM 942 O THR A 60 1.130 11.447 -8.352 1.00 0.00 O ATOM 943 CB THR A 60 3.249 12.158 -10.455 1.00 0.00 C ATOM 944 OG1 THR A 60 1.869 12.148 -10.796 1.00 0.00 O ATOM 945 CG2 THR A 60 3.971 11.037 -11.208 1.00 0.00 C ATOM 0 H THR A 60 5.105 10.764 -9.447 1.00 0.00 H new ATOM 0 HA THR A 60 3.352 12.907 -8.434 1.00 0.00 H new ATOM 0 HB THR A 60 3.687 13.117 -10.732 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.330 12.203 -9.979 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.862 11.191 -12.282 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.029 11.045 -10.946 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.537 10.076 -10.933 1.00 0.00 H new ATOM 953 N GLN A 61 2.588 9.809 -8.116 1.00 0.00 N ATOM 954 CA GLN A 61 1.551 8.846 -7.617 1.00 0.00 C ATOM 955 C GLN A 61 2.002 8.262 -6.278 1.00 0.00 C ATOM 956 O GLN A 61 2.220 7.076 -6.158 1.00 0.00 O ATOM 957 CB GLN A 61 1.382 7.701 -8.620 1.00 0.00 C ATOM 958 CG GLN A 61 1.101 8.266 -10.013 1.00 0.00 C ATOM 959 CD GLN A 61 0.487 7.178 -10.899 1.00 0.00 C ATOM 960 OE1 GLN A 61 -0.476 6.541 -10.521 1.00 0.00 O ATOM 961 NE2 GLN A 61 1.008 6.938 -12.072 1.00 0.00 N ATOM 0 H GLN A 61 3.531 9.425 -8.175 1.00 0.00 H new ATOM 0 HA GLN A 61 0.605 9.373 -7.496 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.284 7.089 -8.642 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.563 7.052 -8.309 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.422 9.116 -9.941 1.00 0.00 H new ATOM 0 HG3 GLN A 61 2.025 8.633 -10.460 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.816 7.472 -12.390 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.606 6.216 -12.670 1.00 0.00 H new ATOM 970 N THR A 62 2.152 9.077 -5.268 1.00 0.00 N ATOM 971 CA THR A 62 2.600 8.547 -3.942 1.00 0.00 C ATOM 972 C THR A 62 1.381 8.307 -3.057 1.00 0.00 C ATOM 973 O THR A 62 0.271 8.658 -3.401 1.00 0.00 O ATOM 974 CB THR A 62 3.523 9.570 -3.267 1.00 0.00 C ATOM 975 OG1 THR A 62 2.740 10.482 -2.509 1.00 0.00 O ATOM 976 CG2 THR A 62 4.309 10.337 -4.330 1.00 0.00 C ATOM 0 H THR A 62 1.985 10.083 -5.301 1.00 0.00 H new ATOM 0 HA THR A 62 3.139 7.611 -4.087 1.00 0.00 H new ATOM 0 HB THR A 62 4.220 9.050 -2.610 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.327 11.136 -2.075 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.963 11.062 -3.846 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.910 9.639 -4.913 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.615 10.858 -4.990 1.00 0.00 H new ATOM 984 N LEU A 63 1.578 7.696 -1.921 1.00 0.00 N ATOM 985 CA LEU A 63 0.428 7.414 -1.016 1.00 0.00 C ATOM 986 C LEU A 63 0.914 7.339 0.434 1.00 0.00 C ATOM 987 O LEU A 63 2.080 7.130 0.699 1.00 0.00 O ATOM 988 CB LEU A 63 -0.224 6.084 -1.429 1.00 0.00 C ATOM 989 CG LEU A 63 0.667 4.889 -1.061 1.00 0.00 C ATOM 990 CD1 LEU A 63 0.019 3.606 -1.590 1.00 0.00 C ATOM 991 CD2 LEU A 63 2.057 5.052 -1.692 1.00 0.00 C ATOM 0 H LEU A 63 2.486 7.380 -1.580 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.307 8.215 -1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.192 5.983 -0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.409 6.085 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 63 0.774 4.838 0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.644 2.750 -1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.966 3.483 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.083 3.670 -2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.680 4.199 -1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.960 5.105 -2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.519 5.968 -1.324 1.00 0.00 H new ATOM 1003 N LYS A 64 0.020 7.515 1.376 1.00 0.00 N ATOM 1004 CA LYS A 64 0.411 7.461 2.819 1.00 0.00 C ATOM 1005 C LYS A 64 -0.036 6.131 3.422 1.00 0.00 C ATOM 1006 O LYS A 64 -1.150 5.688 3.219 1.00 0.00 O ATOM 1007 CB LYS A 64 -0.267 8.608 3.571 1.00 0.00 C ATOM 1008 CG LYS A 64 0.295 9.945 3.082 1.00 0.00 C ATOM 1009 CD LYS A 64 -0.104 11.054 4.056 1.00 0.00 C ATOM 1010 CE LYS A 64 0.230 12.416 3.446 1.00 0.00 C ATOM 1011 NZ LYS A 64 1.709 12.563 3.339 1.00 0.00 N ATOM 0 H LYS A 64 -0.970 7.695 1.206 1.00 0.00 H new ATOM 0 HA LYS A 64 1.494 7.553 2.904 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.345 8.575 3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.101 8.502 4.643 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.381 9.888 3.004 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.085 10.168 2.085 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.170 10.994 4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.423 10.929 5.002 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.227 12.507 2.461 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.182 13.214 4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.945 13.552 3.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.151 12.294 4.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.065 11.946 2.582 1.00 0.00 H new ATOM 1025 N ILE A 65 0.823 5.489 4.167 1.00 0.00 N ATOM 1026 CA ILE A 65 0.443 4.188 4.786 1.00 0.00 C ATOM 1027 C ILE A 65 -0.371 4.450 6.052 1.00 0.00 C ATOM 1028 O ILE A 65 -0.063 5.328 6.832 1.00 0.00 O ATOM 1029 CB ILE A 65 1.700 3.393 5.153 1.00 0.00 C ATOM 1030 CG1 ILE A 65 2.637 4.258 6.003 1.00 0.00 C ATOM 1031 CG2 ILE A 65 2.425 2.964 3.878 1.00 0.00 C ATOM 1032 CD1 ILE A 65 3.896 3.459 6.350 1.00 0.00 C ATOM 0 H ILE A 65 1.769 5.809 4.373 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.149 3.614 4.073 1.00 0.00 H new ATOM 0 HB ILE A 65 1.409 2.511 5.724 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.907 5.163 5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.131 4.573 6.915 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.319 2.399 4.141 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.764 2.340 3.276 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.709 3.847 3.306 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.562 4.074 6.955 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.618 2.567 6.911 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.406 3.166 5.432 1.00 0.00 H new ATOM 1044 N ARG A 66 -1.409 3.689 6.265 1.00 0.00 N ATOM 1045 CA ARG A 66 -2.241 3.885 7.486 1.00 0.00 C ATOM 1046 C ARG A 66 -1.713 2.968 8.590 1.00 0.00 C ATOM 1047 O ARG A 66 -1.708 3.322 9.752 1.00 0.00 O ATOM 1048 CB ARG A 66 -3.697 3.536 7.170 1.00 0.00 C ATOM 1049 CG ARG A 66 -4.523 3.552 8.458 1.00 0.00 C ATOM 1050 CD ARG A 66 -6.013 3.575 8.110 1.00 0.00 C ATOM 1051 NE ARG A 66 -6.814 3.687 9.361 1.00 0.00 N ATOM 1052 CZ ARG A 66 -6.954 4.844 9.945 1.00 0.00 C ATOM 1053 NH1 ARG A 66 -6.391 5.906 9.434 1.00 0.00 N ATOM 1054 NH2 ARG A 66 -7.656 4.944 11.041 1.00 0.00 N ATOM 0 H ARG A 66 -1.717 2.939 5.646 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.189 4.923 7.815 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.106 4.251 6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.752 2.552 6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.293 