USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 702 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 101 SER OG : rot -25:sc= -1.59! USER MOD Set 1.2: A 112 LYS NZ :NH3+ -159:sc=-0.00278 (180deg=-0.582) USER MOD Set 2.1: A 88 ASN : amide:sc= -1.52 X(o=-1.5,f=-1.1) USER MOD Set 2.2: A 89 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 60 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 67 ASN : amide:sc= -3.22! C(o=-3.2!,f=-6.8!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 23 TYR OH : rot 180:sc= -2.64! USER MOD Single : A 28 SER OG : rot 180:sc= 0.0163 USER MOD Single : A 33 ASN : amide:sc= -0.404 K(o=-0.4,f=-3!) USER MOD Single : A 35 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0662) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.000635 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 24:sc= 0.411 USER MOD Single : A 63 LYS NZ :NH3+ 151:sc= -0.283 (180deg=-1.57!) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.048) USER MOD Single : A 71 LYS NZ :NH3+ 163:sc= -0.0563 (180deg=-0.546) USER MOD Single : A 74 HIS : no HE2:sc= -13! C(o=-13!,f=-22!) USER MOD Single : A 78 LYS NZ :NH3+ -147:sc= -1.02 (180deg=-2.47) USER MOD Single : A 79 TYR OH : rot 28:sc= 1.3 USER MOD Single : A 82 SER OG : rot 38:sc= 0.0602 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 140:sc= -0.301 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 17 0.776 -9.576 -14.195 1.00 0.00 N ATOM 2 CA LEU A 17 1.712 -8.761 -13.385 1.00 0.00 C ATOM 3 C LEU A 17 3.099 -9.387 -13.413 1.00 0.00 C ATOM 4 O LEU A 17 3.567 -9.930 -12.432 1.00 0.00 O ATOM 5 CB LEU A 17 1.212 -8.708 -11.919 1.00 0.00 C ATOM 6 CG LEU A 17 1.773 -7.450 -11.184 1.00 0.00 C ATOM 7 CD1 LEU A 17 0.736 -6.961 -10.172 1.00 0.00 C ATOM 8 CD2 LEU A 17 3.064 -7.809 -10.430 1.00 0.00 C ATOM 0 HA LEU A 17 1.759 -7.754 -13.799 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.122 -8.688 -11.903 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.522 -9.610 -11.392 1.00 0.00 H new ATOM 0 HG LEU A 17 1.986 -6.674 -11.919 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.120 -6.082 -9.654 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.186 -6.702 -10.692 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.534 -7.750 -9.448 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.446 -6.924 -9.921 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.852 -8.587 -9.696 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.810 -8.171 -11.138 1.00 0.00 H new ATOM 22 N GLN A 18 3.728 -9.316 -14.544 1.00 0.00 N ATOM 23 CA GLN A 18 5.082 -9.900 -14.649 1.00 0.00 C ATOM 24 C GLN A 18 6.082 -8.990 -13.968 1.00 0.00 C ATOM 25 O GLN A 18 7.138 -9.414 -13.543 1.00 0.00 O ATOM 26 CB GLN A 18 5.455 -10.024 -16.136 1.00 0.00 C ATOM 27 CG GLN A 18 4.179 -10.026 -16.979 1.00 0.00 C ATOM 28 CD GLN A 18 4.502 -10.539 -18.385 1.00 0.00 C ATOM 29 OE1 GLN A 18 5.599 -10.373 -18.881 1.00 0.00 O ATOM 30 NE2 GLN A 18 3.578 -11.166 -19.057 1.00 0.00 N ATOM 0 H GLN A 18 3.367 -8.883 -15.394 1.00 0.00 H new ATOM 0 HA GLN A 18 5.096 -10.880 -14.172 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.098 -9.195 -16.432 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.018 -10.941 -16.306 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.423 -10.658 -16.514 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.764 -9.020 -17.033 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.656 -11.308 -18.645 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.777 -11.515 -19.995 1.00 0.00 H new ATOM 39 N ASP A 19 5.717 -7.750 -13.878 1.00 0.00 N ATOM 40 CA ASP A 19 6.598 -6.766 -13.238 1.00 0.00 C ATOM 41 C ASP A 19 5.849 -5.473 -13.018 1.00 0.00 C ATOM 42 O ASP A 19 6.210 -4.670 -12.181 1.00 0.00 O ATOM 43 CB ASP A 19 7.756 -6.495 -14.176 1.00 0.00 C ATOM 44 CG ASP A 19 9.074 -6.693 -13.427 1.00 0.00 C ATOM 45 OD1 ASP A 19 9.414 -7.848 -13.227 1.00 0.00 O ATOM 46 OD2 ASP A 19 9.667 -5.681 -13.096 1.00 0.00 O ATOM 0 H ASP A 19 4.834 -7.378 -14.227 1.00 0.00 H new ATOM 0 HA ASP A 19 6.947 -7.150 -12.280 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.708 -7.166 -15.034 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.694 -5.478 -14.563 1.00 0.00 H new ATOM 51 N ALA A 20 4.805 -5.302 -13.777 1.00 0.00 N ATOM 52 CA ALA A 20 3.993 -4.067 -13.648 1.00 0.00 C ATOM 53 C ALA A 20 4.882 -2.825 -13.744 1.00 0.00 C ATOM 54 O ALA A 20 6.093 -2.935 -13.773 1.00 0.00 O ATOM 55 CB ALA A 20 3.302 -4.085 -12.277 1.00 0.00 C ATOM 0 H ALA A 20 4.480 -5.965 -14.481 1.00 0.00 H new ATOM 0 HA ALA A 20 3.259 -4.032 -14.453 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.699 -3.184 -12.162 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.660 -4.963 -12.204 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.056 -4.120 -11.490 1.00 0.00 H new ATOM 61 N GLU A 21 4.267 -1.662 -13.795 1.00 0.00 N ATOM 62 CA GLU A 21 5.072 -0.412 -13.888 1.00 0.00 C ATOM 63 C GLU A 21 5.161 0.268 -12.529 1.00 0.00 C ATOM 64 O GLU A 21 6.216 0.333 -11.933 1.00 0.00 O ATOM 65 CB GLU A 21 4.387 0.550 -14.883 1.00 0.00 C ATOM 66 CG GLU A 21 3.152 -0.124 -15.485 1.00 0.00 C ATOM 67 CD GLU A 21 2.520 0.812 -16.518 1.00 0.00 C ATOM 68 OE1 GLU A 21 1.926 1.783 -16.078 1.00 0.00 O ATOM 69 OE2 GLU A 21 2.667 0.504 -17.690 1.00 0.00 O ATOM 0 H GLU A 21 3.255 -1.532 -13.776 1.00 0.00 H new ATOM 0 HA GLU A 21 6.078 -0.663 -14.226 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.099 1.470 -14.375 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.084 0.827 -15.674 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.431 -1.068 -15.954 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.432 -0.358 -14.701 1.00 0.00 H new ATOM 76 N TRP A 22 4.046 0.759 -12.067 1.00 0.00 N ATOM 77 CA TRP A 22 4.033 1.442 -10.745 1.00 0.00 C ATOM 78 C TRP A 22 4.860 0.668 -9.723 1.00 0.00 C ATOM 79 O TRP A 22 5.316 1.214 -8.738 1.00 0.00 O ATOM 80 CB TRP A 22 2.587 1.523 -10.262 1.00 0.00 C ATOM 81 CG TRP A 22 1.654 1.089 -11.406 1.00 0.00 C ATOM 82 CD1 TRP A 22 1.213 1.912 -12.336 1.00 0.00 C ATOM 83 CD2 TRP A 22 1.219 -0.140 -11.613 1.00 0.00 C ATOM 84 NE1 TRP A 22 0.471 1.125 -13.139 1.00 0.00 N ATOM 85 CE2 TRP A 22 0.427 -0.199 -12.748 1.00 0.00 C ATOM 86 CE3 TRP A 22 1.445 -1.290 -10.882 1.00 0.00 C ATOM 87 CZ2 TRP A 22 -0.130 -1.402 -13.140 1.00 0.00 C ATOM 88 CZ3 TRP A 22 0.885 -2.483 -11.277 1.00 0.00 C ATOM 89 CH2 TRP A 22 0.102 -2.539 -12.404 1.00 0.00 C ATOM 0 H TRP A 22 3.146 0.717 -12.546 1.00 0.00 H new ATOM 0 HA TRP A 22 4.465 2.437 -10.852 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.443 0.880 -9.394 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.351 2.540 -9.948 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.402 2.971 -12.432 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -0.016 1.476 -13.964 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.063 -1.253 -9.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.748 -1.448 -14.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.062 -3.378 -10.699 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.332 -3.479 -12.712 1.00 0.00 H new ATOM 100 N TYR A 23 5.031 -0.592 -9.985 1.00 0.00 N ATOM 101 CA TYR A 23 5.823 -1.448 -9.059 1.00 0.00 C ATOM 102 C TYR A 23 7.278 -1.488 -9.509 1.00 0.00 C ATOM 103 O TYR A 23 7.562 -1.752 -10.659 1.00 0.00 O ATOM 104 CB TYR A 23 5.255 -2.874 -9.132 1.00 0.00 C ATOM 105 CG TYR A 23 4.007 -3.024 -8.231 1.00 0.00 C ATOM 106 CD1 TYR A 23 3.236 -1.926 -7.839 1.00 0.00 C ATOM 107 CD2 TYR A 23 3.627 -4.280 -7.808 1.00 0.00 C ATOM 108 CE1 TYR A 23 2.124 -2.104 -7.047 1.00 0.00 C ATOM 109 CE2 TYR A 23 2.514 -4.449 -7.020 1.00 0.00 C ATOM 110 CZ TYR A 23 1.754 -3.370 -6.633 1.00 0.00 C ATOM 111 OH TYR A 23 0.639 -3.557 -5.848 1.00 0.00 O ATOM 0 H TYR A 23 4.656 -1.071 -10.804 1.00 0.00 H new ATOM 0 HA TYR A 23 5.767 -1.050 -8.046 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.994 -3.112 -10.163 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.018 -3.589 -8.823 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.514 -0.933 -8.159 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.211 -5.141 -8.099 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.537 -1.249 -6.747 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.233 -5.442 -6.701 1.00 0.00 H new ATOM 0 HH TYR A 23 0.532 -4.512 -5.654 1.00 0.00 H new ATOM 121 N TRP A 24 8.179 -1.228 -8.602 1.00 0.00 N ATOM 122 CA TRP A 24 9.611 -1.253 -8.987 1.00 0.00 C ATOM 123 C TRP A 24 10.173 -2.645 -8.798 1.00 0.00 C ATOM 124 O TRP A 24 11.246 -2.959 -9.272 1.00 0.00 O ATOM 125 CB TRP A 24 10.416 -0.330 -8.052 1.00 0.00 C ATOM 126 CG TRP A 24 9.995 1.152 -8.179 1.00 0.00 C ATOM 127 CD1 TRP A 24 8.799 1.589 -8.584 1.00 0.00 C ATOM 128 CD2 TRP A 24 10.768 2.164 -7.836 1.00 0.00 C ATOM 129 NE1 TRP A 24 8.889 2.921 -8.462 1.00 0.00 N ATOM 130 CE2 TRP A 24 10.110 3.367 -7.996 1.00 0.00 C ATOM 131 CE3 TRP A 24 12.078 2.160 -7.366 1.00 0.00 C ATOM 132 CZ2 TRP A 24 10.745 4.548 -7.695 1.00 0.00 C ATOM 133 CZ3 TRP A 24 12.707 3.348 -7.067 1.00 0.00 C ATOM 134 CH2 TRP A 24 12.042 4.540 -7.230 1.00 0.00 C ATOM 0 H TRP A 24 7.987 -1.003 -7.626 1.00 0.00 H new ATOM 0 HA TRP A 24 9.686 -0.934 -10.027 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.281 -0.656 -7.021 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.478 -0.424 -8.280 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.958 1.006 -8.929 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.121 3.551 -8.694 1.00 0.00 H new ATOM 0 HE3 TRP A 24 12.602 1.224 -7.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.225 5.486 -7.