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 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 115 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 88 ASN : amide:sc= -1.53! C(o=-1.9!,f=-8!) USER MOD Set 2.2: A 89 SER OG : rot 180:sc= -0.33 USER MOD Set 3.1: A 39 THR OG1 : rot -90:sc= 0.00727 USER MOD Set 3.2: A 43 THR OG1 : rot 170:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -169:sc= -0.133 USER MOD Single : A 33 ASN : amide:sc= -4.93! C(o=-4.9!,f=-7!) USER MOD Single : A 35 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0976) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -51:sc= 0.391 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.0528 F(o=-1,f=-0.053) USER MOD Single : A 67 ASN :FLIP amide:sc= -2.81! C(o=-9.2!,f=-2.8!) USER MOD Single : A 68 LYS NZ :NH3+ -166:sc= -0.823 (180deg=-1.38!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -4.4! C(o=-4.4!,f=-8.5!) USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= 0.662 (180deg=0.432) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -30:sc= 0.642 USER MOD Single : A 95 ASN : amide:sc= -0.443 K(o=-0.44,f=-4.1!) USER MOD Single : A 96 HIS : no HE2:sc= -1.44! C(o=-1.4!,f=-4.4!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.0999 K(o=-0.1,f=-1.2) USER MOD Single : A 101 SER OG : rot 48:sc= 0.529 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 17 0.945 -8.990 -14.767 1.00 0.00 N ATOM 2 CA LEU A 17 1.972 -8.343 -13.914 1.00 0.00 C ATOM 3 C LEU A 17 3.323 -8.970 -14.188 1.00 0.00 C ATOM 4 O LEU A 17 4.031 -9.378 -13.289 1.00 0.00 O ATOM 5 CB LEU A 17 1.603 -8.532 -12.419 1.00 0.00 C ATOM 6 CG LEU A 17 2.021 -7.296 -11.586 1.00 0.00 C ATOM 7 CD1 LEU A 17 1.172 -7.253 -10.320 1.00 0.00 C ATOM 8 CD2 LEU A 17 3.495 -7.414 -11.193 1.00 0.00 C ATOM 0 HA LEU A 17 2.014 -7.278 -14.142 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.529 -8.694 -12.323 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.096 -9.422 -12.028 1.00 0.00 H new ATOM 0 HG LEU A 17 1.875 -6.389 -12.173 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.455 -6.387 -9.722 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.119 -7.179 -10.591 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.335 -8.162 -9.742 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.786 -6.542 -10.607 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.642 -8.316 -10.599 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.108 -7.468 -12.093 1.00 0.00 H new ATOM 22 N GLN A 18 3.656 -9.035 -15.432 1.00 0.00 N ATOM 23 CA GLN A 18 4.948 -9.624 -15.805 1.00 0.00 C ATOM 24 C GLN A 18 6.058 -8.688 -15.389 1.00 0.00 C ATOM 25 O GLN A 18 7.208 -9.069 -15.288 1.00 0.00 O ATOM 26 CB GLN A 18 4.972 -9.792 -17.327 1.00 0.00 C ATOM 27 CG GLN A 18 6.276 -10.463 -17.735 1.00 0.00 C ATOM 28 CD GLN A 18 5.962 -11.686 -18.599 1.00 0.00 C ATOM 29 OE1 GLN A 18 5.792 -12.782 -18.103 1.00 0.00 O ATOM 30 NE2 GLN A 18 5.876 -11.542 -19.893 1.00 0.00 N ATOM 0 H GLN A 18 3.085 -8.703 -16.209 1.00 0.00 H new ATOM 0 HA GLN A 18 5.085 -10.587 -15.314 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.123 -10.393 -17.652 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.881 -8.821 -17.814 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.902 -9.763 -18.288 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.838 -10.762 -16.850 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.018 -10.624 -20.315 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.667 -12.347 -20.483 1.00 0.00 H new ATOM 39 N ASP A 19 5.681 -7.472 -15.153 1.00 0.00 N ATOM 40 CA ASP A 19 6.664 -6.464 -14.740 1.00 0.00 C ATOM 41 C ASP A 19 5.961 -5.247 -14.177 1.00 0.00 C ATOM 42 O ASP A 19 6.518 -4.508 -13.389 1.00 0.00 O ATOM 43 CB ASP A 19 7.448 -6.040 -15.975 1.00 0.00 C ATOM 44 CG ASP A 19 8.950 -6.114 -15.687 1.00 0.00 C ATOM 45 OD1 ASP A 19 9.324 -5.625 -14.634 1.00 0.00 O ATOM 46 OD2 ASP A 19 9.639 -6.652 -16.538 1.00 0.00 O ATOM 0 H ASP A 19 4.721 -7.135 -15.231 1.00 0.00 H new ATOM 0 HA ASP A 19 7.320 -6.883 -13.977 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.197 -6.687 -16.816 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.173 -5.025 -16.261 1.00 0.00 H new ATOM 51 N ALA A 20 4.743 -5.065 -14.589 1.00 0.00 N ATOM 52 CA ALA A 20 3.969 -3.896 -14.094 1.00 0.00 C ATOM 53 C ALA A 20 4.718 -2.601 -14.396 1.00 0.00 C ATOM 54 O ALA A 20 5.742 -2.620 -15.052 1.00 0.00 O ATOM 55 CB ALA A 20 3.807 -4.028 -12.575 1.00 0.00 C ATOM 0 H ALA A 20 4.250 -5.671 -15.244 1.00 0.00 H new ATOM 0 HA ALA A 20 2.997 -3.870 -14.587 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.241 -3.178 -12.194 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.275 -4.951 -12.345 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.790 -4.049 -12.105 1.00 0.00 H new ATOM 61 N GLU A 21 4.196 -1.496 -13.915 1.00 0.00 N ATOM 62 CA GLU A 21 4.875 -0.194 -14.169 1.00 0.00 C ATOM 63 C GLU A 21 4.870 0.681 -12.917 1.00 0.00 C ATOM 64 O GLU A 21 5.528 1.698 -12.879 1.00 0.00 O ATOM 65 CB GLU A 21 4.143 0.539 -15.307 1.00 0.00 C ATOM 66 CG GLU A 21 2.766 0.974 -14.825 1.00 0.00 C ATOM 67 CD GLU A 21 1.913 1.378 -16.028 1.00 0.00 C ATOM 68 OE1 GLU A 21 1.488 0.467 -16.721 1.00 0.00 O ATOM 69 OE2 GLU A 21 1.733 2.574 -16.186 1.00 0.00 O ATOM 0 H GLU A 21 3.339 -1.444 -13.364 1.00 0.00 H new ATOM 0 HA GLU A 21 5.911 -0.388 -14.447 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.720 1.407 -15.625 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.047 -0.115 -16.173 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.285 0.161 -14.281 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.858 1.811 -14.133 1.00 0.00 H new ATOM 76 N TRP A 22 4.117 0.274 -11.916 1.00 0.00 N ATOM 77 CA TRP A 22 4.068 1.080 -10.657 1.00 0.00 C ATOM 78 C TRP A 22 4.890 0.391 -9.589 1.00 0.00 C ATOM 79 O TRP A 22 5.400 1.012 -8.678 1.00 0.00 O ATOM 80 CB TRP A 22 2.620 1.181 -10.164 1.00 0.00 C ATOM 81 CG TRP A 22 1.662 0.734 -11.272 1.00 0.00 C ATOM 82 CD1 TRP A 22 1.199 1.538 -12.202 1.00 0.00 C ATOM 83 CD2 TRP A 22 1.193 -0.484 -11.422 1.00 0.00 C ATOM 84 NE1 TRP A 22 0.410 0.748 -12.948 1.00 0.00 N ATOM 85 CE2 TRP A 22 0.351 -0.558 -12.515 1.00 0.00 C ATOM 86 CE3 TRP A 22 1.421 -1.613 -10.665 1.00 0.00 C ATOM 87 CZ2 TRP A 22 -0.250 -1.751 -12.839 1.00 0.00 C ATOM 88 CZ3 TRP A 22 0.817 -2.795 -10.990 1.00 0.00 C ATOM 89 CH2 TRP A 22 -0.013 -2.868 -12.072 1.00 0.00 C ATOM 0 H TRP A 22 3.544 -0.570 -11.919 1.00 0.00 H new ATOM 0 HA TRP A 22 4.464 2.076 -10.856 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.483 0.559 -9.280 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.397 2.207 -9.870 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.405 2.590 -12.336 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -0.101 1.086 -13.764 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.080 -1.563 -9.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.907 -1.811 -13.