2.673 9.061 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.265 4.426 9.057 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.230 4.415 7.450 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.285 2.668 7.571 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.253 2.858 9.761 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.842 5.830 8.578 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.501 6.811 9.891 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.096 4.116 11.442 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.764 5.850 11.496 1.00 0.00 H new ATOM 1068 N ASN A 67 -1.256 1.794 8.232 1.00 0.00 N ATOM 1069 CA ASN A 67 -0.719 0.854 9.259 1.00 0.00 C ATOM 1070 C ASN A 67 -0.124 -0.383 8.575 1.00 0.00 C ATOM 1071 O ASN A 67 -0.842 -1.242 8.097 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.850 0.413 10.195 1.00 0.00 C ATOM 1073 CG ASN A 67 -1.306 -0.589 11.215 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -1.346 -0.344 12.405 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -0.796 -1.716 10.799 1.00 0.00 N ATOM 0 H ASN A 67 -1.232 1.447 7.273 1.00 0.00 H new ATOM 0 HA ASN A 67 0.057 1.362 9.832 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.270 1.278 10.708 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.657 -0.040 9.619 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.432 -2.390 11.472 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.762 -1.923 9.801 1.00 0.00 H new ATOM 1082 N ALA A 68 1.180 -0.490 8.534 1.00 0.00 N ATOM 1083 CA ALA A 68 1.811 -1.683 7.896 1.00 0.00 C ATOM 1084 C ALA A 68 1.811 -2.845 8.889 1.00 0.00 C ATOM 1085 O ALA A 68 1.829 -2.648 10.089 1.00 0.00 O ATOM 1086 CB ALA A 68 3.253 -1.360 7.500 1.00 0.00 C ATOM 0 H ALA A 68 1.833 0.196 8.914 1.00 0.00 H new ATOM 0 HA ALA A 68 1.245 -1.955 7.005 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.707 -2.235 7.035 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.259 -0.530 6.794 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.821 -1.085 8.388 1.00 0.00 H new ATOM 1092 N THR A 69 1.795 -4.061 8.405 1.00 0.00 N ATOM 1093 CA THR A 69 1.795 -5.239 9.326 1.00 0.00 C ATOM 1094 C THR A 69 2.601 -6.376 8.695 1.00 0.00 C ATOM 1095 O THR A 69 2.562 -6.590 7.499 1.00 0.00 O ATOM 1096 CB THR A 69 0.356 -5.703 9.557 1.00 0.00 C ATOM 1097 OG1 THR A 69 -0.262 -5.961 8.305 1.00 0.00 O ATOM 1098 CG2 THR A 69 -0.422 -4.614 10.297 1.00 0.00 C ATOM 0 H THR A 69 1.782 -4.290 7.411 1.00 0.00 H new ATOM 0 HA THR A 69 2.244 -4.958 10.278 1.00 0.00 H new ATOM 0 HB THR A 69 0.359 -6.613 10.156 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.347 -5.123 7.803 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.447 -4.947 10.461 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.053 -4.417 11.258 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.427 -3.702 9.701 1.00 0.00 H new ATOM 1106 N HIS A 70 3.336 -7.106 9.490 1.00 0.00 N ATOM 1107 CA HIS A 70 4.147 -8.228 8.938 1.00 0.00 C ATOM 1108 C HIS A 70 3.228 -9.395 8.574 1.00 0.00 C ATOM 1109 O HIS A 70 3.463 -10.525 8.955 1.00 0.00 O ATOM 1110 CB HIS A 70 5.162 -8.686 9.986 1.00 0.00 C ATOM 1111 CG HIS A 70 6.161 -7.588 10.232 1.00 0.00 C ATOM 1112 ND1 HIS A 70 7.505 -7.726 9.916 1.00 0.00 N ATOM 1113 CD2 HIS A 70 6.026 -6.327 10.760 1.00 0.00 C ATOM 1114 CE1 HIS A 70 8.121 -6.578 10.255 1.00 0.00 C ATOM 1115 NE2 HIS A 70 7.265 -5.696 10.772 1.00 0.00 N ATOM 0 H HIS A 70 3.410 -6.973 10.499 1.00 0.00 H new ATOM 