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 13.724 3.343 -6.704 1.00 0.00 H new ATOM 0 HH2 TRP A 24 12.536 5.471 -6.993 1.00 0.00 H new ATOM 145 N GLY A 25 9.429 -3.449 -8.100 1.00 0.00 N ATOM 146 CA GLY A 25 9.874 -4.840 -7.841 1.00 0.00 C ATOM 147 C GLY A 25 10.213 -4.963 -6.361 1.00 0.00 C ATOM 148 O GLY A 25 11.039 -5.757 -5.966 1.00 0.00 O ATOM 0 H GLY A 25 8.526 -3.201 -7.695 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.089 -5.547 -8.111 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.744 -5.081 -8.452 1.00 0.00 H new ATOM 152 N ASP A 26 9.551 -4.150 -5.579 1.00 0.00 N ATOM 153 CA ASP A 26 9.772 -4.152 -4.103 1.00 0.00 C ATOM 154 C ASP A 26 11.099 -3.501 -3.734 1.00 0.00 C ATOM 155 O ASP A 26 12.133 -3.842 -4.276 1.00 0.00 O ATOM 156 CB ASP A 26 9.768 -5.609 -3.587 1.00 0.00 C ATOM 157 CG ASP A 26 11.201 -6.059 -3.259 1.00 0.00 C ATOM 158 OD1 ASP A 26 11.709 -5.569 -2.264 1.00 0.00 O ATOM 159 OD2 ASP A 26 11.700 -6.875 -4.016 1.00 0.00 O ATOM 0 H ASP A 26 8.858 -3.476 -5.905 1.00 0.00 H new ATOM 0 HA ASP A 26 8.968 -3.578 -3.642 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.142 -5.686 -2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.335 -6.268 -4.340 1.00 0.00 H new ATOM 164 N ILE A 27 11.040 -2.558 -2.819 1.00 0.00 N ATOM 165 CA ILE A 27 12.292 -1.867 -2.394 1.00 0.00 C ATOM 166 C ILE A 27 12.298 -1.652 -0.878 1.00 0.00 C ATOM 167 O ILE A 27 12.278 -2.599 -0.117 1.00 0.00 O ATOM 168 CB ILE A 27 12.407 -0.496 -3.099 1.00 0.00 C ATOM 169 CG1 ILE A 27 11.099 0.326 -2.946 1.00 0.00 C ATOM 170 CG2 ILE A 27 12.737 -0.723 -4.596 1.00 0.00 C ATOM 171 CD1 ILE A 27 10.106 0.068 -4.095 1.00 0.00 C ATOM 0 H ILE A 27 10.187 -2.244 -2.356 1.00 0.00 H new ATOM 0 HA ILE A 27 13.139 -2.495 -2.671 1.00 0.00 H new ATOM 0 HB ILE A 27 13.208 0.077 -2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.625 0.076 -1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.342 1.388 -2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.820 0.240 -5.100 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.681 -1.261 -4.683 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.942 -1.308 -5.059 1.00 0.00 H new ATOM 0 HD11 ILE A 27 9.208 0.666 -3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.567 0.343 -5.043 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.839 -0.989 -4.115 1.00 0.00 H new ATOM 183 N SER A 28 12.323 -0.414 -0.468 1.00 0.00 N ATOM 184 CA SER A 28 12.330 -0.120 0.980 1.00 0.00 C ATOM 185 C SER A 28 11.788 1.276 1.243 1.00 0.00 C ATOM 186 O SER A 28 11.464 2.002 0.323 1.00 0.00 O ATOM 187 CB SER A 28 13.781 -0.183 1.478 1.00 0.00 C ATOM 188 OG SER A 28 14.423 0.893 0.808 1.00 0.00 O ATOM 0 H SER A 28 12.339 0.403 -1.079 1.00 0.00 H new ATOM 0 HA SER A 28 11.704 -0.847 1.497 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.836 -0.069 2.561 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.245 -1.139 1.234 1.00 0.00 H new ATOM 0 HG SER A 28 15.366 0.927 1.073 1.00 0.00 H new ATOM 194 N ARG A 29 11.699 1.631 2.492 1.00 0.00 N ATOM 195 CA ARG A 29 11.183 2.973 2.829 1.00 0.00 C ATOM 196 C ARG A 29 12.173 4.033 2.406 1.00 0.00 C ATOM 197 O ARG A 29 11.847 5.200 2.336 1.00 0.00 O ATOM 198 CB ARG A 29 10.937 3.057 4.362 1.00 0.00 C ATOM 199 CG ARG A 29 12.184 2.575 5.145 1.00 0.00 C ATOM 200 CD ARG A 29 13.057 3.770 5.526 1.00 0.00 C ATOM 201 NE ARG A 29 12.656 4.255 6.877 1.00 0.00 N ATOM 202 CZ ARG A 29 13.534 4.251 7.844 1.00 0.00 C ATOM 203 NH1 ARG A 29 14.667 4.873 7.669 1.00 0.00 N ATOM 204 NH2 ARG A 29 13.249 3.624 8.954 1.00 0.00 N ATOM 0 H ARG A 29 11.961 1.049 3.288 1.00 0.00 H new ATOM 0 HA ARG A 29 10.245 3.143 2.300 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.701 4.084 4.641 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.075 2.447 4.631 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.875 2.039 6.043 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.757 1.875 4.537 1.00 0.00 H new ATOM 0 HD2 ARG A 29 14.108 3.483 5.526 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.945 4.567 4.791 1.00 0.00 H new ATOM 0 HE ARG A 29 11.706 4.587 7.045 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.855 5.352 6.788 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.365 4.881 8.413 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.353 3.148 9.055 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.923 3.611 9.720 1.00 0.00 H new ATOM 218 N GLU A 30 13.370 3.614 2.122 1.00 0.00 N ATOM 219 CA GLU A 30 14.388 4.592 1.698 1.00 0.00 C ATOM 220 C GLU A 30 14.093 5.067 0.292 1.00 0.00 C ATOM 221 O GLU A 30 13.964 6.245 0.050 1.00 0.00 O ATOM 222 CB GLU A 30 15.765 3.915 1.709 1.00 0.00 C ATOM 223 CG GLU A 30 15.903 3.089 2.979 1.00 0.00 C ATOM 224 CD GLU A 30 17.349 2.608 3.117 1.00 0.00 C ATOM 225 OE1 GLU A 30 17.701 1.725 2.353 1.00 0.00 O ATOM 226 OE2 GLU A 30 18.019 3.151 3.978 1.00 0.00 O ATOM 0 H GLU A 30 13.681 2.644 2.166 1.00 0.00 H new ATOM 0 HA GLU A 30 14.375 5.442 2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.878 3.278 0.832 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.554 4.666 1.661 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.622 3.686 3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.226 2.236 2.947 1.00 0.00 H new ATOM 233 N GLU A 31 13.978 4.135 -0.617 1.00 0.00 N ATOM 234 CA GLU A 31 13.690 4.522 -2.011 1.00 0.00 C ATOM 235 C GLU A 31 12.269 5.036 -2.124 1.00 0.00 C ATOM 236 O GLU A 31 12.037 6.124 -2.604 1.00 0.00 O ATOM 237 CB GLU A 31 13.844 3.283 -2.899 1.00 0.00 C ATOM 238 CG GLU A 31 15.326 2.978 -3.077 1.00 0.00 C ATOM 239 CD GLU A 31 15.838 3.668 -4.345 1.00 0.00 C ATOM 240 OE1 GLU A 31 15.710 3.047 -5.388 1.00 0.00 O ATOM 241 OE2 GLU A 31 16.325 4.777 -4.199 1.00 0.00 O ATOM 0 H GLU A 31 14.072 3.133 -0.448 1.00 0.00 H new ATOM 0 HA GLU A 31 14.379 5.307 -2.323 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.336 2.431 -2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.376 3.455 -3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.887 3.325 -2.209 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.481 1.901 -3.147 1.00 0.00 H new ATOM 248 N VAL A 32 11.341 4.246 -1.666 1.00 0.00 N ATOM 249 CA VAL A 32 9.922 4.679 -1.739 1.00 0.00 C ATOM 250 C VAL A 32 9.784 6.119 -1.256 1.00 0.00 C ATOM 251 O VAL A 32 9.426 7.003 -2.005 1.00 0.00 O ATOM 252 CB VAL A 32 9.083 3.774 -0.803 1.00 0.00 C ATOM 253 CG1 VAL A 32 7.789 4.512 -0.403 1.00 0.00 C ATOM 254 CG2 VAL A 32 8.727 2.467 -1.528 1.00 0.00 C ATOM 0 H VAL A 32 11.501 3.329 -1.249 1.00 0.00 H new ATOM 0 HA VAL A 32 9.578 4.606 -2.771 1.00 0.00 H new ATOM 0 HB VAL A 32 9.662 3.542 0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.197 3.877 0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.043 5.436 0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.212 4.745 -1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.137 1.833 -0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.149 2.694 -2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.642 1.946 -1.809 1.00 0.00 H new ATOM 264 N ASN A 33 10.083 6.319 -0.002 1.00 0.00 N ATOM 265 CA ASN A 33 9.983 7.687 0.583 1.00 0.00 C ATOM 266 C ASN A 33 10.837 8.726 -0.158 1.00 0.00 C ATOM 267 O ASN A 33 10.313 9.618 -0.802 1.00 0.00 O ATOM 268 CB ASN A 33 10.474 7.614 2.037 1.00 0.00 C ATOM 269 CG ASN A 33 9.991 8.853 2.797 1.00 0.00 C ATOM 270 OD1 ASN A 33 10.110 9.967 2.328 1.00 0.00 O ATOM 271 ND2 ASN A 33 9.440 8.702 3.972 1.00 0.00 N ATOM 0 H ASN A 33 10.393 5.593 0.644 1.00 0.00 H new ATOM 0 HA ASN A 33 8.943 8.005 0.504 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.097 6.710 2.515 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.562 7.558 2.063 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.112 9.517 4.490 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.337 7.769 4.371 1.00 0.00 H new ATOM 278 N GLU A 34 12.133 8.594 -0.042 1.00 0.00 N ATOM 279 CA GLU A 34 13.050 9.561 -0.723 1.00 0.00 C ATOM 280 C GLU A 34 12.549 9.993 -2.092 1.00 0.00 C ATOM 281 O GLU A 34 12.910 11.053 -2.567 1.00 0.00 O ATOM 282 CB GLU A 34 14.426 8.906 -0.884 1.00 0.00 C ATOM 283 CG GLU A 34 14.997 8.606 0.504 1.00 0.00 C ATOM 284 CD GLU A 34 15.673 9.863 1.057 1.00 0.00 C ATOM 285 OE1 GLU A 34 14.931 10.753 1.440 1.00 0.00 O ATOM 286 OE2 GLU A 34 16.893 9.862 1.064 1.00 0.00 O ATOM 0 H GLU A 34 12.597 7.860 0.494 1.00 0.00 H new ATOM 0 HA GLU A 34 13.100 10.454 -0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.341 7.987 -1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.097 9.567 -1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.201 8.282 1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 34 15.716 7.789 0.445 1.00 0.00 H new ATOM 293 N LYS A 35 11.733 9.191 -2.711 1.00 0.00 N ATOM 294 CA LYS A 35 11.229 9.591 -4.048 1.00 0.00 C ATOM 295 C LYS A 35 9.938 10.363 -3.925 1.00 0.00 C ATOM 296 O LYS A 35 9.744 11.370 -4.575 1.00 0.00 O ATOM 297 CB LYS A 35 10.971 8.340 -4.881 1.00 0.00 C ATOM 298 CG LYS A 35 11.601 8.517 -6.268 1.00 0.00 C ATOM 299 CD LYS A 35 10.845 9.607 -7.040 1.00 0.00 C ATOM 300 CE LYS A 35 11.408 9.690 -8.462 1.00 0.00 C ATOM 301 NZ LYS A 35 12.769 10.301 -8.450 1.00 0.00 N ATOM 0 H LYS A 35 11.399 8.294 -2.358 1.00 0.00 H new ATOM 0 HA LYS A 35 11.978 10.223 -4.525 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.393 7.466 -4.386 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.899 8.166 -4.975 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.652 8.789 -6.169 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.565 7.576 -6.818 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.780 9.378 -7.069 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.951 10.568 -6.536 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.454 8.693 -8.900 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.742 10.283 -9.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.080 10.475 -9.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.741 11.201 -7.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.436 9.653 -7.984 1.00 0.00 H new ATOM 315 N LEU A 36 9.083 9.879 -3.092 1.00 0.00 N ATOM 316 CA LEU A 36 7.788 10.561 -2.897 1.00 0.00 C ATOM 317 C LEU A 36 7.967 11.829 -2.082 1.00 0.00 C ATOM 318 O LEU A 36 7.007 12.491 -1.735 1.00 0.00 O ATOM 319 CB LEU A 36 6.858 9.603 -2.149 1.00 0.00 C ATOM 320 CG LEU A 36 6.025 8.823 -3.169 1.00 0.00 C ATOM 321 CD1 LEU A 36 6.954 8.037 -4.093 1.00 0.00 C ATOM 322 CD2 LEU A 36 5.107 7.841 -2.431 1.00 0.00 C ATOM 0 H LEU A 36 9.222 9.037 -2.533 1.00 0.00 H new ATOM 0 HA LEU A 36 7.368 10.835 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.440 8.917 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.206 10.160 -1.476 1.00 0.00 H new ATOM 0 HG LEU A 36 5.427 9.520 -3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.360 7.482 -4.819 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.615 8.727 -4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.550 7.341 -3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.513 7.284 -3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.711 7.147 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.444 8.393 -1.765 1.00 0.00 H new ATOM 334 N ARG A 37 9.198 12.142 -1.787 1.00 0.00 N ATOM 335 CA ARG A 37 9.481 13.353 -1.001 1.00 0.00 C ATOM 336 C ARG A 37 8.622 14.521 -1.438 1.00 0.00 C ATOM 337 O ARG A 37 7.705 14.911 -0.741 1.00 0.00 O ATOM 338 CB ARG A 37 10.958 13.706 -1.243 1.00 0.00 C ATOM 339 CG ARG A 37 11.816 13.366 -0.012 1.00 0.00 C ATOM 340 CD ARG A 37 12.079 14.653 0.780 1.00 0.00 C ATOM 341 NE ARG A 37 12.418 14.305 2.188 1.00 0.00 N ATOM 342 CZ ARG A 37 12.023 15.096 3.151 1.00 0.00 C ATOM 343 NH1 ARG A 37 10.746 15.188 3.406 1.00 0.00 N ATOM 344 NH2 ARG A 37 12.916 15.772 3.822 1.00 0.00 N ATOM 0 H ARG A 37 10.018 11.602 -2.063 1.00 0.00 H new ATOM 0 HA ARG A 37 9.266 13.162 0.050 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.328 13.160 -2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.049 14.768 -1.472 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.304 12.636 0.615 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.759 