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 0.997 -3.674 -10.389 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.485 -3.806 -12.326 1.00 0.00 H new ATOM 100 N TYR A 23 4.994 -0.893 -9.733 1.00 0.00 N ATOM 101 CA TYR A 23 5.768 -1.699 -8.764 1.00 0.00 C ATOM 102 C TYR A 23 7.215 -1.817 -9.226 1.00 0.00 C ATOM 103 O TYR A 23 7.481 -2.142 -10.365 1.00 0.00 O ATOM 104 CB TYR A 23 5.136 -3.106 -8.722 1.00 0.00 C ATOM 105 CG TYR A 23 3.812 -3.114 -7.896 1.00 0.00 C ATOM 106 CD1 TYR A 23 3.122 -1.936 -7.570 1.00 0.00 C ATOM 107 CD2 TYR A 23 3.271 -4.320 -7.495 1.00 0.00 C ATOM 108 CE1 TYR A 23 1.937 -1.990 -6.872 1.00 0.00 C ATOM 109 CE2 TYR A 23 2.080 -4.360 -6.794 1.00 0.00 C ATOM 110 CZ TYR A 23 1.407 -3.199 -6.479 1.00 0.00 C ATOM 111 OH TYR A 23 0.218 -3.248 -5.782 1.00 0.00 O ATOM 0 H TYR A 23 4.569 -1.425 -10.492 1.00 0.00 H new ATOM 0 HA TYR A 23 5.750 -1.230 -7.780 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.934 -3.446 -9.738 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.843 -3.811 -8.285 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.524 -0.979 -7.869 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.783 -5.241 -7.731 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.417 -1.075 -6.630 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.672 -5.312 -6.490 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.008 -4.181 -5.587 1.00 0.00 H new ATOM 121 N TRP A 24 8.123 -1.548 -8.336 1.00 0.00 N ATOM 122 CA TRP A 24 9.551 -1.637 -8.703 1.00 0.00 C ATOM 123 C TRP A 24 10.052 -3.038 -8.450 1.00 0.00 C ATOM 124 O TRP A 24 11.098 -3.429 -8.927 1.00 0.00 O ATOM 125 CB TRP A 24 10.365 -0.690 -7.797 1.00 0.00 C ATOM 126 CG TRP A 24 9.976 0.797 -8.024 1.00 0.00 C ATOM 127 CD1 TRP A 24 8.721 1.249 -8.116 1.00 0.00 C ATOM 128 CD2 TRP A 24 10.840 1.809 -8.069 1.00 0.00 C ATOM 129 NE1 TRP A 24 8.864 2.573 -8.214 1.00 0.00 N ATOM 130 CE2 TRP A 24 10.160 3.010 -8.189 1.00 0.00 C ATOM 131 CE3 TRP A 24 12.235 1.838 -8.010 1.00 0.00 C ATOM 132 CZ2 TRP A 24 10.831 4.201 -8.241 1.00 0.00 C ATOM 133 CZ3 TRP A 24 12.907 3.045 -8.066 1.00 0.00 C ATOM 134 CH2 TRP A 24 12.204 4.225 -8.181 1.00 0.00 C ATOM 0 H TRP A 24 7.935 -1.271 -7.373 1.00 0.00 H new ATOM 0 HA TRP A 24 9.663 -1.371 -9.754 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.200 -0.954 -6.753 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.429 -0.822 -7.995 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.805 0.677 -8.112 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.070 3.208 -8.301 1.00 0.00 H new ATOM 0 HE3 TRP A 24 12.790 0.916 -7.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.280 5.126 -8.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 13.986 3.063 -8.020 1.00 0.00 H new ATOM 0 HH2 TRP A 24 12.731 5.167 -8.224 1.00 0.00 H new ATOM 145 N GLY A 25 9.283 -3.760 -7.695 1.00 0.00 N ATOM 146 CA GLY A 25 9.654 -5.154 -7.362 1.00 0.00 C ATOM 147 C GLY A 25 9.605 -5.318 -5.857 1.00 0.00 C ATOM 148 O GLY A 25 8.729 -5.970 -5.323 1.00 0.00 O ATOM 0 H GLY A 25 8.403 -3.440 -7.290 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.969 -5.853 -7.842 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.653 -5.380 -7.735 1.00 0.00 H new ATOM 152 N ASP A 26 10.543 -4.702 -5.206 1.00 0.00 N ATOM 153 CA ASP A 26 10.598 -4.787 -3.741 1.00 0.00 C ATOM 154 C ASP A 26 11.687 -3.851 -3.175 1.00 0.00 C ATOM 155 O ASP A 26 12.865 -4.095 -3.350 1.00 0.00 O ATOM 156 CB ASP A 26 10.936 -6.248 -3.368 1.00 0.00 C ATOM 157 CG ASP A 26 12.381 -6.572 -3.767 1.00 0.00 C ATOM 158 OD1 ASP A 26 12.572 -6.839 -4.943 1.00 0.00 O ATOM 159 OD2 ASP A 26 13.211 -6.536 -2.873 1.00 0.00 O ATOM 0 H ASP A 26 11.277 -4.140 -5.636 1.00 0.00 H new ATOM 0 HA ASP A 26 9.640 -4.483 -3.320 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.804 -6.398 -2.296 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.250 -6.928 -3.872 1.00 0.00 H new ATOM 164 N ILE A 27 11.270 -2.774 -2.527 1.00 0.00 N ATOM 165 CA ILE A 27 12.287 -1.823 -1.950 1.00 0.00 C ATOM 166 C ILE A 27 11.931 -1.495 -0.497 1.00 0.00 C ATOM 167 O ILE A 27 11.314 -2.291 0.173 1.00 0.00 O ATOM 168 CB ILE A 27 12.347 -0.504 -2.781 1.00 0.00 C ATOM 169 CG1 ILE A 27 10.979 0.222 -2.815 1.00 0.00 C ATOM 170 CG2 ILE A 27 12.821 -0.823 -4.227 1.00 0.00 C ATOM 171 CD1 ILE A 27 10.049 -0.344 -3.903 1.00 0.00 C ATOM 0 H ILE A 27 10.294 -2.519 -2.377 1.00 0.00 H new ATOM 0 HA ILE A 27 13.264 -2.305 -1.987 1.00 0.00 H new ATOM 0 HB ILE A 27 13.058 0.167 -2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.496 0.130 -1.842 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.138 1.286 -2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.863 0.098 -4.808 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.812 -1.276 -4.193 1.00 0.00 H new ATOM 0 HG23 ILE A 27 12.121 -1.515 -4.695 1.00 0.00 H new ATOM 0 HD11 ILE A 27 9.102 0.196 -3.889 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.519 -0.228 -4.880 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.867 -1.401 -3.712 1.00 0.00 H new ATOM 183 N SER A 28 12.323 -0.330 -0.036 1.00 0.00 N ATOM 184 CA SER A 28 12.005 0.041 1.368 1.00 0.00 C ATOM 185 C SER A 28 11.634 1.507 1.471 1.00 0.00 C ATOM 186 O SER A 28 11.606 2.213 0.484 1.00 0.00 O ATOM 187 CB SER A 28 13.247 -0.213 2.233 1.00 0.00 C ATOM 188 OG SER A 28 14.315 0.336 1.478 1.00 0.00 O ATOM 0 H SER A 28 12.843 0.368 -0.568 1.00 0.00 H new ATOM 0 HA SER A 28 11.160 -0.558 1.708 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.159 0.268 3.207 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.394 -1.277 2.416 1.00 0.00 H new ATOM 0 HG SER A 28 15.169 0.065 1.875 1.00 0.00 H new ATOM 194 N ARG A 29 11.362 1.943 2.667 1.00 0.00 N ATOM 195 CA ARG A 29 10.993 3.353 2.854 1.00 0.00 C ATOM 196 C ARG A 29 12.119 4.255 2.410 1.00 0.00 C ATOM 197 O ARG A 29 11.957 5.440 2.312 1.00 0.00 O ATOM 198 CB ARG A 29 10.706 3.603 4.340 1.00 0.00 C ATOM 199 CG ARG A 29 11.889 3.138 5.190 1.00 0.00 C ATOM 200 CD ARG A 29 11.344 2.540 6.474 1.00 0.00 C ATOM 201 NE ARG A 29 12.470 2.303 7.417 1.00 0.00 N ATOM 202 CZ ARG A 29 12.690 1.097 7.859 1.00 0.00 C ATOM 203 NH1 ARG A 29 12.787 0.118 7.001 1.00 0.00 N ATOM 204 NH2 ARG A 29 12.804 0.907 9.145 1.00 0.00 N ATOM 0 H ARG A 29 11.382 1.378 3.516 1.00 0.00 H new ATOM 0 HA ARG A 29 10.108 3.570 2.256 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.522 4.664 4.509 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.803 3.071 4.638 1.00 0.00 H new ATOM 0 HG2 ARG A 29 12.480 2.400 4.648 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.550 3.976 5.411 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.614 3.214 6.922 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.827 1.604 6.263 1.00 0.00 H new ATOM 0 HE ARG A 29 13.064 3.077 7.715 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.691 0.303 6.003 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.959 -0.832 7.329 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.721 1.696 9.786 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.976 -0.030 9.509 1.00 0.00 H new ATOM 218 N GLU A 30 13.247 3.670 2.145 1.00 0.00 N ATOM 219 CA GLU A 30 14.393 4.488 1.704 1.00 0.00 C ATOM 220 C GLU A 30 14.198 4.950 0.268 1.00 0.00 C ATOM 221 O GLU A 30 14.228 6.133 -0.012 1.00 0.00 O ATOM 222 CB GLU A 30 15.660 3.632 1.795 1.00 0.00 C ATOM 223 CG GLU A 30 15.628 2.849 3.107 1.00 0.00 C ATOM 224 CD GLU A 30 16.974 2.153 3.318 1.00 0.00 C ATOM 225 OE1 GLU A 30 17.114 1.072 2.771 1.00 0.00 O ATOM 226 OE2 GLU A 30 17.784 2.742 4.014 1.00 0.00 O ATOM 0 H GLU A 30 13.421 2.667 2.215 1.00 0.00 H new ATOM 0 HA GLU A 30 14.478 5.368 2.341 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.716 2.948 0.948 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.547 4.264 1.754 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.420 3.521 3.939 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.825 2.112 3.084 1.00 0.00 H new ATOM 233 N GLU A 31 13.995 4.014 -0.624 1.00 