0 HA HIS A 70 4.673 -7.890 8.045 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.651 -8.942 10.914 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.672 -9.586 9.644 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.101 -5.893 11.111 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.177 -6.394 10.124 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.475 -4.755 11.106 1.00 0.00 H new ATOM 1124 N TYR A 71 2.183 -9.133 7.837 1.00 0.00 N ATOM 1125 CA TYR A 71 1.251 -10.228 7.446 1.00 0.00 C ATOM 1126 C TYR A 71 0.864 -11.034 8.690 1.00 0.00 C ATOM 1127 O TYR A 71 1.077 -12.227 8.761 1.00 0.00 O ATOM 1128 CB TYR A 71 1.937 -11.142 6.426 1.00 0.00 C ATOM 1129 CG TYR A 71 1.064 -12.344 6.145 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -0.143 -12.184 5.455 1.00 0.00 C ATOM 1131 CD2 TYR A 71 1.461 -13.618 6.573 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -0.953 -13.295 5.193 1.00 0.00 C ATOM 1133 CE2 TYR A 71 0.650 -14.729 6.311 1.00 0.00 C ATOM 1134 CZ TYR A 71 -0.558 -14.567 5.621 1.00 0.00 C ATOM 1135 OH TYR A 71 -1.357 -15.662 5.363 1.00 0.00 O ATOM 0 H TYR A 71 1.935 -8.207 7.489 1.00 0.00 H new ATOM 0 HA TYR A 71 0.352 -9.803 6.999 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.125 -10.594 5.503 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.905 -11.466 6.808 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.450 -11.203 5.124 1.00 0.00 H new ATOM 0 HD2 TYR A 71 2.393 -13.743 7.105 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.884 -13.170 4.660 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.956 -15.711 6.641 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.935 -16.468 5.727 1.00 0.00 H new ATOM 1145 N SER A 72 0.292 -10.389 9.670 1.00 0.00 N ATOM 1146 CA SER A 72 -0.114 -11.115 10.909 1.00 0.00 C ATOM 1147 C SER A 72 -1.506 -11.716 10.709 1.00 0.00 C ATOM 1148 O SER A 72 -2.394 -11.085 10.170 1.00 0.00 O ATOM 1149 CB SER A 72 -0.148 -10.136 12.084 1.00 0.00 C ATOM 1150 OG SER A 72 -0.808 -8.943 11.683 1.00 0.00 O ATOM 0 H SER A 72 0.088 -9.390 9.667 1.00 0.00 H new ATOM 0 HA SER A 72 0.602 -11.910 11.118 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.667 -10.585 12.931 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.866 -9.911 12.414 1.00 0.00 H new ATOM 0 HG SER A 72 -0.833 -8.314 12.434 1.00 0.00 H new ATOM 1156 N SER A 73 -1.705 -12.932 11.139 1.00 0.00 N ATOM 1157 CA SER A 73 -3.041 -13.568 10.971 1.00 0.00 C ATOM 1158 C SER A 73 -4.106 -12.703 11.646 1.00 0.00 C ATOM 1159 O SER A 73 -5.282 -12.813 11.362 1.00 0.00 O ATOM 1160 CB SER A 73 -3.029 -14.956 11.613 1.00 0.00 C ATOM 1161 OG SER A 73 -4.353 -15.474 11.635 1.00 0.00 O ATOM 0 H SER A 73 -1.002 -13.511 11.598 1.00 0.00 H new ATOM 0 HA SER A 73 -3.268 -13.661 9.909 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.374 -15.623 11.052 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.632 -14.897 12.626 1.00 0.00 H new ATOM 0 HG SER A 73 -4.349 -16.364 12.044 1.00 0.00 H new ATOM 1167 N GLU A 74 -3.703 -11.842 12.541 1.00 0.00 N ATOM 1168 CA GLU A 74 -4.692 -10.971 13.235 1.00 0.00 C ATOM 1169 C GLU A 74 -5.097 -9.817 12.315 1.00 0.00 C ATOM 1170 O GLU A 74 -6.255 -9.467 12.213 1.00 0.00 O ATOM 1171 CB GLU A 74 -4.066 -10.407 14.512 1.00 0.00 C ATOM 1172 CG GLU A 74 -3.534 -11.556 15.369 1.00 0.00 C ATOM 1173 CD GLU A 74 -4.691 -12.470 15.776 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -5.422 -12.102 16.680 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -4.828 -13.523 15.174 1.00 0.00 O ATOM 0 H GLU A 74 -2.732 -11.705 12.821 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.575 -11.558 13.489 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.257 -9.721 14.261 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.807 -9.835 15.071 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.788 -12.123 14.813 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.039 -11.162 16.256 1.00 0.00 H new ATOM 1182 N ARG A 75 -4.149 -9.219 11.646 1.00 0.00 N ATOM 1183 CA ARG A 75 -4.480 -8.084 10.738 1.00 0.00 C ATOM 1184 C ARG A 75 -5.404 -8.576 9.622 1.00 0.00 C ATOM 1185 O ARG A 75 -6.447 -8.006 9.371 1.00 0.00 O ATOM 1186 CB ARG A 75 -3.184 -7.526 10.134 1.00 0.00 C ATOM 1187 CG ARG A 75 -3.499 -6.390 9.147 1.00 0.00 C ATOM 1188 CD ARG A 75 -4.292 -5.279 9.848 1.00 0.00 C ATOM 1189 NE ARG A 75 -4.084 -3.994 9.123 1.00 0.00 N ATOM 1190 CZ ARG A 75 -4.439 -2.867 9.678 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -4.977 -2.865 10.866 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -4.256 -1.741 9.043 1.00 0.00 N ATOM 0 H ARG A 75 -3.161 -9.467 11.689 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.985 -7.298 11.299 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.535 -7.157 10.928 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.642 -8.321 9.622 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.572 -5.984 8.742 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.072 -6.779 8.305 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.352 -5.531 9.869 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.967 -5.182 10.884 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.664 -3.995 8.193 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.121 -3.744 11.362 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.254 -1.984 11.299 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.836 -1.742 8.114 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.533 -0.860 9.476 1.00 0.00 H new ATOM 1206 N TRP A 76 -5.029 -9.627 8.945 1.00 0.00 N ATOM 1207 CA TRP A 76 -5.887 -10.149 7.843 1.00 0.00 C ATOM 1208 C TRP A 76 -7.269 -10.509 8.391 1.00 0.00 C ATOM 1209 O TRP A 76 -8.283 -10.148 7.827 1.00 0.00 O ATOM 1210 CB TRP A 76 -5.238 -11.398 7.240 1.00 0.00 C ATOM 1211 CG TRP A 76 -6.131 -11.962 6.181 1.00 0.00 C ATOM 1212 CD1 TRP A 76 -7.012 -12.971 6.365 1.00 0.00 C ATOM 1213 CD2 TRP A 76 -6.245 -11.569 4.783 1.00 0.00 C ATOM 1214 NE1 TRP A 76 -7.660 -13.223 5.169 1.00 0.00 N ATOM 1215 CE2 TRP A 76 -7.222 -12.384 4.164 1.00 0.00 C ATOM 1216 CE3 TRP A 76 -5.603 -10.594 3.999 1.00 0.00 C ATOM 1217 CZ2 TRP A 76 -7.549 -12.238 2.816 1.00 0.00 C ATOM 1218 CZ3 TRP A 76 -5.930 -10.444 2.642 1.00 0.00 C ATOM 1219 CH2 TRP A 76 -6.902 -11.264 2.051 1.00 0.00 C ATOM 0 H TRP A 76 -4.166 -10.147 9.107 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.992 -9.383 7.074 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.266 -11.147 6.815 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -5.064 -12.142 8.018 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -7.182 -13.495 7.294 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -8.374 -13.941 5.045 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.853 -9.956 4.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -8.297 -12.874 2.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.430 -9.692 2.049 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.150 -11.143 1.007 1.00 0.00 H new