12.915 -0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.896 15.213 0.325 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.199 15.296 0.754 1.00 0.00 H new ATOM 0 HE ARG A 37 12.951 13.461 2.398 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.076 14.648 2.858 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.418 15.800 4.153 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.905 15.679 3.592 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.624 16.394 4.576 1.00 0.00 H new ATOM 358 N ASP A 38 8.934 15.057 -2.573 1.00 0.00 N ATOM 359 CA ASP A 38 8.144 16.212 -3.082 1.00 0.00 C ATOM 360 C ASP A 38 7.848 16.074 -4.565 1.00 0.00 C ATOM 361 O ASP A 38 8.348 16.833 -5.372 1.00 0.00 O ATOM 362 CB ASP A 38 8.970 17.489 -2.861 1.00 0.00 C ATOM 363 CG ASP A 38 8.258 18.673 -3.520 1.00 0.00 C ATOM 364 OD1 ASP A 38 7.203 19.022 -3.014 1.00 0.00 O ATOM 365 OD2 ASP A 38 8.808 19.162 -4.493 1.00 0.00 O ATOM 0 H ASP A 38 9.699 14.751 -3.174 1.00 0.00 H new ATOM 0 HA ASP A 38 7.195 16.251 -2.548 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.096 17.674 -1.794 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.967 17.368 -3.284 1.00 0.00 H new ATOM 370 N THR A 39 7.043 15.102 -4.905 1.00 0.00 N ATOM 371 CA THR A 39 6.707 14.910 -6.344 1.00 0.00 C ATOM 372 C THR A 39 5.258 14.464 -6.526 1.00 0.00 C ATOM 373 O THR A 39 4.808 13.518 -5.911 1.00 0.00 O ATOM 374 CB THR A 39 7.630 13.837 -6.930 1.00 0.00 C ATOM 375 OG1 THR A 39 7.036 13.465 -8.157 1.00 0.00 O ATOM 376 CG2 THR A 39 7.597 12.562 -6.085 1.00 0.00 C ATOM 0 H THR A 39 6.610 14.442 -4.259 1.00 0.00 H new ATOM 0 HA THR A 39 6.840 15.863 -6.856 1.00 0.00 H new ATOM 0 HB THR A 39 8.647 14.223 -6.995 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.582 12.776 -8.589 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.261 11.817 -6.524 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.926 12.789 -5.071 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.580 12.170 -6.057 1.00 0.00 H new ATOM 384 N ALA A 40 4.559 15.170 -7.370 1.00 0.00 N ATOM 385 CA ALA A 40 3.134 14.830 -7.630 1.00 0.00 C ATOM 386 C ALA A 40 2.296 14.849 -6.353 1.00 0.00 C ATOM 387 O ALA A 40 2.779 14.548 -5.281 1.00 0.00 O ATOM 388 CB ALA A 40 3.081 13.417 -8.228 1.00 0.00 C ATOM 0 H ALA A 40 4.915 15.970 -7.892 1.00 0.00 H new ATOM 0 HA ALA A 40 2.723 15.575 -8.311 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.045 13.145 -8.427 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.648 13.394 -9.159 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.513 12.707 -7.523 1.00 0.00 H new ATOM 394 N ASP A 41 1.043 15.205 -6.506 1.00 0.00 N ATOM 395 CA ASP A 41 0.133 15.258 -5.334 1.00 0.00 C ATOM 396 C ASP A 41 -0.771 14.037 -5.343 1.00 0.00 C ATOM 397 O ASP A 41 -1.979 14.148 -5.419 1.00 0.00 O ATOM 398 CB ASP A 41 -0.731 16.519 -5.449 1.00 0.00 C ATOM 399 CG ASP A 41 -1.639 16.625 -4.223 1.00 0.00 C ATOM 400 OD1 ASP A 41 -1.081 16.652 -3.139 1.00 0.00 O ATOM 401 OD2 ASP A 41 -2.839 16.670 -4.439 1.00 0.00 O ATOM 0 H ASP A 41 0.617 15.460 -7.397 1.00 0.00 H new ATOM 0 HA ASP A 41 0.712 15.276 -4.411 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.097 17.402 -5.523 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.331 16.480 -6.358 1.00 0.00 H new ATOM 406 N GLY A 42 -0.160 12.897 -5.267 1.00 0.00 N ATOM 407 CA GLY A 42 -0.936 11.629 -5.272 1.00 0.00 C ATOM 408 C GLY A 42 -0.141 10.591 -6.045 1.00 0.00 C ATOM 409 O GLY A 42 -0.505 10.212 -7.142 1.00 0.00 O ATOM 0 H GLY A 42 0.852 12.784 -5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.115 11.289 -4.252 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.912 11.782 -5.733 1.00 0.00 H new ATOM 413 N THR A 43 0.934 10.149 -5.457 1.00 0.00 N ATOM 414 CA THR A 43 1.780 9.131 -6.146 1.00 0.00 C ATOM 415 C THR A 43 1.454 7.723 -5.672 1.00 0.00 C ATOM 416 O THR A 43 0.679 7.549 -4.761 1.00 0.00 O ATOM 417 CB THR A 43 3.229 9.435 -5.787 1.00 0.00 C ATOM 418 OG1 THR A 43 3.268 10.825 -5.539 1.00 0.00 O ATOM 419 CG2 THR A 43 4.155 9.233 -6.987 1.00 0.00 C ATOM 0 H THR A 43 1.263 10.444 -4.538 1.00 0.00 H new ATOM 0 HA THR A 43 1.599 9.178 -7.220 1.00 0.00 H new ATOM 0 HB THR A 43 3.540 8.796 -4.960 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.181 11.089 -5.299 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.181 9.458 -6.697 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.092 8.199 -7.325 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.853 9.898 -7.796 1.00 0.00 H new ATOM 427 N PHE A 44 2.062 6.729 -6.300 1.00 0.00 N ATOM 428 CA PHE A 44 1.777 5.335 -5.871 1.00 0.00 C ATOM 429 C PHE A 44 2.766 4.317 -6.440 1.00 0.00 C ATOM 430 O PHE A 44 3.052 4.298 -7.620 1.00 0.00 O ATOM 431 CB PHE A 44 0.355 4.969 -6.309 1.00 0.00 C ATOM 432 CG PHE A 44 0.280 4.816 -7.829 1.00 0.00 C ATOM 433 CD1 PHE A 44 0.386 5.917 -8.657 1.00 0.00 C ATOM 434 CD2 PHE A 44 0.023 3.581 -8.390 1.00 0.00 C ATOM 435 CE1 PHE A 44 0.228 5.779 -10.021 1.00 0.00 C ATOM 436 CE2 PHE A 44 -0.136 3.448 -9.749 1.00 0.00 C ATOM 437 CZ PHE A 44 -0.033 4.541 -10.563 1.00 0.00 C ATOM 0 H PHE A 44 2.724 6.831 -7.069 1.00 0.00 H new ATOM 0 HA PHE A 44 1.880 5.297 -4.787 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.049 4.039 -5.829 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.342 5.741 -5.981 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.593 6.889 -8.235 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.054 2.711 -7.755 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.309 6.643 -10.664 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.343 2.477 -10.175 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.156 4.433 -11.631 1.00 0.00 H new ATOM 447 N LEU A 45 3.264 3.483 -5.553 1.00 0.00 N ATOM 448 CA LEU A 45 4.231 2.439 -5.945 1.00 0.00 C ATOM 449 C LEU A 45 4.063 1.252 -4.984 1.00 0.00 C ATOM 450 O LEU A 45 2.992 1.088 -4.422 1.00 0.00 O ATOM 451 CB LEU A 45 5.677 3.010 -5.875 1.00 0.00 C ATOM 452 CG LEU A 45 5.839 3.962 -4.685 1.00 0.00 C ATOM 453 CD1 LEU A 45 5.525 3.235 -3.379 1.00 0.00 C ATOM 454 CD2 LEU A 45 7.290 4.425 -4.632 1.00 0.00 C ATOM 0 H LEU A 45 3.028 3.493 -4.561 1.00 0.00 H new ATOM 0 HA LEU A 45 4.051 2.109 -6.968 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.391 2.191 -5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.908 3.538 -6.800 1.00 0.00 H new ATOM 0 HG LEU A 45 5.158 4.805 -4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.644 3.923 -2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.499 2.868 -3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.208 2.394 -3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.425 5.104 -3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.943 3.561 -4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.541 4.941 -5.559 1.00 0.00 H new ATOM 466 N VAL A 46 5.096 0.452 -4.790 1.00 0.00 N ATOM 467 CA VAL A 46 4.941 -0.710 -3.854 1.00 0.00 C ATOM 468 C VAL A 46 6.086 -0.808 -2.857 1.00 0.00 C ATOM 469 O VAL A 46 7.137 -0.234 -3.036 1.00 0.00 O ATOM 470 CB VAL A 46 4.852 -2.016 -4.693 1.00 0.00 C ATOM 471 CG1 VAL A 46 6.070 -2.936 -4.453 1.00 0.00 C ATOM 472 CG2 VAL A 46 3.597 -2.763 -4.271 1.00 0.00 C ATOM 0 H VAL A 46 6.012 0.551 -5.227 1.00 0.00 H new ATOM 0 HA VAL A 46 4.030 -0.562 -3.274 1.00 0.00 H new ATOM 0 HB VAL A 46 4.830 -1.748 -5.749 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.970 -3.838 -5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.983 -2.411 -4.733 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.117 -3.209 -3.399 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.512 -3.685 -4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.656 -3.002 -3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.723 -2.138 -4.455 1.00 0.00 H new ATOM 482 N ARG A 47 5.832 -1.549 -1.818 1.00 0.00 N ATOM 483 CA ARG A 47 6.833 -1.745 -0.766 1.00 0.00 C ATOM 484 C ARG A 47 6.800 -3.215 -0.332 1.00 0.00 C ATOM 485 O ARG A 47 5.739 -3.766 -0.126 1.00 0.00 O ATOM 486 CB ARG A 47 6.444 -0.831 0.428 1.00 0.00 C ATOM 487 CG ARG A 47 7.160 -1.264 1.736 1.00 0.00 C ATOM 488 CD ARG A 47 8.681 -1.224 1.546 1.00 0.00 C ATOM 489 NE ARG A 47 9.330 -1.637 2.822 1.00 0.00 N ATOM 490 CZ ARG A 47 9.278 -0.843 3.856 1.00 0.00 C ATOM 491 NH1 ARG A 47 8.212 -0.859 4.608 1.00 0.00 N ATOM 492 NH2 ARG A 47 10.292 -0.062 4.102 1.00 0.00 N ATOM 0 H ARG A 47 4.948 -2.034 -1.661 1.00 0.00 H new ATOM 0 HA ARG A 47 7.835 -1.497 -1.116 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.703 0.202 0.196 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.365 -0.864 0.575 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.871 -0.603 2.553 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.847 -2.270 2.014 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.979 -1.891 0.737 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.001 -0.220 1.266 1.00 0.00 H new ATOM 0 HE ARG A 47 9.811 -2.534 2.887 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.439 -1.485 4.383 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.152 -0.246 5.421 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.108 -0.078 3.491 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.269 0.565 4.906 1.00 0.00 H new ATOM 506 N ASP A 48 7.946 -3.827 -0.217 1.00 0.00 N ATOM 507 CA ASP A 48 7.964 -5.259 0.204 1.00 0.00 C ATOM 508 C ASP A 48 6.987 -5.508 1.341 1.00 0.00 C ATOM 509 O ASP A 48 6.746 -4.642 2.158 1.00 0.00 O ATOM 510 CB ASP A 48 9.374 -5.602 0.680 1.00 0.00 C ATOM 511 CG ASP A 48 9.390 -7.034 1.222 1.00 0.00 C ATOM 512 OD1 ASP A 48 9.083 -7.172 2.395 1.00 0.00 O ATOM 513 OD2 ASP A 48 9.707 -7.908 0.432 1.00 0.00 O ATOM 0 H ASP A 48 8.859 -3.407 -0.393 1.00 0.00 H new ATOM 0 HA ASP A 48 7.672 -5.880 -0.643 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.082 -5.504 -0.143 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.688 -4.904 1.456 1.00 0.00 H new ATOM 518 N ALA A 49 6.436 -6.692 1.376 1.00 0.00 N ATOM 519 CA ALA A 49 5.470 -7.005 2.461 1.00 0.00 C ATOM 520 C ALA A 49 6.192 -7.522 3.701 1.00 0.00 C ATOM 521 O ALA A 49 7.133 -8.284 3.608 1.00 0.00 O ATOM 522 CB ALA A 49 4.509 -8.094 1.960 1.00 0.00 C ATOM 0 H ALA A 49 6.611 -7.444 0.710 1.00 0.00 H new ATOM 0 HA ALA A 49 4.929 -6.096 2.725 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.792 -8.336 2.745 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.976 -7.732 1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.076 -8.987 1.698 1.00 0.00 H new ATOM 616 N ASP A 56 2.563 -10.680 -0.376 1.00 0.00 N ATOM 617 CA ASP A 56 3.023 -10.019 -1.618 1.00 0.00 C ATOM 618 C ASP A 56 3.836 -8.746 -1.289 1.00 0.00 C ATOM 619 O ASP A 56 5.028 -8.824 -1.070 1.00 0.00 O ATOM 620 CB ASP A 56 1.767 -9.674 -2.443 1.00 0.00 C ATOM 621 CG ASP A 56 1.653 -10.649 -3.618 1.00 0.00 C ATOM 622 OD1 ASP A 56 2.381 -10.433 -4.573 1.00 0.00 O ATOM 