0.00 N ATOM 234 CA GLU A 31 13.797 4.404 -2.031 1.00 0.00 C ATOM 235 C GLU A 31 12.394 4.946 -2.218 1.00 0.00 C ATOM 236 O GLU A 31 12.199 5.988 -2.813 1.00 0.00 O ATOM 237 CB GLU A 31 13.981 3.168 -2.913 1.00 0.00 C ATOM 238 CG GLU A 31 14.170 3.621 -4.355 1.00 0.00 C ATOM 239 CD GLU A 31 13.936 2.440 -5.292 1.00 0.00 C ATOM 240 OE1 GLU A 31 12.774 2.128 -5.480 1.00 0.00 O ATOM 241 OE2 GLU A 31 14.930 1.918 -5.769 1.00 0.00 O ATOM 0 H GLU A 31 13.960 3.013 -0.432 1.00 0.00 H new ATOM 0 HA GLU A 31 14.519 5.173 -2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.845 2.592 -2.581 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.113 2.514 -2.833 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.475 4.428 -4.588 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.176 4.016 -4.495 1.00 0.00 H new ATOM 248 N VAL A 32 11.434 4.227 -1.701 1.00 0.00 N ATOM 249 CA VAL A 32 10.031 4.689 -1.836 1.00 0.00 C ATOM 250 C VAL A 32 9.939 6.157 -1.426 1.00 0.00 C ATOM 251 O VAL A 32 9.547 7.003 -2.205 1.00 0.00 O ATOM 252 CB VAL A 32 9.152 3.833 -0.882 1.00 0.00 C ATOM 253 CG1 VAL A 32 7.944 4.653 -0.408 1.00 0.00 C ATOM 254 CG2 VAL A 32 8.650 2.571 -1.611 1.00 0.00 C ATOM 0 H VAL A 32 11.562 3.350 -1.197 1.00 0.00 H new ATOM 0 HA VAL A 32 9.692 4.584 -2.867 1.00 0.00 H new ATOM 0 HB VAL A 32 9.756 3.539 -0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.332 4.047 0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.292 5.540 0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.349 4.956 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.035 1.979 -0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.056 2.863 -2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.503 1.977 -1.939 1.00 0.00 H new ATOM 264 N ASN A 33 10.305 6.428 -0.201 1.00 0.00 N ATOM 265 CA ASN A 33 10.253 7.833 0.296 1.00 0.00 C ATOM 266 C ASN A 33 11.052 8.778 -0.592 1.00 0.00 C ATOM 267 O ASN A 33 10.493 9.601 -1.287 1.00 0.00 O ATOM 268 CB ASN A 33 10.882 7.874 1.695 1.00 0.00 C ATOM 269 CG ASN A 33 10.729 9.275 2.281 1.00 0.00 C ATOM 270 OD1 ASN A 33 11.381 10.205 1.858 1.00 0.00 O ATOM 271 ND2 ASN A 33 9.886 9.467 3.257 1.00 0.00 N ATOM 0 H ASN A 33 10.637 5.739 0.474 1.00 0.00 H new ATOM 0 HA ASN A 33 9.210 8.150 0.301 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.400 7.142 2.344 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.937 7.605 1.639 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.777 10.397 3.661 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.335 8.687 3.616 1.00 0.00 H new ATOM 278 N GLU A 34 12.357 8.632 -0.535 1.00 0.00 N ATOM 279 CA GLU A 34 13.262 9.498 -1.356 1.00 0.00 C ATOM 280 C GLU A 34 12.643 9.910 -2.684 1.00 0.00 C ATOM 281 O GLU A 34 12.925 10.976 -3.194 1.00 0.00 O ATOM 282 CB GLU A 34 14.554 8.714 -1.635 1.00 0.00 C ATOM 283 CG GLU A 34 15.431 8.732 -0.380 1.00 0.00 C ATOM 284 CD GLU A 34 16.663 7.855 -0.610 1.00 0.00 C ATOM 285 OE1 GLU A 34 16.508 6.653 -0.461 1.00 0.00 O ATOM 286 OE2 GLU A 34 17.690 8.433 -0.921 1.00 0.00 O ATOM 0 H GLU A 34 12.835 7.946 0.049 1.00 0.00 H new ATOM 0 HA GLU A 34 13.452 10.411 -0.791 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.318 7.687 -1.914 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.089 9.158 -2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.735 9.753 -0.150 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.866 8.367 0.478 1.00 0.00 H new ATOM 293 N LYS A 35 11.815 9.073 -3.218 1.00 0.00 N ATOM 294 CA LYS A 35 11.179 9.418 -4.513 1.00 0.00 C ATOM 295 C LYS A 35 9.862 10.137 -4.303 1.00 0.00 C ATOM 296 O LYS A 35 9.517 11.040 -5.037 1.00 0.00 O ATOM 297 CB LYS A 35 10.913 8.133 -5.278 1.00 0.00 C ATOM 298 CG LYS A 35 11.500 8.269 -6.682 1.00 0.00 C ATOM 299 CD LYS A 35 10.813 9.435 -7.416 1.00 0.00 C ATOM 300 CE LYS A 35 10.638 9.072 -8.894 1.00 0.00 C ATOM 301 NZ LYS A 35 11.963 8.851 -9.538 1.00 0.00 N ATOM 0 H LYS A 35 11.550 8.171 -2.822 1.00 0.00 H new ATOM 0 HA LYS A 35 11.849 10.076 -5.066 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.363 7.285 -4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.841 7.941 -5.333 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.574 8.445 -6.623 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.359 7.342 -7.238 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.843 9.643 -6.964 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.410 10.342 -7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.029 8.173 -8.984 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.105 9.871 -9.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.844 8.808 -10.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.602 9.635 -9.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.369 7.956 -9.198 1.00 0.00 H new ATOM 315 N LEU A 36 9.154 9.723 -3.308 1.00 0.00 N ATOM 316 CA LEU A 36 7.847 10.366 -3.025 1.00 0.00 C ATOM 317 C LEU A 36 8.020 11.807 -2.568 1.00 0.00 C ATOM 318 O LEU A 36 7.176 12.642 -2.825 1.00 0.00 O ATOM 319 CB LEU A 36 7.134 9.556 -1.926 1.00 0.00 C ATOM 320 CG LEU A 36 6.058 8.662 -2.570 1.00 0.00 C ATOM 321 CD1 LEU A 36 6.718 7.602 -3.446 1.00 0.00 C ATOM 322 CD2 LEU A 36 5.261 7.960 -1.473 1.00 0.00 C ATOM 0 H LEU A 36 9.418 8.968 -2.675 1.00 0.00 H new ATOM 0 HA LEU A 36 7.256 10.380 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.855 8.944 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.677 10.229 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 36 5.399 9.283 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.950 6.974 -3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.298 8.088 -4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.378 6.986 -2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.498 7.326 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.932 7.347 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.783 8.705 -0.837 1.00 0.00 H new ATOM 334 N ARG A 37 9.096 12.077 -1.888 1.00 0.00 N ATOM 335 CA ARG A 37 9.324 13.465 -1.416 1.00 0.00 C ATOM 336 C ARG A 37 9.814 14.327 -2.552 1.00 0.00 C ATOM 337 O ARG A 37 10.736 15.105 -2.408 1.00 0.00 O ATOM 338 CB ARG A 37 10.379 13.438 -0.322 1.00 0.00 C ATOM 339 CG ARG A 37 10.036 12.331 0.668 1.00 0.00 C ATOM 340 CD ARG A 37 8.581 12.489 1.111 1.00 0.00 C ATOM 341 NE ARG A 37 8.388 11.792 2.417 1.00 0.00 N ATOM 342 CZ ARG A 37 7.780 12.416 3.393 1.00 0.00 C ATOM 343 NH1 ARG A 37 6.502 12.659 3.286 1.00 0.00 N ATOM 344 NH2 ARG A 37 8.469 12.775 4.443 1.00 0.00 N ATOM 0 H ARG A 37 9.821 11.403 -1.641 1.00 0.00 H new ATOM 0 HA ARG A 37 8.389 13.877 -1.036 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.365 13.266 -0.753 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.418 14.401 0.188 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.185 11.355 0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.699 12.380 1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.330 13.545 1.208 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.912 12.071 0.359 1.00 0.00 H new ATOM 0 HE ARG A 37 8.727 10.839 2.547 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.995 12.363 2.452 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.011 13.144 4.037 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.467 12.568 4.494 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.010 13.262 5.212 1.00 0.00 H new ATOM 358 N ASP A 38 9.180 14.168 -3.664 1.00 0.00 N ATOM 359 CA ASP A 38 9.564 14.955 -4.858 1.00 0.00 C ATOM 360 C ASP A 38 