623 OD2 ASP A 56 0.845 -11.554 -3.494 1.00 0.00 O ATOM 0 HA ASP A 56 3.681 -10.678 -2.185 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.877 -9.736 -1.816 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.828 -8.649 -2.810 1.00 0.00 H new ATOM 628 N TYR A 57 3.185 -7.604 -1.263 1.00 0.00 N ATOM 629 CA TYR A 57 3.919 -6.351 -0.949 1.00 0.00 C ATOM 630 C TYR A 57 3.058 -5.415 -0.121 1.00 0.00 C ATOM 631 O TYR A 57 2.278 -5.846 0.707 1.00 0.00 O ATOM 632 CB TYR A 57 4.287 -5.654 -2.271 1.00 0.00 C ATOM 633 CG TYR A 57 4.939 -6.676 -3.203 1.00 0.00 C ATOM 634 CD1 TYR A 57 4.170 -7.463 -4.012 1.00 0.00 C ATOM 635 CD2 TYR A 57 6.298 -6.877 -3.181 1.00 0.00 C ATOM 636 CE1 TYR A 57 4.742 -8.450 -4.779 1.00 0.00 C ATOM 637 CE2 TYR A 57 6.876 -7.861 -3.939 1.00 0.00 C ATOM 638 CZ TYR A 57 6.104 -8.658 -4.751 1.00 0.00 C ATOM 639 OH TYR A 57 6.680 -9.648 -5.522 1.00 0.00 O ATOM 0 H TYR A 57 2.187 -7.494 -1.445 1.00 0.00 H new ATOM 0 HA TYR A 57 4.814 -6.597 -0.378 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.396 -5.234 -2.737 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.970 -4.825 -2.083 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.102 -7.308 -4.050 1.00 0.00 H new ATOM 0 HD2 TYR A 57 6.919 -6.251 -2.558 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.119 -9.068 -5.409 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.945 -8.012 -3.898 1.00 0.00 H new ATOM 0 HH TYR A 57 7.649 -9.652 -5.378 1.00 0.00 H new ATOM 649 N THR A 58 3.218 -4.155 -0.356 1.00 0.00 N ATOM 650 CA THR A 58 2.432 -3.165 0.395 1.00 0.00 C ATOM 651 C THR A 58 2.194 -1.920 -0.447 1.00 0.00 C ATOM 652 O THR A 58 3.104 -1.159 -0.708 1.00 0.00 O ATOM 653 CB THR A 58 3.222 -2.781 1.632 1.00 0.00 C ATOM 654 OG1 THR A 58 2.803 -3.681 2.638 1.00 0.00 O ATOM 655 CG2 THR A 58 2.803 -1.404 2.145 1.00 0.00 C ATOM 0 H THR A 58 3.865 -3.767 -1.042 1.00 0.00 H new ATOM 0 HA THR A 58 1.466 -3.593 0.662 1.00 0.00 H new ATOM 0 HB THR A 58 4.288 -2.792 1.405 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.450 -4.495 2.222 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.385 -1.154 3.032 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.982 -0.658 1.371 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.743 -1.417 2.398 1.00 0.00 H new ATOM 663 N LEU A 59 0.977 -1.741 -0.867 1.00 0.00 N ATOM 664 CA LEU A 59 0.663 -0.554 -1.692 1.00 0.00 C ATOM 665 C LEU A 59 0.872 0.720 -0.889 1.00 0.00 C ATOM 666 O LEU A 59 0.242 0.915 0.128 1.00 0.00 O ATOM 667 CB LEU A 59 -0.818 -0.643 -2.114 1.00 0.00 C ATOM 668 CG LEU A 59 -0.947 -0.476 -3.632 1.00 0.00 C ATOM 669 CD1 LEU A 59 -0.570 -1.785 -4.320 1.00 0.00 C ATOM 670 CD2 LEU A 59 -2.399 -0.143 -3.976 1.00 0.00 C ATOM 0 H LEU A 59 0.192 -2.363 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 59 1.318 -0.530 -2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.233 -1.604 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.396 0.129 -1.606 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.287 0.324 -3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.661 -1.668 -5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.458 -2.045 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.237 -2.578 -3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.499 -0.023 -5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.047 -0.952 -3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.687 0.783 -3.479 1.00 0.00 H new ATOM 682 N THR A 60 1.764 1.561 -1.360 1.00 0.00 N ATOM 683 CA THR A 60 2.029 2.832 -0.637 1.00 0.00 C ATOM 684 C THR A 60 1.879 4.014 -1.579 1.00 0.00 C ATOM 685 O THR A 60 2.363 3.982 -2.690 1.00 0.00 O ATOM 686 CB THR A 60 3.460 2.796 -0.099 1.00 0.00 C ATOM 687 OG1 THR A 60 3.344 2.343 1.235 1.00 0.00 O ATOM 688 CG2 THR A 60 4.035 4.222 0.024 1.00 0.00 C ATOM 0 H THR A 60 2.313 1.418 -2.208 1.00 0.00 H new ATOM 0 HA THR A 60 1.316 2.941 0.180 1.00 0.00 H new ATOM 0 HB THR A 60 4.086 2.187 -0.751 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.234 2.295 1.643 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.054 4.172 0.409 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.040 4.698 -0.957 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.418 4.806 0.707 1.00 0.00 H new ATOM 696 N LEU A 61 1.195 5.038 -1.121 1.00 0.00 N ATOM 697 CA LEU A 61 1.005 6.234 -1.988 1.00 0.00 C ATOM 698 C LEU A 61 1.213 7.520 -1.229 1.00 0.00 C ATOM 699 O LEU A 61 1.009 7.586 -0.035 1.00 0.00 O ATOM 700 CB LEU A 61 -0.429 6.236 -2.566 1.00 0.00 C ATOM 701 CG LEU A 61 -1.350 5.333 -1.735 1.00 0.00 C ATOM 702 CD1 LEU A 61 -2.785 5.816 -1.907 1.00 0.00 C ATOM 703 CD2 LEU A 61 -1.253 3.875 -2.224 1.00 0.00 C ATOM 0 H LEU A 61 0.768 5.093 -0.197 1.00 0.00 H new ATOM 0 HA LEU A 61 1.746 6.177 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.821 7.253 -2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.410 5.892 -3.600 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.050 5.377 -0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.454 5.185 -1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.866 6.847 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.063 5.763 -2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.912 3.246 -1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.553 3.822 -3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.226 3.525 -2.122 1.00 0.00 H new ATOM 715 N ARG A 62 1.618 8.534 -1.946 1.00 0.00 N ATOM 716 CA ARG A 62 1.848 9.829 -1.300 1.00 0.00 C ATOM 717 C ARG A 62 0.556 10.591 -1.226 1.00 0.00 C ATOM 718 O ARG A 62 0.034 11.030 -2.243 1.00 0.00 O ATOM 719 CB ARG A 62 2.848 10.626 -2.143 1.00 0.00 C ATOM 720 CG ARG A 62 3.206 11.931 -1.423 1.00 0.00 C ATOM 721 CD ARG A 62 3.930 11.616 -0.102 1.00 0.00 C ATOM 722 NE ARG A 62 5.015 12.624 0.103 1.00 0.00 N ATOM 723 CZ ARG A 62 5.210 13.127 1.293 1.00 0.00 C ATOM 724 NH1 ARG A 62 5.408 12.317 2.296 1.00 0.00 N ATOM 725 NH2 ARG A 62 5.205 14.425 1.438 1.00 0.00 N ATOM 0 H ARG A 62 1.796 8.508 -2.950 1.00 0.00 H new ATOM 0 HA ARG A 62 2.237 9.675 -0.294 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.748 10.035 -2.313 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.421 10.845 -3.122 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.843 12.545 -2.060 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.302 12.507 -1.225 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.227 11.644 0.730 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.349 10.610 -0.132 1.00 0.00 H new ATOM 0 HE ARG A 62 5.599 12.917 -0.680 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.409 11.308 2.144 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.562 12.692 3.232 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.051 15.028 0.630 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.355 14.836 2.359 1.00 0.00 H new ATOM 739 N LYS A 63 0.063 10.725 -0.022 1.00 0.00 N ATOM 740 CA LYS A 63 -1.206 11.453 0.196 1.00 0.00 C ATOM 741 C LYS A 63 -1.009 12.952 0.024 1.00 0.00 C ATOM 742 O LYS A 63 -1.620 13.745 0.712 1.00 0.00 O ATOM 743 CB LYS A 63 -1.649 11.168 1.643 1.00 0.00 C ATOM 744 CG LYS A 63 -3.180 11.036 1.736 1.00 0.00 C ATOM 745 CD LYS A 63 -3.532 10.329 3.051 1.00 0.00 C ATOM 746 CE LYS A 63 -4.768 10.989 3.669 1.00 0.00 C ATOM 747 NZ LYS A 63 -5.755 11.354 2.612 1.00 0.00 N ATOM 0 H LYS A 63 0.496 10.354 0.824 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.952 11.125 -0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.179 10.250 1.997 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.309 11.972 2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.647 12.020 1.699 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.563 10.469 0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.724 9.272 2.868 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.692 10.385 3.743 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.229 10.309 4.385 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.472 11.881 4.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.715 11.328 3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.551 12.312 2.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.688 10.677 1.826 1.00 0.00 H new ATOM 761 N GLY A 64 -0.159 13.310 -0.891 1.00 0.00 N ATOM 762 CA GLY A 64 0.095 14.754 -1.128 1.00 0.00 C ATOM 763 C GLY A 64 0.977 15.346 -0.026 1.00 0.00 C ATOM 764 O GLY A 64 1.338 16.504 -0.079 1.00 0.00 O ATOM 0 H GLY A 64 0.369 12.669 -1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.578 14.887 -2.096 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.852 15.291 -1.168 1.00 0.00 H new ATOM 768 N GLY A 65 1.309 14.545 0.952 1.00 0.00 N ATOM 769 CA GLY A 65 2.167 15.074 2.051 1.00 0.00 C ATOM 770 C GLY A 65 2.565 13.969 3.030 1.00 0.00 C ATOM 771 O GLY A 65 3.561 14.083 3.716 1.00 0.00 O ATOM 0 H GLY A 65 1.030 13.568 1.037 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.063 15.528 1.628 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.633 15.860 2.585 1.00 0.00 H new ATOM 775 N ASN A 66 1.777 12.929 3.073 1.00 0.00 N ATOM 776 CA ASN A 66 2.087 11.805 3.999 1.00 0.00 C ATOM 777 C ASN A 66 2.024 10.461 3.282 1.00 0.00 C ATOM 778 O ASN A 66 1.081 10.174 2.575 1.00 0.00 O ATOM 779 CB ASN A 66 1.033 11.813 5.109 1.00 0.00 C ATOM 780 CG ASN A 66 1.584 11.090 6.341 1.00 0.00 C ATOM 781 OD1 ASN A 66 2.344 11.644 7.112 1.00 0.00 O ATOM 782 ND2 ASN A 66 1.228 9.855 6.562 1.00 0.00 N ATOM 0 H ASN A 66 0.935 12.810 2.509 1.00 0.00 H new ATOM 0 HA ASN A 66 3.095 11.935 4.393 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.767 12.839 5.365 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.122 11.324 4.764 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.587 9.359 7.378 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.591 9.385 5.919 1.00 0.00 H new ATOM 789 N ASN A 67 3.036 9.660 3.480 1.00 0.00 N ATOM 790 CA ASN A 67 3.056 8.332 2.823 1.00 0.00 C ATOM 791 C ASN A 67 1.988 7.424 3.431 1.00 0.00 C ATOM 792 O ASN A 67 2.091 7.023 4.574 1.00 0.00 O ATOM 793 CB ASN A 67 4.441 7.697 3.058 1.00 0.00 C ATOM 794 CG ASN A 67 4.273 6.213 3.395 1.00 0.00 C ATOM 795 OD1 ASN A 67 3.885 5.419 2.570 1.00 0.00 O ATOM 796 ND2 ASN A 67 4.553 5.801 4.601 1.00 0.00 N ATOM 0 H ASN A 67 3.844 9.871 4.066 1.00 0.00 H new ATOM 0 HA ASN A 67 2.857 8.450 1.758 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.060 7.811 2.168 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.954 8.210 3.872 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.444 4.816 4.842 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.881 6.464 5.303 1.00 0.00 H new ATOM 803 N LYS A 68 0.976 7.124 2.664 1.00 0.00 N ATOM 804 CA LYS A 68 -0.089 6.256 3.179 1.00 0.00 C ATOM 805 C LYS A 68 0.250 4.795 2.913 1.00 0.00 C ATOM 806 O LYS A 68 0.453 4.400 1.785 1.00 0.00 O ATOM 807 CB LYS A 68 -1.367 6.617 2.431 1.00 0.00 C ATOM 808 CG LYS A 68 -2.574 6.259 3.276 1.00 0.00 C ATOM 809 CD LYS A 68 -3.718 5.920 2.339 1.00 0.00 C ATOM 810 CE LYS A 68 -5.049 6.032 3.092 1.00 0.00 C ATOM 811 NZ LYS A 68 -5.112 5.033 4.195 1.00 0.00 N ATOM 0 H LYS A 68 0.851 7.448 1.705 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.205 6.394 4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.376 7.682 2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.406 6.085 1.481 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.348 5.412 3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.846 7.092 3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.714 6.596 1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.594 4.910 1.947 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.160 7.038 3.498 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.878 5.873 2.