8.566 14.718 -5.983 1.00 0.00 C ATOM 361 O ASP A 38 8.940 14.575 -7.131 1.00 0.00 O ATOM 362 CB ASP A 38 10.957 14.494 -5.322 1.00 0.00 C ATOM 363 CG ASP A 38 11.626 15.617 -6.116 1.00 0.00 C ATOM 364 OD1 ASP A 38 11.898 16.631 -5.495 1.00 0.00 O ATOM 365 OD2 ASP A 38 11.826 15.396 -7.299 1.00 0.00 O ATOM 0 H ASP A 38 8.404 13.521 -3.803 1.00 0.00 H new ATOM 0 HA ASP A 38 9.574 16.016 -4.606 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.570 14.228 -4.461 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.869 13.600 -5.939 1.00 0.00 H new ATOM 370 N THR A 39 7.309 14.680 -5.630 1.00 0.00 N ATOM 371 CA THR A 39 6.267 14.452 -6.658 1.00 0.00 C ATOM 372 C THR A 39 4.991 15.216 -6.316 1.00 0.00 C ATOM 373 O THR A 39 4.991 16.075 -5.457 1.00 0.00 O ATOM 374 CB THR A 39 5.954 12.950 -6.693 1.00 0.00 C ATOM 375 OG1 THR A 39 5.999 12.529 -5.343 1.00 0.00 O ATOM 376 CG2 THR A 39 7.089 12.173 -7.377 1.00 0.00 C ATOM 0 H THR A 39 6.965 14.797 -4.677 1.00 0.00 H new ATOM 0 HA THR A 39 6.630 14.802 -7.624 1.00 0.00 H new ATOM 0 HB THR A 39 5.009 12.780 -7.209 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.910 12.245 -5.119 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.846 11.111 -7.391 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.210 12.531 -8.400 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.018 12.326 -6.827 1.00 0.00 H new ATOM 384 N ALA A 40 3.925 14.889 -6.997 1.00 0.00 N ATOM 385 CA ALA A 40 2.644 15.584 -6.725 1.00 0.00 C ATOM 386 C ALA A 40 1.984 15.035 -5.462 1.00 0.00 C ATOM 387 O ALA A 40 2.626 14.394 -4.655 1.00 0.00 O ATOM 388 CB ALA A 40 1.704 15.345 -7.919 1.00 0.00 C ATOM 0 H ALA A 40 3.890 14.175 -7.724 1.00 0.00 H new ATOM 0 HA ALA A 40 2.838 16.647 -6.582 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.754 15.848 -7.740 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.160 15.742 -8.826 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.531 14.275 -8.038 1.00 0.00 H new ATOM 394 N ASP A 41 0.707 15.300 -5.323 1.00 0.00 N ATOM 395 CA ASP A 41 -0.028 14.810 -4.125 1.00 0.00 C ATOM 396 C ASP A 41 -0.932 13.638 -4.492 1.00 0.00 C ATOM 397 O ASP A 41 -2.133 13.695 -4.316 1.00 0.00 O ATOM 398 CB ASP A 41 -0.896 15.961 -3.593 1.00 0.00 C ATOM 399 CG ASP A 41 -1.229 15.704 -2.127 1.00 0.00 C ATOM 400 OD1 ASP A 41 -0.340 15.930 -1.319 1.00 0.00 O ATOM 401 OD2 ASP A 41 -2.354 15.296 -1.896 1.00 0.00 O ATOM 0 H ASP A 41 0.147 15.833 -5.988 1.00 0.00 H new ATOM 0 HA ASP A 41 0.687 14.477 -3.372 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.368 16.909 -3.697 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.812 16.041 -4.178 1.00 0.00 H new ATOM 406 N GLY A 42 -0.332 12.593 -4.996 1.00 0.00 N ATOM 407 CA GLY A 42 -1.137 11.395 -5.387 1.00 0.00 C ATOM 408 C GLY A 42 -0.262 10.372 -6.134 1.00 0.00 C ATOM 409 O GLY A 42 -0.577 9.980 -7.239 1.00 0.00 O ATOM 0 H GLY A 42 0.673 12.515 -5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.566 10.933 -4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.969 11.701 -6.021 1.00 0.00 H new ATOM 413 N THR A 43 0.814 9.957 -5.504 1.00 0.00 N ATOM 414 CA THR A 43 1.717 8.963 -6.160 1.00 0.00 C ATOM 415 C THR A 43 1.447 7.562 -5.624 1.00 0.00 C ATOM 416 O THR A 43 0.720 7.411 -4.675 1.00 0.00 O ATOM 417 CB THR A 43 3.160 9.344 -5.830 1.00 0.00 C ATOM 418 OG1 THR A 43 3.174 10.755 -5.784 1.00 0.00 O ATOM 419 CG2 THR A 43 4.093 8.987 -6.987 1.00 0.00 C ATOM 0 H THR A 43 1.101 10.261 -4.574 1.00 0.00 H new ATOM 0 HA THR A 43 1.543 8.968 -7.236 1.00 0.00 H new ATOM 0 HB THR A 43 3.475 8.841 -4.915 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.030 11.062 -5.420 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.115 9.267 -6.730 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.047 7.914 -7.174 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.784 9.525 -7.883 1.00 0.00 H new ATOM 427 N PHE A 44 2.037 6.541 -6.233 1.00 0.00 N ATOM 428 CA PHE A 44 1.770 5.169 -5.705 1.00 0.00 C ATOM 429 C PHE A 44 2.707 4.086 -6.252 1.00 0.00 C ATOM 430 O PHE A 44 2.918 3.968 -7.443 1.00 0.00 O ATOM 431 CB PHE A 44 0.322 4.795 -6.052 1.00 0.00 C ATOM 432 CG PHE A 44 0.177 4.531 -7.552 1.00 0.00 C ATOM 433 CD1 PHE A 44 -0.032 5.579 -8.429 1.00 0.00 C ATOM 434 CD2 PHE A 44 0.162 3.235 -8.041 1.00 0.00 C ATOM 435 CE1 PHE A 44 -0.260 5.333 -9.767 1.00 0.00 C ATOM 436 CE2 PHE A 44 -0.068 2.997 -9.376 1.00 0.00 C ATOM 437 CZ PHE A 44 -0.278 4.042 -10.237 1.00 0.00 C ATOM 0 H PHE A 44 2.663 6.602 -7.036 1.00 0.00 H new ATOM 0 HA PHE A 44 1.946 5.206 -4.630 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.026 3.909 -5.491 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.349 5.600 -5.753 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.017 6.596 -8.065 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.332 2.406 -7.370 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.425 6.156 -10.446 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.083 1.983 -9.747 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.458 3.851 -11.285 1.00 0.00 H new ATOM 447 N LEU A 45 3.249 3.309 -5.329 1.00 0.00 N ATOM 448 CA LEU A 45 4.174 2.209 -5.700 1.00 0.00 C ATOM 449 C LEU A 45 4.072 1.094 -4.636 1.00 0.00 C ATOM 450 O LEU A 45 3.124 1.073 -3.872 1.00 0.00 O ATOM 451 CB LEU A 45 5.630 2.735 -5.782 1.00 0.00 C ATOM 452 CG LEU A 45 5.827 3.945 -4.868 1.00 0.00 C ATOM 453 CD1 LEU A 45 5.500 3.569 -3.428 1.00 0.00 C ATOM 454 CD2 LEU A 45 7.292 4.364 -4.937 1.00 0.00 C ATOM 0 H LEU A 45 3.079 3.403 -4.328 1.00 0.00 H new ATOM 0 HA LEU A 45 3.898 1.813 -6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.323 1.943 -5.498 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.864 3.010 -6.811 1.00 0.00 H new ATOM 0 HG LEU A 45 5.172 4.755 -5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.643 4.437 -2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.464 3.237 -3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.159 2.764 -3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.454 5.227 -4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.922 3.539 -4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.548 4.626 -5.964 1.00 0.00 H new ATOM 466 N VAL A 46 5.041 0.194 -4.600 1.00 0.00 N ATOM 467 CA VAL A 46 4.986 -0.913 -3.580 1.00 0.00 C ATOM 468 C VAL A 46 6.063 -0.734 -2.506 1.00 0.00 C ATOM 469 O VAL A 46 6.961 0.062 -2.646 1.00 0.00 O ATOM 470 CB VAL A 46 5.182 -2.283 -4.334 1.00 0.00 C ATOM 471 CG1 VAL A 46 6.231 -3.176 -3.658 1.00 0.00 C ATOM 472 CG2 VAL A 46 3.857 -3.042 -4.320 1.00 0.00 C ATOM 0 H VAL A 46 5.851 0.179 -5.220 1.00 0.00 H new ATOM 0 HA VAL A 46 4.021 -0.893 -3.073 1.00 0.00 H new ATOM 0 HB VAL A 46 5.518 -2.054 -5.345 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.329 -4.108 -4.215 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.191 -2.660 -3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.919 -3.395 -2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.977 -3.993 -4.839 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.554 -3.226 -3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.093 -2.449 -4.822 1.00 0.00 H new ATOM 482 N ARG A 47 5.915 -1.471 -1.448 1.00 0.00 N ATOM 483 CA ARG A 47 6.878 -1.407 -0.334 1.00 0.00 C ATOM 484 C ARG A 47 7.057 -2.820 0.217 1.00 0.00 C ATOM 485 O ARG A 47 6.177 -3.354 0.858 1.00 0.00 O ATOM 486 CB ARG A 47 6.296 -0.488 0.757 1.00 0.00 C ATOM 487 CG ARG A 47 7.430 0.121 1.608 1.00 0.00 C ATOM 488 CD ARG A 47 8.046 -0.954 2.522 1.00 0.00 C ATOM 489 NE ARG A 47 8.213 -0.385 3.890 1.00 0.00 N ATOM 490 CZ ARG A 47 8.873 -1.061 4.790 1.00 0.00 C ATOM 491 NH1 ARG A 47 10.170 -0.935 4.849 1.00 0.00 N ATOM 492 NH2 ARG A 47 8.212 -1.841 5.604 1.00 0.00 N ATOM 0 H ARG A 47 5.148 -2.129 -1.310 1.00 0.00 H new ATOM 0 HA ARG A 47 7.840 -1.015 -0.664 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.710 0.308 0.297 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.618 -1.055 1.395 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.198 0.539 0.957 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.041 0.942 2.211 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.404 -1.834 2.555 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.009 -1.277 2.128 1.00 0.00 H new ATOM 0 HE ARG A 47 7.815 0.525 4.120 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.652 -0.316 4.198 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.702 -1.456 5.546 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.197 -1.914 5.529 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.711 -2.377 6.314 1.00 0.00 H new ATOM 506 N ASP A 48 8.186 -3.399 -0.067 1.00 0.00 N ATOM 507 CA ASP A 48 8.457 -4.782 0.420 1.00 0.00 C ATOM 508 C ASP A 48 7.917 -5.044 1.809 1.00 0.00 C ATOM 509 O ASP A 48 8.379 -4.476 2.779 1.00 0.00 O ATOM 510 CB ASP A 48 9.967 -4.998 0.452 1.00 0.00 C ATOM 511 CG ASP A 48 10.262 -6.383 1.032 1.00 0.00 C ATOM 512 OD1 ASP A 48 9.980 -7.337 0.326 1.00 0.00 O ATOM 513 OD2 ASP A 48 10.750 -6.408 2.150 1.00 0.00 O ATOM 0 H ASP A 48 8.935 -2.977 -0.615 1.00 0.00 H new ATOM 0 HA ASP A 48 7.954 -5.466 -0.263 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.380 -4.915 -0.553 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.444 -4.227 1.057 1.00 0.00 H new ATOM 518 N ALA A 49 6.939 -5.913 1.871 1.00 0.00 N ATOM 519 CA ALA A 49 6.330 -6.258 3.172 1.00 0.00 C ATOM 520 C ALA A 49 6.591 -7.724 3.467 1.00 0.00 C ATOM 521 O ALA A 49 6.310 -8.214 4.542 1.00 0.00 O ATOM 522 CB ALA A 49 4.824 -6.035 3.071 1.00 0.00 C ATOM 0 H ALA A 49 6.541 -6.396 1.066 1.00 0.00 H new ATOM 0 HA ALA A 49 6.754 -5.641 3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.355 -6.284 4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.626 -4.990 2.832 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.414 -6.671 2.287 1.00 0.00 H new ATOM 616 N ASP A 56 2.621 -10.896 -0.712 1.00 0.00 N ATOM 617 CA ASP A 56 2.023 -9.799 0.092 1.00 0.00 C ATOM 618 C ASP A 56 2.971 -8.651 0.370 1.00 0.00 C ATOM 619 O ASP A 56 3.884 -8.759 1.165 1.00 0.00 O ATOM 620 CB ASP A 56 1.563 -10.376 1.434 1.00 0.00 C ATOM 621 CG ASP A 56 1.614 -9.280 2.498 1.00 0.00 C ATOM 622 OD1 ASP A 56 0.624 -8.574 2.597 1.00 0.00 O ATOM 623 OD2 ASP A 56 2.641 -9.209 3.153 1.00 0.00 O ATOM 0 HA ASP A 56 1.199 -9.395 -0.495 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.549 -10.767 1.347 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.203 -11.210 1.723 1.00 0.00 H new ATOM 628 N TYR A 57 2.718 -7.571 -0.304 1.00 0.00 N ATOM 629 CA TYR A 57 3.552 -6.365 -0.136 1.00 0.00 C ATOM 630 C TYR A 57 2.756 -5.300 0.593 1.00 0.00 C ATOM 631 O TYR A 57 1.755 -5.594 1.217 1.00 0.00 O ATOM 632 CB TYR A 57 3.926 -5.836 -1.526 1.00 0.00 C ATOM 633 CG TYR A 57 4.880 -6.814 -2.166 1.00 0.00 C ATOM 634 CD1 TYR A 57 4.441 -8.055 -2.534 1.00 0.00 C ATOM 635 CD2 TYR A 57 6.205 -6.489 -2.344 1.00 0.00 C ATOM 636 CE1 TYR A 57 5.298 -8.961 -3.063 1.00 0.00 C ATOM 637 CE2 TYR A 57 7.076 -7.397 -2.881 1.00 0.00 C ATOM 638 CZ TYR A 57 6.635 -8.646 -3.250 1.00 0.00 C ATOM 639 OH TYR A 57 7.510 -9.559 -3.796 1.00 0.00 O ATOM 0 H TYR A 57 1.955 -7.475 -0.974 1.00 0.00 H new ATOM 0 HA TYR A 57 4.448 -6.609 0.435 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.033 -5.720 -2.140 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.388 -4.852 -1.446 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.401 -8.316 -2.402 1.00 0.00 H new ATOM 0 HD2 TYR A 57 6.560 -5.510 -2.058 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.936 -9.939 -3.342 1.00 0.00 H new ATOM 0 HE2 TYR A 57 8.114 -7.132 -3.016 1.00 0.00 H new ATOM 0 HH TYR A 57 8.404 -9.162 -3.852 1.00 0.00 H new ATOM 649 N THR A 58 3.218 -4.089 0.510 1.00 0.00 N ATOM 650 CA THR A 58 2.511 -2.984 1.185 1.00 0.00 C ATOM 651 C THR A 58 2.330 -1.821 0.224 1.00 0.00 C ATOM 652 O THR A 58 3.289 -1.207 -0.205 1.00 0.00 O ATOM 653 CB THR A 58 3.349 -2.542 2.383 1.00 0.00 C ATOM 654 OG1 THR A 58 2.831 -3.266 3.480 1.00 0.00 O ATOM 655 CG2 THR A 58 3.091 -1.064 2.745 1.00 0.00 C ATOM 0 H THR A 58 4.059 -3.820 0.000 1.00 0.00 H new ATOM 0 HA THR A 58 1.527 -3.315 1.516 1.00 0.00 H new ATOM 0 HB THR A 58 4.405 -2.694 2.162 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.328 -3.031 4.291 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.705 -0.787 3.602 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.347 -0.431 1.895 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.038 -0.929 2.994 1.00 0.00 H new ATOM 663 N LEU A 59 1.102 -1.555 -0.108 1.00 0.00 N ATOM 664 CA LEU A 59 0.814 -0.442 -1.041 1.00 0.00 C ATOM 665 C LEU A 59 0.987 0.907 -0.346 1.00 0.00 C ATOM 666 O LEU A 59 0.381 1.162 0.673 1.00 0.00 O ATOM 667 CB LEU A 59 -0.644 -0.602 -1.504 1.00 0.00 C ATOM 668 CG LEU A 59 -0.862 0.149 -2.814 1.00 0.00 C ATOM 669 CD1 LEU A 59 -0.677 -0.817 -3.986 1.00 0.00 C ATOM 670 CD2 LEU A 59 -2.292 0.691 -2.840 1.00 0.00 C ATOM 0 H LEU A 59 0.284 -2.063 0.229 1.00 0.00 H new ATOM 0 HA LEU A 59 1.503 -0.472 -1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.878 -1.658 -1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.321 -0.220 -0.740 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.147 0.968 -2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.832 -0.284 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.333 -1.227 -3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.400 -1.629 -3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.460 1.230 -3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.997 -0.138 -2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.440 1.367 -1.998 1.00 0.00 H new ATOM 682 N THR A 60 1.829 1.746 -0.915 1.00 0.00 N ATOM 683 CA THR A 60 2.066 3.091 -0.309 1.00 0.00 C ATOM 684 C THR A 60 1.873 4.179 -1.350 1.00 0.00 C ATOM 685 O THR A 60 2.242 4.010 -2.496 1.00 0.00 O ATOM 686 CB THR A 60 3.511 3.145 0.206 1.00 0.00 C ATOM 687 OG1 THR A 60 3.408 3.009 1.608 1.00 0.00 O ATOM 688 CG2 THR A 60 4.142 4.548 0.000 1.00 0.00 C ATOM 0 H THR A 60 2.356 1.554 -1.767 1.00 0.00 H new ATOM 0 HA THR A 60 1.359 3.251 0.505 1.00 0.00 H new ATOM 0 HB THR A 60 4.106 2.389 -0.307 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.760 3.659 1.953 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.165 4.546 0.377 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.147 4.792 -1.062 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.558 5.293 0.540 1.00 0.00 H new ATOM 696 N LEU A 61 1.287 5.282 -0.946 1.00 0.00 N ATOM 697 CA LEU A 61 1.076 6.378 -1.924 1.00 0.00 C ATOM 698 C LEU A 61 1.169 7.740 -1.290 1.00 0.00 C ATOM 699 O LEU A 61 0.905 7.912 -0.117 1.00 0.00 O ATOM 700 CB LEU A 61 -0.317 6.244 -2.571 1.00 0.00 C ATOM 701 CG LEU A 61 -1.306 5.573 -1.618 1.00 0.00 C ATOM 702 CD1 LEU A 61 -2.671 6.233 -1.792 1.00 0.00 C ATOM 703 CD2 LEU A 61 -1.431 4.085 -1.968 1.00 0.00 C ATOM 0 H LEU A 61 0.954 5.462 0.001 1.00 0.00 H new ATOM 0 HA LEU A 61 1.866 6.288 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.688 7.230 -2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.240 5.662 -3.489 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.956 5.678 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.390 5.766 -1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.594 7.295 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.006 6.110 -2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.137 3.609 -1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.789 3.981 -2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.456 3.606 -1.874 1.00 0.00 H new ATOM 715 N ARG A 62 1.547 8.695 -2.094 1.00 0.00 N ATOM 716 CA ARG A 62 1.670 10.064 -1.586 1.00 0.00 C ATOM 717 C ARG A 62 0.309 10.695 -1.547 1.00 0.00 C ATOM 718 O ARG A 62 -0.229 11.074 -2.572 1.00 0.00 O ATOM 719 CB ARG A 62 2.559 10.869 -2.541 1.00 0.00 C ATOM 720 CG ARG A 62 3.099 12.100 -1.815 1.00 0.00 C ATOM 721 CD ARG A 62 4.070 11.675 -0.703 1.00 0.00 C ATOM 722 NE ARG A 62 5.299 12.513 -0.786 1.00 0.00 N ATOM 723 CZ ARG A 62 5.238 13.776 -0.460 1.00 0.00 C ATOM 724 NH1 ARG A 62 4.804 14.635 -1.341 1.00 0.00 N ATOM 725 NH2 ARG A 62 5.613 14.137 0.737 1.00 0.00 N ATOM 0 H ARG A 62 1.774 8.573 -3.081 1.00 0.00 H new ATOM 0 HA ARG A 62 2.105 10.052 -0.587 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.384 10.251 -2.895 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.988 11.172 -3.419 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.608 12.754 -2.522 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.274 12.671 -1.389 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.599 11.793 0.273 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.325 10.621 -0.809 1.00 0.00 H new ATOM 0 HE ARG A 62 6.181 12.104 -1.095 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.519 14.316 -2.267 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.750 15.626 -1.104 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.947 13.437 1.400 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.572 15.119 1.010 1.00 0.00 H new ATOM 739 N LYS A 63 -0.221 10.790 -0.367 1.00 0.00 N ATOM 740 CA LYS A 63 -1.557 11.388 -0.194 1.00 0.00 C ATOM 741 C LYS A 63 -1.483 12.622 0.710 1.00 0.00 C ATOM 742 O LYS A 63 -1.251 12.518 1.898 1.00 0.00 O ATOM 743 CB LYS A 63 -2.430 10.295 0.441 1.00 0.00 C ATOM 744 CG LYS A 63 -3.749 10.857 0.976 1.00 0.00 C ATOM 745 CD LYS A 63 -3.755 10.701 2.497 1.00 0.00 C ATOM 746 CE LYS A 63 -4.998 11.392 3.067 1.00 0.00 C ATOM 747 NZ LYS A 63 -5.206 11.010 4.492 1.00 0.00 N ATOM 0 H LYS A 63 0.224 10.473 0.494 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.972 11.722 -1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.638 9.522 -0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.882 9.819 1.254 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.854 11.907 0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.594 10.327 0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.755 9.645 2.767 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.853 11.139 2.923 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.888 12.473 2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.874 11.117 2.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.053 11.489 4.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.333 9.980 4.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.377 11.294 5.052 1.00 0.00 H new ATOM 761 N GLY A 64 -1.676 13.771 0.115 1.00 0.00 N ATOM 762 CA GLY A 64 -1.625 15.035 0.915 1.00 0.00 C ATOM 763 C GLY A 64 -0.185 15.389 1.258 1.00 0.00 C ATOM 764 O GLY A 64 0.069 16.185 2.140 1.00 0.00 O ATOM 0 H GLY A 64 -1.865 13.890 -0.880 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.082 15.848 0.351 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.205 14.917 1.830 1.00 0.00 H new ATOM 768 N GLY A 65 0.728 14.795 0.552 1.00 0.00 N ATOM 769 CA GLY A 65 2.163 15.084 0.823 1.00 0.00 C ATOM 770 C GLY A 65 2.681 14.160 1.925 1.00 0.00 C ATOM 771 O GLY A 65 3.814 14.270 2.348 1.00 0.00 O ATOM 0 H GLY A 65 0.548 14.126 -0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.749 14.945 -0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.283 16.125 1.123 1.00 0.00 H new ATOM 775 N ASN A 66 1.823 13.269 2.368 1.00 0.00 N ATOM 776 CA ASN A 66 2.222 12.316 3.440 1.00 0.00 C ATOM 777 C ASN A 66 2.142 10.882 2.936 1.00 0.00 C ATOM 778 O ASN A 66 1.091 10.415 2.544 1.00 0.00 O ATOM 779 CB ASN A 66 1.249 12.478 4.617 1.00 0.00 C ATOM 780 CG ASN A 66 1.905 11.937 5.890 1.00 0.00 C ATOM 781 OD1 ASN A 66 2.219 10.672 5.953 1.00 0.00 O flip ATOM 782 ND2 ASN A 66 2.136 12.661 6.838 1.00 0.00 N flip ATOM 0 H ASN A 66 0.866 13.165 2.030 1.00 0.00 H new ATOM 0 HA ASN A 66 3.247 12.527 3.746 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.987 13.528 4.746 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.322 11.941 4.415 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.893 13.651 6.795 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.573 12.279 7.677 1.00 0.00 H new ATOM 789 N ASN A 67 3.254 10.208 2.958 1.00 0.00 N ATOM 790 CA ASN A 67 3.266 8.809 2.486 1.00 0.00 C ATOM 791 C ASN A 67 2.304 7.947 3.293 1.00 0.00 C ATOM 792 O ASN A 67 2.571 7.618 4.431 1.00 0.00 O ATOM 793 CB ASN A 67 4.689 8.257 2.674 1.00 0.00 C ATOM 794 CG ASN A 67 5.453 9.139 3.664 1.00 0.00 C ATOM 795 OD1 ASN A 67 6.042 10.219 3.228 1.00 0.00 O flip ATOM 796 ND2 ASN A 67 5.522 8.852 4.843 1.00 0.00 N flip ATOM 0 H ASN A 67 4.151 10.568 3.283 1.00 0.00 H new ATOM 0 HA ASN A 67 2.959 8.785 1.440 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.647 7.232 3.042 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.210 8.231 1.717 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.064 8.009 5.190 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.038 9.454 5.485 1.00 0.00 H new ATOM 803 N LYS A 68 1.197 7.587 2.693 1.00 0.00 N ATOM 804 CA LYS A 68 0.228 6.749 3.421 1.00 0.00 C ATOM 805 C LYS A 68 0.583 5.275 3.242 1.00 0.00 C ATOM 806 O LYS A 68 1.159 4.898 2.239 1.00 0.00 O ATOM 807 CB LYS A 68 -1.152 7.007 2.818 1.00 0.00 C ATOM 808 CG LYS A 68 -2.231 6.584 3.810 1.00 0.00 C ATOM 809 CD LYS A 68 -3.318 5.830 3.057 1.00 0.00 C ATOM 810 CE LYS A 68 -4.563 5.728 3.940 1.00 0.00 C ATOM 811 NZ LYS A 68 -4.210 5.973 5.366 1.00 0.00 N ATOM 0 H LYS A 68 0.934 7.840 1.740 1.00 0.00 H new ATOM 0 HA LYS A 68 0.242 6.990 4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.262 8.064 2.574 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.263 6.452 1.886 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.802 5.952 4.588 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.652 7.459 4.306 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.558 6.346 2.127 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.966 4.834 2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.308 6.453 3.614 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.012 4.740 3.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.997 5.672 5.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.357 5.431 5.