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.072 5.017 4.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.876 4.091 3.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.432 5.292 4.938 1.00 0.00 H new ATOM 825 N LEU A 69 0.304 4.021 3.963 1.00 0.00 N ATOM 826 CA LEU A 69 0.631 2.582 3.794 1.00 0.00 C ATOM 827 C LEU A 69 -0.627 1.719 3.737 1.00 0.00 C ATOM 828 O LEU A 69 -1.464 1.774 4.616 1.00 0.00 O ATOM 829 CB LEU A 69 1.478 2.145 5.003 1.00 0.00 C ATOM 830 CG LEU A 69 1.763 0.644 4.912 1.00 0.00 C ATOM 831 CD1 LEU A 69 3.235 0.391 5.239 1.00 0.00 C ATOM 832 CD2 LEU A 69 0.894 -0.098 5.928 1.00 0.00 C ATOM 0 H LEU A 69 0.137 4.323 4.923 1.00 0.00 H new ATOM 0 HA LEU A 69 1.169 2.452 2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.414 2.703 5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.951 2.370 5.930 1.00 0.00 H new ATOM 0 HG LEU A 69 1.540 0.290 3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.443 -0.677 5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.863 0.926 4.527 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.449 0.743 6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.094 -1.168 5.866 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.125 0.257 6.932 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.158 0.087 5.711 1.00 0.00 H new ATOM 844 N ILE A 70 -0.729 0.938 2.686 1.00 0.00 N ATOM 845 CA ILE A 70 -1.913 0.047 2.523 1.00 0.00 C ATOM 846 C ILE A 70 -1.446 -1.380 2.258 1.00 0.00 C ATOM 847 O ILE A 70 -0.850 -1.661 1.236 1.00 0.00 O ATOM 848 CB ILE A 70 -2.723 0.533 1.333 1.00 0.00 C ATOM 849 CG1 ILE A 70 -3.451 1.815 1.702 1.00 0.00 C ATOM 850 CG2 ILE A 70 -3.772 -0.536 0.976 1.00 0.00 C ATOM 851 CD1 ILE A 70 -3.544 2.720 0.473 1.00 0.00 C ATOM 0 H ILE A 70 -0.040 0.882 1.936 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.519 0.067 3.429 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.057 0.714 0.490 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.449 1.585 2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.922 2.328 2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.360 -0.198 0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.269 -1.469 0.723 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.431 -0.698 1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.066 3.640 0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.541 2.960 0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.092 2.206 -0.317 1.00 0.00 H new ATOM 863 N LYS A 71 -1.724 -2.256 3.179 1.00 0.00 N ATOM 864 CA LYS A 71 -1.299 -3.669 2.998 1.00 0.00 C ATOM 865 C LYS A 71 -2.074 -4.379 1.887 1.00 0.00 C ATOM 866 O LYS A 71 -3.230 -4.099 1.646 1.00 0.00 O ATOM 867 CB LYS A 71 -1.551 -4.415 4.318 1.00 0.00 C ATOM 868 CG LYS A 71 -0.528 -3.956 5.357 1.00 0.00 C ATOM 869 CD LYS A 71 0.636 -4.948 5.391 1.00 0.00 C ATOM 870 CE LYS A 71 1.773 -4.361 6.231 1.00 0.00 C ATOM 871 NZ LYS A 71 1.243 -3.791 7.502 1.00 0.00 N ATOM 0 H LYS A 71 -2.224 -2.057 4.045 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.246 -3.670 2.718 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.562 -4.218 4.674 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.472 -5.491 4.163 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.164 -2.959 5.110 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.995 -3.891 6.340 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.308 -5.898 5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.984 -5.153 4.379 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.507 -5.136 6.451 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.288 -3.585 5.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.024 -3.662 8.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.796 -2.872 7.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.539 -4.441 7.907 1.00 0.00 H new ATOM 885 N ILE A 72 -1.397 -5.285 1.229 1.00 0.00 N ATOM 886 CA ILE A 72 -2.036 -6.051 0.127 1.00 0.00 C ATOM 887 C ILE A 72 -2.501 -7.400 0.691 1.00 0.00 C ATOM 888 O ILE A 72 -1.716 -8.111 1.287 1.00 0.00 O ATOM 889 CB ILE A 72 -0.953 -6.286 -0.961 1.00 0.00 C ATOM 890 CG1 ILE A 72 -1.024 -5.196 -2.047 1.00 0.00 C ATOM 891 CG2 ILE A 72 -1.154 -7.676 -1.617 1.00 0.00 C ATOM 892 CD1 ILE A 72 -2.165 -5.489 -3.047 1.00 0.00 C ATOM 0 H ILE A 72 -0.423 -5.526 1.412 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.888 -5.518 -0.295 1.00 0.00 H new ATOM 0 HB ILE A 72 0.025 -6.244 -0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.183 -4.223 -1.582 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.074 -5.144 -2.578 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.390 -7.833 -2.379 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.072 -8.452 -0.856 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.141 -7.722 -2.078 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.195 -4.706 -3.804 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.990 -6.452 -3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.116 -5.517 -2.516 1.00 0.00 H new ATOM 904 N PHE A 73 -3.757 -7.740 0.501 1.00 0.00 N ATOM 905 CA PHE A 73 -4.224 -9.038 1.041 1.00 0.00 C ATOM 906 C PHE A 73 -4.040 -10.156 0.022 1.00 0.00 C ATOM 907 O PHE A 73 -4.815 -10.294 -0.899 1.00 0.00 O ATOM 908 CB PHE A 73 -5.713 -8.909 1.407 1.00 0.00 C ATOM 909 CG PHE A 73 -6.075 -7.427 1.566 1.00 0.00 C ATOM 910 CD1 PHE A 73 -5.297 -6.594 2.350 1.00 0.00 C ATOM 911 CD2 PHE A 73 -7.171 -6.897 0.906 1.00 0.00 C ATOM 912 CE1 PHE A 73 -5.607 -5.253 2.468 1.00 0.00 C ATOM 913 CE2 PHE A 73 -7.478 -5.555 1.025 1.00 0.00 C ATOM 914 CZ PHE A 73 -6.695 -4.735 1.805 1.00 0.00 C ATOM 0 H PHE A 73 -4.455 -7.184 0.007 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.635 -9.289 1.923 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.330 -9.364 0.632 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.918 -9.446 2.333 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.441 -6.995 2.873 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.790 -7.537 0.294 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.994 -4.610 3.082 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.333 -5.149 0.505 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.935 -3.686 1.896 1.00 0.00 H new ATOM 924 N HIS A 74 -2.992 -10.924 0.213 1.00 0.00 N ATOM 925 CA HIS A 74 -2.701 -12.054 -0.714 1.00 0.00 C ATOM 926 C HIS A 74 -2.859 -13.389 0.022 1.00 0.00 C ATOM 927 O HIS A 74 -2.837 -13.421 1.237 1.00 0.00 O ATOM 928 CB HIS A 74 -1.244 -11.916 -1.175 1.00 0.00 C ATOM 929 CG HIS A 74 -0.640 -13.304 -1.367 1.00 0.00 C ATOM 930 ND1 HIS A 74 0.074 -13.895 -0.530 1.00 0.00 N ATOM 931 CD2 HIS A 74 -0.736 -14.160 -2.442 1.00 0.00 C ATOM 932 CE1 HIS A 74 0.441 -15.031 -0.954 1.00 0.00 C ATOM 933 NE2 HIS A 74 -0.029 -15.292 -2.173 1.00 0.00 N ATOM 0 H HIS A 74 -2.325 -10.812 0.977 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.388 -12.030 -1.560 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.198 -11.355 -2.108 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.669 -11.356 -0.438 1.00 0.00 H new ATOM 0 HD1 HIS A 74 0.329 -13.512 0.380 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.284 -13.965 -3.352 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.064 -15.711 -0.391 1.00 0.00 H new ATOM 941 N ARG A 75 -3.009 -14.465 -0.725 1.00 0.00 N ATOM 942 CA ARG A 75 -3.170 -15.803 -0.069 1.00 0.00 C ATOM 943 C ARG A 75 -1.996 -16.725 -0.383 1.00 0.00 C ATOM 944 O ARG A 75 -1.217 -17.053 0.490 1.00 0.00 O ATOM 945 CB ARG A 75 -4.457 -16.455 -0.590 1.00 0.00 C ATOM 946 CG ARG A 75 -4.612 -17.828 0.070 1.00 0.00 C ATOM 947 CD ARG A 75 -6.092 -18.211 0.107 1.00 0.00 C ATOM 948 NE ARG A 75 -6.210 -19.697 0.048 1.00 0.00 N ATOM 949 CZ ARG A 75 -7.389 -20.245 -0.069 1.00 0.00 C ATOM 950 NH1 ARG A 75 -7.910 -20.375 -1.260 1.00 0.00 N ATOM 951 NH2 ARG A 75 -8.008 -20.645 1.008 1.00 0.00 N ATOM 0 H ARG A 75 -3.026 -14.472 -1.745 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.212 -15.653 1.010 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.318 -15.827 -0.362 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.416 -16.559 -1.674 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.045 -18.576 -0.485 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.206 -17.805 1.081 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.556 -17.832 1.017 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.619 -17.758 -0.732 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.375 -20.281 0.099 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.396 -20.051 -2.079 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.830 -20.801 -1.370 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.570 -20.527 1.922 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.930 -21.075 0.936 1.00 0.00 H new ATOM 965 N ASP A 76 -1.890 -17.132 -1.621 1.00 0.00 N ATOM 966 CA ASP A 76 -0.770 -18.036 -2.001 1.00 0.00 C ATOM 967 C ASP A 76 -0.229 -17.692 -3.382 1.00 0.00 C ATOM 968 O ASP A 76 0.709 -18.305 -3.853 1.00 0.00 O ATOM 969 CB ASP A 76 -1.301 -19.477 -2.025 1.00 0.00 C ATOM 970 CG ASP A 76 -2.601 -19.522 -2.830 1.00 0.00 C ATOM 971 OD1 ASP A 76 -2.692 -18.732 -3.755 1.00 0.00 O ATOM 972 OD2 ASP A 76 -3.429 -20.345 -2.475 1.00 0.00 O ATOM 0 H ASP A 76 -2.525 -16.879 -2.378 1.00 0.00 H new ATOM 0 HA ASP A 76 0.036 -17.922 -1.276 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.561 -20.142 -2.470 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.477 -19.829 -1.009 1.00 0.00 H new ATOM 977 N GLY A 77 -0.828 -16.721 -4.011 1.00 0.00 N ATOM 978 CA GLY A 77 -0.351 -16.331 -5.366 1.00 0.00 C ATOM 979 C GLY A 77 -1.327 -15.354 -6.017 1.00 0.00 C ATOM 980 O GLY A 77 -0.996 -14.694 -6.983 1.00 0.00 O ATOM 0 H GLY A 77 -1.618 -16.186 -3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.636 -15.874 -5.293 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.245 -17.218 -5.990 1.00 0.00 H new ATOM 984 N LYS A 78 -2.506 -15.277 -5.470 1.00 0.00 N ATOM 985 CA LYS A 78 -3.510 -14.360 -6.034 1.00 0.00 C ATOM 986 C LYS A 78 -3.453 -12.995 -5.344 1.00 0.00 C ATOM 987 O LYS A 78 -2.403 -12.579 -4.893 1.00 0.00 O ATOM 988 CB LYS A 78 -4.902 -14.994 -5.836 1.00 0.00 C ATOM 989 CG LYS A 78 -4.753 -16.456 -5.399 1.00 0.00 C ATOM 990 CD LYS A 78 -6.128 -17.128 -5.448 1.00 0.00 C ATOM 991 CE LYS A 78 -6.128 -18.348 -4.527 1.00 0.00 C ATOM 992 NZ LYS A 78 -6.428 -17.941 -3.127 1.00 0.00 N ATOM 0 H LYS A 78 -2.810 -15.813 -4.657 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.308 -14.203 -7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.462 -14.436 -5.085 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.471 -14.939 -6.764 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.055 -16.977 -6.055 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.343 -16.509 -4.390 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.901 -16.424 -5.138 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.362 -17.429 -6.469 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.869 -19.070 -4.869 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.158 -18.843 -4.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.915 -18.560 -2.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.129 -16.956 -2.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.450 -18.022 -2.953 1.00 0.00 H new ATOM 1006 N TYR A 79 -4.572 -12.316 -5.274 1.00 0.00 N ATOM 1007 CA TYR A 79 -4.562 -10.993 -4.617 1.00 0.00 C ATOM 1008 C TYR A 79 -5.882 -10.687 -3.965 1.00 0.00 C ATOM 1009 O TYR A 79 -6.877 -11.321 -4.233 1.00 0.00 O ATOM 1010 CB TYR A 79 -4.302 -9.932 -5.678 1.00 0.00 C ATOM 1011 CG TYR A 79 -2.813 -9.859 -5.945 1.00 0.00 C ATOM 1012 CD1 TYR A 79 -1.980 -9.181 -5.083 1.00 0.00 C ATOM 1013 CD2 TYR A 79 -2.282 -10.474 -7.049 1.00 0.00 C ATOM 1014 CE1 TYR A 79 -0.625 -9.124 -5.328 1.00 0.00 C ATOM 1015 CE2 TYR A 79 -0.931 -10.422 -7.300 1.00 0.00 C ATOM 1016 CZ TYR A 79 -0.088 -9.744 -6.441 1.00 0.00 C ATOM 1017 OH TYR A 79 1.269 -9.684 -6.690 1.00 0.00 O ATOM 0 H TYR A 79 -5.473 -12.623 -5.640 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.788 -10.998 -3.850 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.838 -10.177 -6.595 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.672 -8.964 -5.341 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.390 -8.692 -4.212 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.932 -11.005 -7.729 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.022 -8.592 -4.646 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.527 -10.914 -8.173 1.00 0.00 H new ATOM 0 HH TYR A 79 1.753 -9.586 -5.843 1.00 0.00 H new ATOM 1027 N GLY A 80 -5.864 -9.712 -3.114 1.00 0.00 N ATOM 1028 CA GLY A 80 -7.102 -9.327 -2.419 1.00 0.00 C ATOM 1029 C GLY A 80 -7.106 -7.824 -2.219 1.00 0.00 C ATOM 1030 O GLY A 80 -6.289 -7.292 -1.494 1.00 0.00 O ATOM 0 H GLY A 80 -5.039 -9.164 -2.871 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.972 -9.632 -3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.168 -9.835 -1.457 1.00 0.00 H new ATOM 1034 N PHE A 81 -8.008 -7.172 -2.885 1.00 0.00 N ATOM 1035 CA PHE A 81 -8.096 -5.705 -2.763 1.00 0.00 C ATOM 1036 C PHE A 81 -9.529 -5.262 -2.941 1.00 0.00 C ATOM 1037 O PHE A 81 -9.937 -4.221 -2.467 1.00 0.00 O ATOM 1038 CB PHE A 81 -7.249 -5.085 -3.876 1.00 0.00 C ATOM 1039 CG PHE A 81 -6.385 -3.979 -3.282 1.00 0.00 C ATOM 1040 CD1 PHE A 81 -5.422 -4.275 -2.334 1.00 0.00 C ATOM 1041 CD2 PHE A 81 -6.577 -2.665 -3.655 1.00 0.00 C ATOM 1042 CE1 PHE A 81 -4.670 -3.270 -1.769 1.00 0.00 C ATOM 1043 CE2 PHE A 81 -5.822 -1.662 -3.087 1.00 0.00 C ATOM 1044 CZ PHE A 81 -4.870 -1.966 -2.143 1.00 0.00 C ATOM 0 H PHE A 81 -8.691 -7.598 -3.512 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.741 -5.392 -1.781 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.621 -5.846 -4.340 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.892 -4.682 -4.659 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.259 -5.300 -2.036 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.323 -2.421 -4.396 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.920 -3.509 -1.029 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.978 -0.635 -3.384 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.280 -1.179 -1.697 1.00 0.00 H new ATOM 1054 N SER A 82 -10.259 -6.075 -3.630 1.00 0.00 N ATOM 1055 CA SER A 82 -11.687 -5.767 -3.881 1.00 0.00 C ATOM 1056 C SER A 82 -12.470 -7.053 -4.016 1.00 0.00 C ATOM 1057 O SER A 82 -13.187 -7.450 -3.121 1.00 0.00 O ATOM 1058 CB SER A 82 -11.793 -4.986 -5.191 1.00 0.00 C ATOM 1059 OG SER A 82 -11.982 -3.639 -4.780 1.00 0.00 O ATOM 0 H SER A 82 -9.928 -6.950 -4.036 1.00 0.00 H new ATOM 0 HA SER A 82 -12.088 -5.183 -3.053 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.892 -5.096 -5.794 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.627 -5.338 -5.798 1.00 0.00 H new ATOM 0 HG SER A 82 -11.431 -3.458 -3.990 1.00 0.00 H new ATOM 1065 N ASP A 83 -12.317 -7.679 -5.141 1.00 0.00 N ATOM 1066 CA ASP A 83 -13.036 -8.951 -5.372 1.00 0.00 C ATOM 1067 C ASP A 83 -12.517 -9.993 -4.382 1.00 0.00 C ATOM 1068 O ASP A 83 -11.443 -9.833 -3.835 1.00 0.00 O ATOM 1069 CB ASP A 83 -12.714 -9.426 -6.809 1.00 0.00 C ATOM 1070 CG ASP A 83 -13.984 -9.368 -7.664 1.00 0.00 C ATOM 1071 OD1 ASP A 83 -14.507 -8.273 -7.785 1.00 0.00 O ATOM 1072 OD2 ASP A 83 -14.358 -10.424 -8.150 1.00 0.00 O ATOM 0 H ASP A 83 -11.725 -7.365 -5.910 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.110 -8.817 -5.242 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.939 -8.796 -7.246 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.323 -10.443 -6.788 1.00 0.00 H new ATOM 1077 N PRO A 84 -13.272 -11.048 -4.157 1.00 0.00 N ATOM 1078 CA PRO A 84 -12.835 -12.072 -3.230 1.00 0.00 C ATOM 1079 C PRO A 84 -11.435 -12.509 -3.605 1.00 0.00 C ATOM 1080 O PRO A 84 -10.949 -12.147 -4.644 1.00 0.00 O ATOM 1081 CB PRO A 84 -13.832 -13.234 -3.415 1.00 0.00 C ATOM 1082 CG PRO A 84 -14.912 -12.753 -4.437 1.00 0.00 C ATOM 1083 CD PRO A 84 -14.548 -11.309 -4.834 1.00 0.00 C ATOM 0 HA PRO A 84 -12.811 -11.728 -2.196 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.322 -14.124 -3.783 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.293 -13.501 -2.464 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -14.929 -13.401 -5.313 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.907 -12.791 -3.993 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.451 -11.208 -5.915 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.317 -10.605 -4.516 1.00 0.00 H new ATOM 1091 N LEU A 85 -10.802 -13.260 -2.768 1.00 0.00 N ATOM 1092 CA LEU A 85 -9.436 -13.697 -3.115 1.00 0.00 C ATOM 1093 C LEU A 85 -9.491 -14.867 -4.102 1.00 0.00 C ATOM 1094 O LEU A 85 -8.859 -15.890 -3.918 1.00 0.00 O ATOM 1095 CB LEU A 85 -8.706 -14.098 -1.806 1.00 0.00 C ATOM 1096 CG LEU A 85 -7.831 -12.916 -1.339 1.00 0.00 C ATOM 1097 CD1 LEU A 85 -7.695 -12.933 0.174 1.00 0.00 C ATOM 1098 CD2 LEU A 85 -6.443 -13.051 -1.955 1.00 0.00 C ATOM 0 H LEU A 85 -11.162 -13.587 -1.872 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.889 -12.888 -3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.431 -14.358 -1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.089 -14.981 -1.974 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.298 -11.982 -1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.076 -12.095 0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.682 -12.849 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.230 -13.868 0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.818 -12.219 -1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.992 -13.990 -1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.525 -13.040 -3.042 1.00 0.00 H new ATOM 1110 N THR A 86 -10.262 -14.669 -5.151 1.00 0.00 N ATOM 1111 CA THR A 86 -10.403 -15.724 -6.189 1.00 0.00 C ATOM 1112 C THR A 86 -9.668 -15.325 -7.471 1.00 0.00 C ATOM 1113 O THR A 86 -9.056 -16.154 -8.115 1.00 0.00 O ATOM 1114 CB THR A 86 -11.893 -15.887 -6.507 1.00 0.00 C ATOM 1115 OG1 THR A 86 -12.506 -16.209 -5.277 1.00 0.00 O ATOM 1116 CG2 THR A 86 -12.131 -17.119 -7.391 1.00 0.00 C ATOM 0 H THR A 86 -10.797 -13.818 -5.325 1.00 0.00 H new ATOM 0 HA THR A 86 -9.975 -16.654 -5.815 1.00 0.00 H new ATOM 0 HB THR A 86 -12.266 -14.987 -6.997 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.470 -16.326 -5.412 1.00 0.00 H new ATOM 0 HG21 THR A 86 -13.196 -17.214 -7.603 1.00 0.00 H new ATOM 0 HG22 THR A 86 -11.583 -17.007 -8.326 1.00 0.00 H new ATOM 0 HG23 THR A 86 -11.783 -18.012 -6.872 1.00 0.00 H new ATOM 1124 N PHE A 87 -9.748 -14.059 -7.824 1.00 0.00 N ATOM 1125 CA PHE A 87 -9.055 -13.606 -9.063 1.00 0.00 C ATOM 1126 C PHE A 87 -7.560 -13.807 -8.908 1.00 0.00 C ATOM 1127 O PHE A 87 -7.142 -14.800 -8.358 1.00 0.00 O ATOM 1128 CB PHE A 87 -9.372 -12.106 -9.321 1.00 0.00 C ATOM 1129 CG PHE A 87 -8.711 -11.212 -8.261 1.00 0.00 C ATOM 1130 CD1 PHE A 87 -9.139 -11.242 -6.953 1.00 0.00 C ATOM 1131 CD2 PHE A 87 -7.692 -10.342 -8.611 1.00 0.00 C ATOM 1132 CE1 PHE A 87 -8.565 -10.421 -6.008 1.00 0.00 C ATOM 1133 CE2 PHE A 87 -7.117 -9.521 -7.663 1.00 0.00 C ATOM 1134 CZ PHE A 87 -7.555 -9.561 -6.362 1.00 0.00 C ATOM 0 H PHE A 87 -10.255 -13.336 -7.313 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.406 -14.191 -9.913 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -9.019 -11.822 -10.312 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.451 -11.952 -9.310 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.932 -11.916 -6.665 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.345 -10.306 -9.633 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.910 -10.454 -4.985 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.322 -8.846 -7.944 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.106 -8.918 -5.619 1.00 0.00 H new ATOM 1144 N ASN A 88 -6.765 -12.876 -9.375 1.00 0.00 N ATOM 1145 CA ASN A 88 -5.288 -13.082 -9.220 1.00 0.00 C ATOM 1146 C ASN A 88 -4.440 -11.981 -9.859 1.00 0.00 C ATOM 1147 O ASN A 88 -3.228 -12.057 -9.802 1.00 0.00 O ATOM 1148 CB ASN A 88 -4.910 -14.411 -9.908 1.00 0.00 C ATOM 1149 CG ASN A 88 -5.778 -14.605 -11.155 1.00 0.00 C ATOM 1150 OD1 ASN A 88 -5.550 -14.000 -12.184 1.00 0.00 O ATOM 1151 ND2 ASN A 88 -6.781 -15.440 -11.107 1.00 0.00 N ATOM 0 H ASN A 88 -7.056 -12.015 -9.839 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.082 -13.078 -8.150 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.855 -14.403 -10.183 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.053 -15.243 -9.219 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.367 -15.581 -11.930 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.978 -15.951 -10.247 1.00 0.00 H new ATOM 1158 N SER A 89 -5.063 -10.989 -10.460 1.00 0.00 N ATOM 1159 CA SER A 89 -4.245 -9.899 -11.093 1.00 0.00 C ATOM 1160 C SER A 89 -4.597 -8.512 -10.596 1.00 0.00 C ATOM 1161 O SER A 89 -5.747 -8.073 -10.621 1.00 0.00 O ATOM 1162 CB SER A 89 -4.463 -9.920 -12.589 1.00 0.00 C ATOM 1163 OG SER A 89 -5.424 -10.947 -12.794 1.00 0.00 O ATOM 0 H SER A 89 -6.075 -10.887 -10.539 1.00 0.00 H new ATOM 0 HA SER A 89 -3.208 -10.098 -10.823 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.827 -8.958 -12.951 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.536 -10.131 -13.122 1.00 0.00 H new ATOM 0 HG SER A 89 -5.622 -11.023 -13.751 1.00 0.00 H new ATOM 1169 N VAL A 90 -3.581 -7.823 -10.207 1.00 0.00 N ATOM 1170 CA VAL A 90 -3.777 -6.460 -9.704 1.00 0.00 C ATOM 1171 C VAL A 90 -3.788 -5.510 -10.869 1.00 0.00 C ATOM 1172 O VAL A 90 -4.450 -4.493 -10.845 1.00 0.00 O ATOM 1173 CB VAL A 90 -2.625 -6.103 -8.752 1.00 0.00 C ATOM 1174 CG1 VAL A 90 -3.106 -5.037 -7.767 1.00 0.00 C ATOM 1175 CG2 VAL A 90 -2.211 -7.354 -7.972 1.00 0.00 C ATOM 0 H VAL A 90 -2.615 -8.150 -10.217 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.722 -6.389 -9.166 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.776 -5.727 -9.323 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.295 -4.777 -7.087 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.418 -4.148 -8.316 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.949 -5.424 -7.195 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.394 -7.107 -7.295 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.061 -7.722 -7.396 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.884 -8.126 -8.669 1.00 0.00 H new ATOM 1185 N VAL A 91 -3.047 -5.859 -11.885 1.00 0.00 N ATOM 1186 CA VAL A 91 -3.003 -4.992 -13.069 1.00 0.00 C ATOM 1187 C VAL A 91 -4.410 -4.799 -13.542 1.00 0.00 C ATOM 1188 O VAL A 91 -4.810 -3.718 -13.906 1.00 0.00 O ATOM 1189 CB VAL A 91 -2.191 -5.692 -14.170 1.00 0.00 C ATOM 1190 CG1 VAL A 91 -1.650 -4.644 -15.145 1.00 0.00 C ATOM 1191 CG2 VAL A 91 -1.018 -6.436 -13.539 1.00 0.00 C ATOM 0 H VAL A 91 -2.478 -6.704 -11.936 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.541 -4.033 -12.833 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.832 -6.396 -14.701 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.073 -5.138 -15.927 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.482 -4.102 -15.595 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.009 -3.945 -14.609 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.441 -6.933 -14.319 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.380 -5.728 -13.011 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.394 -7.179 -12.836 1.00 0.00 H new ATOM 1201 N GLU A 92 -5.144 -5.871 -13.514 1.00 0.00 N ATOM 1202 CA GLU A 92 -6.547 -5.805 -13.951 1.00 0.00 C ATOM 1203 C GLU A 92 -7.290 -4.863 -13.033 1.00 0.00 C ATOM 1204 O GLU A 92 -8.022 -4.001 -13.475 1.00 0.00 O ATOM 1205 CB GLU A 92 -7.162 -7.209 -13.841 1.00 0.00 C ATOM 1206 CG GLU A 92 -6.522 -8.121 -14.890 1.00 0.00 C ATOM 1207 CD GLU A 92 -7.285 -7.988 -16.211 1.00 0.00 C ATOM 1208 OE1 GLU A 92 -7.562 -6.855 -16.565 1.00 0.00 O ATOM 1209 OE2 GLU A 92 -7.546 -9.028 -16.792 1.00 0.00 O ATOM 0 H GLU A 92 -4.826 -6.790 -13.205 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.612 -5.452 -14.980 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.999 -7.613 -12.842 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.240 -7.160 -13.993 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -5.476 -7.852 -15.033 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -6.541 -9.156 -14.549 1.00 0.00 H new ATOM 1216 N LEU A 93 -7.097 -5.052 -11.750 1.00 0.00 N ATOM 1217 CA LEU A 93 -7.787 -4.164 -10.780 1.00 0.00 C ATOM 1218 C LEU A 93 -7.286 -2.732 -10.944 1.00 0.00 C ATOM 1219 O LEU A 93 -7.995 -1.872 -11.434 1.00 0.00 O ATOM 1220 CB LEU A 93 -7.452 -4.664 -9.348 1.00 0.00 C ATOM 1221 CG LEU A 93 -7.984 -3.672 -8.286 1.00 0.00 C ATOM 1222 CD1 LEU A 93 -8.870 -4.420 -7.298 1.00 0.00 C ATOM 1223 CD2 LEU A 93 -6.804 -3.063 -7.514 1.00 0.00 C ATOM 0 H LEU A 93 -6.500 -5.772 -11.343 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.863 -4.184 -10.952 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.893 -5.648 -9.188 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.373 -4.777 -9.240 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.551 -2.885 -8.783 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.247 -3.724 -6.548 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.709 -4.870 -7.830 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.289 -5.202 -6.808 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.180 -2.365 -6.766 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.244 -3.857 -7.020 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.149 -2.535 -8.207 1.00 0.00 H new ATOM 1235 N ILE A 94 -6.075 -2.506 -10.522 1.00 0.00 N ATOM 1236 CA ILE A 94 -5.497 -1.158 -10.633 1.00 0.00 C ATOM 1237 C ILE A 94 -5.836 -0.532 -11.979 1.00 0.00 C ATOM 1238 O ILE A 94 -6.041 0.658 -12.072 1.00 0.00 O ATOM 1239 CB ILE A 94 -3.964 -1.303 -10.463 1.00 0.00 C ATOM 1240 CG1 ILE A 94 -3.469 -0.424 -9.309 1.00 0.00 C ATOM 1241 CG2 ILE A 94 -3.215 -0.906 -11.768 1.00 0.00 C ATOM 1242 CD1 ILE A 94 -3.621 1.061 -9.659 1.00 0.00 C ATOM 0 H ILE A 94 -5.464 -3.207 -10.104 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.907 -0.501 -9.866 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.754 -2.349 -10.241 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.034 -0.650 -8.404 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.424 -0.648 -9.096 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.141 -1.018 -11.619 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.538 -1.553 -12.584 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.441 0.131 -12.016 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.264 1.669 -8.828 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.036 1.286 -10.551 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.671 1.285 -9.848 1.00 0.00 H new ATOM 1254 N ASN A 95 -5.890 -1.343 -13.001 1.00 0.00 N ATOM 1255 CA ASN A 95 -6.218 -0.790 -14.335 1.00 0.00 C ATOM 1256 C ASN A 95 -7.610 -0.180 -14.329 1.00 0.00 C ATOM 1257 O ASN A 95 -7.803 0.952 -14.753 1.00 0.00 O ATOM 1258 CB ASN A 95 -6.185 -1.926 -15.369 1.00 0.00 C ATOM 1259 CG ASN A 95 -6.918 -1.474 -16.634 1.00 0.00 C ATOM 1260 OD1 ASN A 95 -8.029 -1.887 -16.902 1.00 0.00 O ATOM 1261 ND2 ASN A 95 -6.332 -0.627 -17.435 1.00 0.00 N ATOM 0 H ASN A 95 -5.723 -2.349 -12.967 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.489 -0.019 -14.586 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.154 -2.189 -15.606 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.656 -2.820 -14.961 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -6.806 -0.314 -18.282 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -5.400 -0.278 -17.214 1.00 0.00 H new ATOM 1268 N HIS A 96 -8.564 -0.932 -13.834 1.00 0.00 N ATOM 1269 CA HIS A 96 -9.942 -0.403 -13.797 1.00 0.00 C ATOM 1270 C HIS A 96 -10.003 0.857 -12.956 1.00 0.00 C ATOM 1271 O HIS A 96 -10.919 1.647 -13.087 1.00 0.00 O ATOM 1272 CB HIS A 96 -10.863 -1.465 -13.178 1.00 0.00 C ATOM 1273 CG HIS A 96 -12.069 -1.680 -14.100 1.00 0.00 C ATOM 1274 ND1 HIS A 96 -12.918 -0.808 -14.385 1.00 0.00 N ATOM 1275 CD2 HIS A 96 -12.461 -2.812 -14.789 1.00 0.00 C ATOM 1276 CE1 HIS A 96 -13.801 -1.258 -15.175 1.00 0.00 C ATOM 1277 NE2 HIS A 96 -13.595 -2.538 -15.492 1.00 0.00 N ATOM 0 H HIS A 96 -8.441 -1.874 -13.462 1.00 0.00 H new ATOM 0 HA HIS A 96 -10.261 -0.165 -14.812 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -10.321 -2.401 -13.043 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -11.196 -1.145 -12.191 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -11.949 -3.763 -14.773 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -14.627 -0.672 -15.549 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -14.141 -3.149 -16.099 1.00 0.00 H new ATOM 1285 N TYR A 97 -9.024 1.031 -12.102 1.00 0.00 N ATOM 1286 CA TYR A 97 -9.020 2.240 -11.250 1.00 0.00 C ATOM 1287 C TYR A 97 -8.212 3.351 -11.893 1.00 0.00 C ATOM 1288 O TYR A 97 -8.523 4.515 -11.736 1.00 0.00 O ATOM 1289 CB TYR A 97 -8.408 1.890 -9.894 1.00 0.00 C ATOM 1290 CG TYR A 97 -9.541 1.511 -8.926 1.00 0.00 C ATOM 1291 CD1 TYR A 97 -10.546 2.418 -8.621 1.00 0.00 C ATOM 1292 CD2 TYR A 97 -9.591 0.253 -8.371 1.00 0.00 C ATOM 1293 CE1 TYR A 97 -11.577 2.066 -7.784 1.00 0.00 C ATOM 1294 CE2 TYR A 97 -10.626 -0.099 -7.530 1.00 0.00 C ATOM 1295 CZ TYR A 97 -11.628 0.804 -7.230 1.00 0.00 C ATOM 1296 OH TYR A 97 -12.666 0.447 -6.392 1.00 0.00 O ATOM 0 H TYR A 97 -8.241 0.392 -11.965 1.00 0.00 H new ATOM 0 HA TYR A 97 -10.046 2.586 -11.126 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.707 1.062 -9.998 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.845 2.737 -9.503 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.517 3.411 -9.046 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.815 -0.464 -8.595 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -12.353 2.782 -7.558 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.654 -1.090 -7.102 1.00 0.00 H new ATOM 0 HH TYR A 97 -12.543 -0.478 -6.094 1.00 0.00 H new ATOM 1306 N ARG A 98 -7.188 2.982 -12.607 1.00 0.00 N ATOM 1307 CA ARG A 98 -6.367 4.015 -13.258 1.00 0.00 C ATOM 1308 C ARG A 98 -7.267 4.905 -14.091 1.00 0.00 C ATOM 1309 O ARG A 98 -7.121 6.109 -14.105 1.00 0.00 O ATOM 1310 CB ARG A 98 -5.352 3.321 -14.177 1.00 0.00 C ATOM 1311 CG ARG A 98 -3.936 3.540 -13.633 1.00 0.00 C ATOM 1312 CD ARG A 98 -2.969 2.596 -14.353 1.00 0.00 C ATOM 1313 NE ARG A 98 -3.013 2.875 -15.818 1.00 0.00 N ATOM 1314 CZ ARG A 98 -2.008 2.513 -16.572 1.00 0.00 C ATOM 1315 NH1 ARG A 98 -0.814 2.960 -16.289 1.00 0.00 N ATOM 1316 NH2 ARG A 98 -2.229 1.717 -17.584 1.00 0.00 N ATOM 0 H ARG A 98 -6.893 2.018 -12.762 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.848 4.615 -12.511 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.569 2.255 -14.236 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.430 3.719 -15.189 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -3.632 4.576 -13.784 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.913 3.354 -12.559 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.956 2.735 -13.974 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -3.242 1.559 -14.160 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.820 3.344 -16.228 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -0.678 3.581 -15.491 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -0.018 2.688 -16.866 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -3.175 1.387 -17.776 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -1.456 1.425 -18.182 1.00 0.00 H new ATOM 1330 N ASN A 99 -8.195 4.286 -14.770 1.00 0.00 N ATOM 1331 CA ASN A 99 -9.123 5.072 -15.609 1.00 0.00 C ATOM 1332 C ASN A 99 -10.099 5.843 -14.732 1.00 0.00 C ATOM 1333 O ASN A 99 -10.641 6.854 -15.140 1.00 0.00 O ATOM 1334 CB ASN A 99 -9.915 4.103 -16.491 1.00 0.00 C ATOM 1335 CG ASN A 99 -9.589 4.369 -17.963 1.00 0.00 C ATOM 1336 OD1 ASN A 99 -8.463 4.225 -18.397 1.00 0.00 O ATOM 1337 ND2 ASN A 99 -10.546 4.757 -18.764 1.00 0.00 N ATOM 0 H ASN A 99 -8.344 3.277 -14.776 1.00 0.00 H new ATOM 0 HA ASN A 99 -8.555 5.776 -16.217 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -9.666 3.074 -16.233 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.984 4.226 -16.316 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -10.346 4.937 -19.748 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -11.493 4.880 -18.405 1.00 0.00 H new ATOM 1344 N GLU A 100 -10.300 5.346 -13.530 1.00 0.00 N ATOM 1345 CA GLU A 100 -11.237 6.023 -12.589 1.00 0.00 C ATOM 1346 C GLU A 100 -10.481 6.685 -11.441 1.00 0.00 C ATOM 1347 O GLU A 100 -9.646 7.539 -11.664 1.00 0.00 O ATOM 1348 CB GLU A 100 -12.193 4.971 -12.016 1.00 0.00 C ATOM 1349 CG GLU A 100 -12.951 4.315 -13.168 1.00 0.00 C ATOM 1350 CD GLU A 100 -14.340 3.889 -12.685 1.00 0.00 C ATOM 1351 OE1 GLU A 100 -14.380 2.933 -11.928 1.00 0.00 O ATOM 1352 OE2 GLU A 100 -15.283 4.543 -13.100 1.00 0.00 O ATOM 0 H GLU A 100 -9.854 4.503 -13.167 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.784 6.795 -13.130 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.636 4.221 -11.455 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.892 5.435 -11.320 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -13.041 5.011 -14.002 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.400 3.449 -13.534 1.00 0.00 H new ATOM 1359 N SER A 101 -10.770 6.265 -10.224 1.00 0.00 N ATOM 1360 CA SER A 101 -10.066 6.879 -9.060 1.00 0.00 C ATOM 1361 C SER A 101 -10.273 6.081 -7.794 1.00 0.00 C ATOM 1362 O SER A 101 -11.165 5.259 -7.713 1.00 0.00 O ATOM 1363 CB SER A 101 -10.673 8.262 -8.804 1.00 0.00 C ATOM 1364 OG SER A 101 -10.516 8.959 -10.028 1.00 0.00 O ATOM 0 H SER A 101 -11.449 5.539 -9.997 1.00 0.00 H new ATOM 0 HA SER A 101 -9.003 6.918 -9.298 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.724 8.187 -8.524 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.161 8.774 -7.989 1.00 0.00 H new ATOM 0 HG SER A 101 -9.765 8.576 -10.528 1.00 0.00 H new ATOM 1370 N LEU A 102 -9.438 6.344 -6.817 1.00 0.00 N ATOM 1371 CA LEU A 102 -9.564 5.618 -5.536 1.00 0.00 C ATOM 1372 C LEU A 102 -10.214 6.520 -4.517 1.00 0.00 C ATOM 1373 O LEU A 102 -9.582 7.408 -3.976 1.00 0.00 O ATOM 1374 CB LEU A 102 -8.166 5.228 -4.981 1.00 0.00 C ATOM 1375 CG LEU A 102 -7.395 4.292 -5.944 1.00 0.00 C ATOM 1376 CD1 LEU A 102 -6.406 3.455 -5.132 1.00 0.00 C ATOM 1377 CD2 LEU A 102 -8.328 3.348 -6.680 1.00 0.00 C ATOM 0 H LEU A 102 -8.682 7.028 -6.860 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.157 4.721 -5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.581 6.131 -4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.285 4.736 -4.016 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.883 4.913 -6.679 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.857 2.791 -5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.706 4.115 -4.620 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.949 2.861 -4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.748 2.708 -7.345 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.864 2.731 -5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.043 3.926 -7.265 1.00 0.00 H new ATOM 1534 N LYS A 112 -7.014 10.458 -7.644 1.00 0.00 N ATOM 1535 CA LYS A 112 -6.617 9.499 -8.709 1.00 0.00 C ATOM 1536 C LYS A 112 -5.118 9.240 -8.664 1.00 0.00 C ATOM 1537 O LYS A 112 -4.336 10.160 -8.518 1.00 0.00 O ATOM 1538 CB LYS A 112 -6.964 10.116 -10.075 1.00 0.00 C ATOM 1539 CG LYS A 112 -8.348 10.765 -10.002 1.00 0.00 C ATOM 1540 CD LYS A 112 -8.190 12.280 -9.875 1.00 0.00 C ATOM 1541 CE LYS A 112 -9.517 12.883 -9.402 1.00 0.00 C ATOM 1542 NZ LYS A 112 -10.666 12.230 -10.090 1.00 0.00 N ATOM 0 HA LYS A 112 -7.146 8.558 -8.556 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.216 10.859 -10.352 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.951 9.347 -10.848 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.924 10.522 -10.895 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.902 10.373 -9.149 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -7.395 12.517 -9.168 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.902 12.710 -10.834 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -9.614 12.760 -8.323 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -9.528 13.954 -9.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -11.497 12.854 -10.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -10.419 12.052 -11.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.884 11.328 -9.621 1.00 0.00 H new ATOM 1556 N LEU A 113 -4.740 7.993 -8.796 1.00 0.00 N ATOM 1557 CA LEU A 113 -3.288 7.665 -8.761 1.00 0.00 C ATOM 1558 C LEU A 113 -2.722 7.557 -10.176 1.00 0.00 C ATOM 1559 O LEU A 113 -2.191 6.543 -10.566 1.00 0.00 O ATOM 1560 CB LEU A 113 -3.088 6.318 -8.014 1.00 0.00 C ATOM 1561 CG LEU A 113 -4.303 5.404 -8.223 1.00 0.00 C ATOM 1562 CD1 LEU A 113 -4.469 5.079 -9.712 1.00 0.00 C ATOM 1563 CD2 LEU A 113 -4.077 4.106 -7.459 1.00 0.00 C ATOM 0 H LEU A 113 -5.367 7.199 -8.925 1.00 0.00 H new ATOM 0 HA LEU A 113 -2.759 8.463 -8.240 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.187 5.824 -8.377 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.943 6.503 -6.950 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.200 5.909 -7.864 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -5.334 4.430 -9.849 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.616 6.003 -10.272 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -3.575 4.573 -10.076 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.934 3.447 -7.599 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.178 3.616 -7.832 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.957 4.325 -6.398 1.00 0.00 H new ATOM 1575 N LEU A 114 -2.864 8.611 -10.922 1.00 0.00 N ATOM 1576 CA LEU A 114 -2.347 8.601 -12.307 1.00 0.00 C ATOM 1577 C LEU A 114 -0.971 9.226 -12.356 1.00 0.00 C ATOM 1578 O LEU A 114 -0.664 9.996 -13.245 1.00 0.00 O ATOM 1579 CB LEU A 114 -3.299 9.435 -13.173 1.00 0.00 C ATOM 1580 CG LEU A 114 -4.565 8.633 -13.431 1.00 0.00 C ATOM 1581 CD1 LEU A 114 -5.736 9.588 -13.665 1.00 0.00 C ATOM 1582 CD2 LEU A 114 -4.361 7.778 -14.673 1.00 0.00 C ATOM 0 H LEU A 114 -3.316 9.478 -10.630 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.283 7.575 -12.669 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.542 10.371 -12.671 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.819 9.695 -14.117 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.781 7.999 -12.571 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -6.643 9.013 -13.850 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -5.877 10.214 -12.784 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.524 10.219 -14.528 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.263 7.198 -14.868 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.152 8.422 -15.527 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.522 7.101 -14.515 1.00 0.00 H new ATOM 1594 N TYR A 115 -0.161 8.889 -11.394 1.00 0.00 N ATOM 1595 CA TYR A 115 1.200 9.457 -11.366 1.00 0.00 C ATOM 1596 C TYR A 115 2.208 8.482 -10.759 1.00 0.00 C ATOM 1597 O TYR A 115 2.676 8.680 -9.658 1.00 0.00 O ATOM 1598 CB TYR A 115 1.142 10.727 -10.505 1.00 0.00 C ATOM 1599 CG TYR A 115 -0.110 11.512 -10.901 1.00 0.00 C ATOM 1600 CD1 TYR A 115 -1.320 11.258 -10.284 1.00 0.00 C ATOM 1601 CD2 TYR A 115 -0.064 12.438 -11.922 1.00 0.00 C ATOM 1602 CE1 TYR A 115 -2.466 11.915 -10.687 1.00 0.00 C ATOM 1603 CE2 TYR A 115 -1.209 13.094 -12.327 1.00 0.00 C ATOM 1604 CZ TYR A 115 -2.419 12.839 -11.712 1.00 0.00 C ATOM 1605 OH TYR A 115 -3.564 13.498 -12.115 1.00 0.00 O ATOM 0 H TYR A 115 -0.386 8.248 -10.633 1.00 0.00 H new ATOM 0 HA TYR A 115 1.526 9.670 -12.384 1.00 0.00 H new ATOM 0 HB2 TYR A 115 1.110 10.468 -9.447 1.00 0.00 H new ATOM 0 HB3 TYR A 115 2.035 11.332 -10.659 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -1.370 10.539 -9.479 1.00 0.00 H new ATOM 0 HD2 TYR A 115 0.876 12.652 -12.409 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -3.405 11.705 -10.197 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -1.158 13.813 -13.132 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.347 14.113 -12.847 1.00 0.00 H new ATOM 1615 N PRO A 116 2.529 7.434 -11.503 1.00 0.00 N ATOM 1616 CA PRO A 116 3.482 6.431 -11.033 1.00 0.00 C ATOM 1617 C PRO A 116 4.875 7.048 -10.950 1.00 0.00 C ATOM 1618 O PRO A 116 5.111 8.094 -11.524 1.00 0.00 O ATOM 1619 CB PRO A 116 3.466 5.334 -12.114 1.00 0.00 C ATOM 1620 CG PRO A 116 2.496 5.804 -13.244 1.00 0.00 C ATOM 1621 CD PRO A 116 1.977 7.196 -12.848 1.00 0.00 C ATOM 0 HA PRO A 116 3.227 6.045 -10.046 1.00 0.00 H new ATOM 0 HB2 PRO A 116 4.468 5.172 -12.511 1.00 0.00 H new ATOM 0 HB3 PRO A 116 3.133 4.385 -11.693 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.013 5.845 -14.203 1.00 0.00 H new ATOM 0 HG3 PRO A 116 1.669 5.103 -13.357 1.00 0.00 H new ATOM 0 HD2 PRO A 116 2.310 7.958 -13.553 1.00 0.00 H new ATOM 0 HD3 PRO A 116 0.887 7.224 -12.839 1.00 0.00 H new ATOM 1629 N VAL A 117 5.772 6.402 -10.242 1.00 0.00 N ATOM 1630 CA VAL A 117 7.154 6.961 -10.126 1.00 0.00 C ATOM 1631 C VAL A 117 8.179 6.023 -10.703 1.00 0.00 C ATOM 1632 O VAL A 117 9.321 6.382 -10.910 1.00 0.00 O ATOM 1633 CB VAL A 117 7.460 7.159 -8.650 1.00 0.00 C ATOM 1634 CG1 VAL A 117 7.423 8.651 -8.320 1.00 0.00 C ATOM 1635 CG2 VAL A 117 6.415 6.425 -7.814 1.00 0.00 C ATOM 0 H VAL A 117 5.609 5.525 -9.747 1.00 0.00 H new ATOM 0 HA VAL A 117 7.199 7.900 -10.678 1.00 0.00 H new ATOM 0 HB VAL A 117 8.450 6.762 -8.425 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.642 8.795 -7.262 1.00 0.00 H new ATOM 0 HG12 VAL A 117 8.168 9.175 -8.919 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.433 9.048 -8.543 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.632 6.565 -6.755 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.425 6.823 -8.037 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.440 5.362 -8.052 1.00 0.00 H new ATOM 1645 N SER A 118 7.751 4.857 -10.947 1.00 0.00 N ATOM 1646 CA SER A 118 8.662 3.836 -11.518 1.00 0.00 C ATOM 1647 C SER A 118 9.510 4.418 -12.634 1.00 0.00 C ATOM 1648 O SER A 118 9.089 5.312 -13.340 1.00 0.00 O ATOM 1649 CB SER A 118 7.815 2.699 -12.083 1.00 0.00 C ATOM 1650 OG SER A 118 6.480 3.103 -11.828 1.00 0.00 O ATOM 0 H SER A 118 6.796 4.541 -10.780 1.00 0.00 H new ATOM 0 HA SER A 118 9.328 3.479 -10.732 1.00 0.00 H new ATOM 0 HB2 SER A 118 7.993 2.561 -13.149 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.045 1.751 -11.596 1.00 0.00 H new ATOM 0 HG SER A 118 5.917 2.878 -12.598 1.00 0.00 H new