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.029 6.987 5.510 1.00 0.00 H new ATOM 825 N LEU A 69 0.230 4.468 4.221 1.00 0.00 N ATOM 826 CA LEU A 69 0.545 3.010 4.128 1.00 0.00 C ATOM 827 C LEU A 69 -0.709 2.138 4.053 1.00 0.00 C ATOM 828 O LEU A 69 -1.654 2.326 4.793 1.00 0.00 O ATOM 829 CB LEU A 69 1.327 2.625 5.393 1.00 0.00 C ATOM 830 CG LEU A 69 1.650 1.132 5.351 1.00 0.00 C ATOM 831 CD1 LEU A 69 3.112 0.922 5.752 1.00 0.00 C ATOM 832 CD2 LEU A 69 0.746 0.390 6.341 1.00 0.00 C ATOM 0 H LEU A 69 -0.257 4.756 5.070 1.00 0.00 H new ATOM 0 HA LEU A 69 1.115 2.841 3.214 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.247 3.206 5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.741 2.857 6.282 1.00 0.00 H new ATOM 0 HG LEU A 69 1.484 0.749 4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.348 -0.142 5.724 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.760 1.456 5.057 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.271 1.302 6.761 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.974 -0.676 6.314 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.918 0.772 7.347 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.298 0.545 6.067 1.00 0.00 H new ATOM 844 N ILE A 70 -0.670 1.190 3.152 1.00 0.00 N ATOM 845 CA ILE A 70 -1.820 0.263 2.972 1.00 0.00 C ATOM 846 C ILE A 70 -1.275 -1.144 2.744 1.00 0.00 C ATOM 847 O ILE A 70 -0.190 -1.297 2.224 1.00 0.00 O ATOM 848 CB ILE A 70 -2.622 0.713 1.747 1.00 0.00 C ATOM 849 CG1 ILE A 70 -3.538 1.867 2.118 1.00 0.00 C ATOM 850 CG2 ILE A 70 -3.484 -0.467 1.237 1.00 0.00 C ATOM 851 CD1 ILE A 70 -3.420 2.933 1.037 1.00 0.00 C ATOM 0 H ILE A 70 0.119 1.020 2.529 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.464 0.269 3.851 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.930 1.036 0.970 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.569 1.523 2.202 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.259 2.277 3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.056 -0.150 0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.836 -1.299 0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.168 -0.784 2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.070 3.773 1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.388 3.278 0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.718 2.512 0.077 1.00 0.00 H new ATOM 863 N LYS A 71 -2.032 -2.143 3.113 1.00 0.00 N ATOM 864 CA LYS A 71 -1.538 -3.541 2.915 1.00 0.00 C ATOM 865 C LYS A 71 -2.139 -4.234 1.689 1.00 0.00 C ATOM 866 O LYS A 71 -3.173 -3.850 1.180 1.00 0.00 O ATOM 867 CB LYS A 71 -1.918 -4.355 4.163 1.00 0.00 C ATOM 868 CG LYS A 71 -1.389 -3.637 5.408 1.00 0.00 C ATOM 869 CD LYS A 71 -1.085 -4.670 6.495 1.00 0.00 C ATOM 870 CE LYS A 71 0.352 -5.166 6.327 1.00 0.00 C ATOM 871 NZ LYS A 71 0.631 -6.279 7.275 1.00 0.00 N ATOM 0 H LYS A 71 -2.956 -2.057 3.536 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.461 -3.488 2.756 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.001 -4.466 4.224 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.497 -5.359 4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.488 -3.074 5.162 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.125 -2.919 5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.217 -4.227 7.482 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.782 -5.505 6.425 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.509 -5.504 5.303 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.049 -4.347 6.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.610 -6.605 7.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.500 -5.945 8.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.023 -7.066 7.088 1.00 0.00 H new ATOM 885 N ILE A 72 -1.438 -5.248 1.247 1.00 0.00 N ATOM 886 CA ILE A 72 -1.878 -6.038 0.065 1.00 0.00 C ATOM 887 C ILE A 72 -2.368 -7.400 0.575 1.00 0.00 C ATOM 888 O ILE A 72 -1.665 -8.035 1.339 1.00 0.00 O ATOM 889 CB ILE A 72 -0.638 -6.276 -0.818 1.00 0.00 C ATOM 890 CG1 ILE A 72 -0.185 -4.968 -1.498 1.00 0.00 C ATOM 891 CG2 ILE A 72 -0.973 -7.348 -1.878 1.00 0.00 C ATOM 892 CD1 ILE A 72 -1.030 -4.666 -2.743 1.00 0.00 C ATOM 0 H ILE A 72 -0.564 -5.564 1.666 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.663 -5.525 -0.491 1.00 0.00 H new ATOM 0 HB ILE A 72 0.184 -6.624 -0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.265 -4.142 -0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.865 -5.046 -1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.100 -7.522 -2.507 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.253 -8.277 -1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.802 -7.003 -2.495 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.686 -3.738 -3.200 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.928 -5.482 -3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.077 -4.563 -2.456 1.00 0.00 H new ATOM 904 N PHE A 73 -3.544 -7.845 0.159 1.00 0.00 N ATOM 905 CA PHE A 73 -4.019 -9.170 0.663 1.00 0.00 C ATOM 906 C PHE A 73 -3.760 -10.285 -0.351 1.00 0.00 C ATOM 907 O PHE A 73 -4.381 -10.347 -1.390 1.00 0.00 O ATOM 908 CB PHE A 73 -5.529 -9.069 0.969 1.00 0.00 C ATOM 909 CG PHE A 73 -5.906 -7.592 1.231 1.00 0.00 C ATOM 910 CD1 PHE A 73 -5.060 -6.765 1.955 1.00 0.00 C ATOM 911 CD2 PHE A 73 -7.058 -7.052 0.685 1.00 0.00 C ATOM 912 CE1 PHE A 73 -5.354 -5.429 2.115 1.00 0.00 C ATOM 913 CE2 PHE A 73 -7.348 -5.710 0.853 1.00 0.00 C ATOM 914 CZ PHE A 73 -6.491 -4.901 1.561 1.00 0.00 C ATOM 0 H PHE A 73 -4.169 -7.361 -0.485 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.465 -9.421 1.568 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.107 -9.460 0.132 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.776 -9.678 1.839 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.163 -7.172 2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.734 -7.682 0.125 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.686 -4.795 2.679 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.250 -5.297 0.427 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.713 -3.851 1.680 1.00 0.00 H new ATOM 924 N HIS A 74 -2.817 -11.139 -0.013 1.00 0.00 N ATOM 925 CA HIS A 74 -2.455 -12.280 -0.905 1.00 0.00 C ATOM 926 C HIS A 74 -2.528 -13.596 -0.123 1.00 0.00 C ATOM 927 O HIS A 74 -2.597 -13.580 1.090 1.00 0.00 O ATOM 928 CB HIS A 74 -1.008 -12.065 -1.366 1.00 0.00 C ATOM 929 CG HIS A 74 -0.371 -13.413 -1.683 1.00 0.00 C ATOM 930 ND1 HIS A 74 0.210 -14.145 -0.854 1.00 0.00 N ATOM 931 CD2 HIS A 74 -0.309 -14.090 -2.877 1.00 0.00 C ATOM 932 CE1 HIS A 74 0.633 -15.212 -1.391 1.00 0.00 C ATOM 933 NE2 HIS A 74 0.347 -15.270 -2.692 1.00 0.00 N ATOM 0 H HIS A 74 -2.281 -11.089 0.853 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.140 -12.328 -1.751 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.987 -11.424 -2.248 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.439 -11.556 -0.588 1.00 0.00 H new ATOM 0 HD1 HIS A 74 0.329 -13.913 0.132 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.716 -13.742 -3.815 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.164 -15.986 -0.856 1.00 0.00 H new ATOM 941 N ARG A 75 -2.516 -14.719 -0.818 1.00 0.00 N ATOM 942 CA ARG A 75 -2.585 -16.016 -0.081 1.00 0.00 C ATOM 943 C ARG A 75 -1.779 -17.119 -0.771 1.00 0.00 C ATOM 944 O ARG A 75 -1.082 -17.869 -0.115 1.00 0.00 O ATOM 945 CB ARG A 75 -4.050 -16.455 0.008 1.00 0.00 C ATOM 946 CG ARG A 75 -4.275 -17.122 1.367 1.00 0.00 C ATOM 947 CD ARG A 75 -5.715 -17.618 1.459 1.00 0.00 C ATOM 948 NE ARG A 75 -6.160 -17.531 2.879 1.00 0.00 N ATOM 949 CZ ARG A 75 -6.742 -18.558 3.434 1.00 0.00 C ATOM 950 NH1 ARG A 75 -6.112 -19.701 3.472 1.00 0.00 N ATOM 951 NH2 ARG A 75 -7.935 -18.405 3.939 1.00 0.00 N ATOM 0 H ARG A 75 -2.463 -14.787 -1.834 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.157 -15.861 0.909 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.711 -15.596 -0.106 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.287 -17.149 -0.798 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.584 -17.955 1.494 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.071 -16.413 2.170 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.363 -17.016 0.822 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.784 -18.646 1.104 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.011 -16.675 3.413 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.178 -19.782 3.071 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.554 -20.513 3.903 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.395 -17.495 3.895 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.408 -19.195 4.378 1.00 0.00 H new ATOM 965 N ASP A 76 -1.888 -17.203 -2.075 1.00 0.00 N ATOM 966 CA ASP A 76 -1.127 -18.263 -2.807 1.00 0.00 C ATOM 967 C ASP A 76 -0.499 -17.711 -4.082 1.00 0.00 C ATOM 968 O ASP A 76 0.667 -17.927 -4.344 1.00 0.00 O ATOM 969 CB ASP A 76 -2.104 -19.388 -3.184 1.00 0.00 C ATOM 970 CG ASP A 76 -2.183 -19.509 -4.707 1.00 0.00 C ATOM 971 OD1 ASP A 76 -3.012 -18.808 -5.264 1.00 0.00 O ATOM 972 OD2 ASP A 76 -1.409 -20.295 -5.228 1.00 0.00 O ATOM 0 H ASP A 76 -2.462 -16.593 -2.657 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.329 -18.632 -2.162 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.773 -20.332 -2.751 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.092 -19.178 -2.774 1.00 0.00 H new ATOM 977 N GLY A 77 -1.279 -17.010 -4.849 1.00 0.00 N ATOM 978 CA GLY A 77 -0.738 -16.438 -6.110 1.00 0.00 C ATOM 979 C GLY A 77 -1.671 -15.356 -6.632 1.00 0.00 C ATOM 980 O GLY A 77 -1.417 -14.755 -7.657 1.00 0.00 O ATOM 0 H GLY A 77 -2.261 -16.808 -4.661 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.254 -16.021 -5.934 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.625 -17.224 -6.857 1.00 0.00 H new ATOM 984 N LYS A 78 -2.735 -15.130 -5.905 1.00 0.00 N ATOM 985 CA LYS A 78 -3.705 -14.106 -6.317 1.00 0.00 C ATOM 986 C LYS A 78 -3.597 -12.898 -5.407 1.00 0.00 C ATOM 987 O LYS A 78 -2.696 -12.814 -4.603 1.00 0.00 O ATOM 988 CB LYS A 78 -5.115 -14.712 -6.190 1.00 0.00 C ATOM 989 CG LYS A 78 -5.060 -15.939 -5.263 1.00 0.00 C ATOM 990 CD LYS A 78 -6.485 -16.438 -4.976 1.00 0.00 C ATOM 991 CE LYS A 78 -6.697 -17.773 -5.691 1.00 0.00 C ATOM 992 NZ LYS A 78 -5.755 -18.801 -5.172 1.00 0.00 N ATOM 0 H LYS A 78 -2.963 -15.621 -5.040 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.509 -13.793 -7.343 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.807 -13.971 -5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.489 -15.001 -7.172 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.474 -16.732 -5.728 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.561 -15.679 -4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.633 -16.558 -3.903 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.217 -15.706 -5.319 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.724 -18.109 -5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.549 -17.645 -6.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.043 -19.740 -5.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.793 -18.590 -5.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.770 -18.792 -4.132 1.00 0.00 H new ATOM 1006 N TYR A 79 -4.508 -11.982 -5.549 1.00 0.00 N ATOM 1007 CA TYR A 79 -4.467 -10.773 -4.694 1.00 0.00 C ATOM 1008 C TYR A 79 -5.835 -10.428 -4.185 1.00 0.00 C ATOM 1009 O TYR A 79 -6.825 -10.954 -4.645 1.00 0.00 O ATOM 1010 CB TYR A 79 -3.969 -9.604 -5.534 1.00 0.00 C ATOM 1011 CG TYR A 79 -2.481 -9.737 -5.751 1.00 0.00 C ATOM 1012 CD1 TYR A 79 -2.002 -10.580 -6.721 1.00 0.00 C ATOM 1013 CD2 TYR A 79 -1.597 -8.995 -5.006 1.00 0.00 C ATOM 1014 CE1 TYR A 79 -0.655 -10.687 -6.951 1.00 0.00 C ATOM 1015 CE2 TYR A 79 -0.246 -9.094 -5.230 1.00 0.00 C ATOM 1016 CZ TYR A 79 0.241 -9.942 -6.207 1.00 0.00 C ATOM 1017 OH TYR A 79 1.599 -10.046 -6.435 1.00 0.00 O ATOM 0 H TYR A 79 -5.277 -12.019 -6.219 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.809 -10.968 -3.847 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.487 -9.585 -6.493 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.191 -8.662 -5.033 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.693 -11.165 -7.309 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.967 -8.330 -4.240 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.292 -11.356 -7.717 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.440 -8.506 -4.639 1.00 0.00 H new ATOM 0 HH TYR A 79 2.080 -9.451 -5.823 1.00 0.00 H new ATOM 1027 N GLY A 80 -5.867 -9.543 -3.245 1.00 0.00 N ATOM 1028 CA GLY A 80 -7.161 -9.131 -2.672 1.00 0.00 C ATOM 1029 C GLY A 80 -7.146 -7.645 -2.397 1.00 0.00 C ATOM 1030 O GLY A 80 -6.224 -7.132 -1.768 1.00 0.00 O ATOM 0 H GLY A 80 -5.048 -9.084 -2.846 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.969 -9.375 -3.362 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.352 -9.679 -1.750 1.00 0.00 H new ATOM 1034 N PHE A 81 -8.145 -6.973 -2.888 1.00 0.00 N ATOM 1035 CA PHE A 81 -8.217 -5.534 -2.672 1.00 0.00 C ATOM 1036 C PHE A 81 -9.667 -5.101 -2.565 1.00 0.00 C ATOM 1037 O PHE A 81 -9.982 -4.077 -1.988 1.00 0.00 O ATOM 1038 CB PHE A 81 -7.576 -4.823 -3.868 1.00 0.00 C ATOM 1039 CG PHE A 81 -6.359 -4.037 -3.390 1.00 0.00 C ATOM 1040 CD1 PHE A 81 -6.451 -3.189 -2.294 1.00 0.00 C ATOM 1041 CD2 PHE A 81 -5.135 -4.206 -4.003 1.00 0.00 C ATOM 1042 CE1 PHE A 81 -5.349 -2.542 -1.823 1.00 0.00 C ATOM 1043 CE2 PHE A 81 -4.034 -3.549 -3.529 1.00 0.00 C ATOM 1044 CZ PHE A 81 -4.139 -2.720 -2.432 1.00 0.00 C ATOM 0 H PHE A 81 -8.911 -7.374 -3.430 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.693 -5.278 -1.751 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -7.280 -5.551 -4.623 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -8.296 -4.152 -4.337 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -7.405 -3.041 -1.811 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.046 -4.859 -4.859 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.432 -1.888 -0.968 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.079 -3.680 -4.015 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.264 -2.211 -2.054 1.00 0.00 H new ATOM 1054 N SER A 82 -10.514 -5.899 -3.128 1.00 0.00 N ATOM 1055 CA SER A 82 -11.962 -5.593 -3.095 1.00 0.00 C ATOM 1056 C SER A 82 -12.753 -6.854 -3.344 1.00 0.00 C ATOM 1057 O SER A 82 -13.795 -7.069 -2.759 1.00 0.00 O ATOM 1058 CB SER A 82 -12.280 -4.580 -4.199 1.00 0.00 C ATOM 1059 OG SER A 82 -13.203 -3.687 -3.591 1.00 0.00 O ATOM 0 H SER A 82 -10.265 -6.760 -3.615 1.00 0.00 H new ATOM 0 HA SER A 82 -12.227 -5.184 -2.120 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.383 -4.060 -4.534 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.712 -5.066 -5.074 1.00 0.00 H new ATOM 0 HG SER A 82 -13.462 -2.996 -4.235 1.00 0.00 H new ATOM 1065 N ASP A 83 -12.237 -7.665 -4.213 1.00 0.00 N ATOM 1066 CA ASP A 83 -12.922 -8.924 -4.529 1.00 0.00 C ATOM 1067 C ASP A 83 -12.321 -10.050 -3.659 1.00 0.00 C ATOM 1068 O ASP A 83 -11.126 -10.077 -3.475 1.00 0.00 O ATOM 1069 CB ASP A 83 -12.650 -9.248 -6.012 1.00 0.00 C ATOM 1070 CG ASP A 83 -13.824 -8.756 -6.861 1.00 0.00 C ATOM 1071 OD1 ASP A 83 -14.778 -9.510 -6.953 1.00 0.00 O ATOM 1072 OD2 ASP A 83 -13.700 -7.654 -7.367 1.00 0.00 O ATOM 0 H ASP A 83 -11.365 -7.504 -4.717 1.00 0.00 H new ATOM 0 HA ASP A 83 -13.992 -8.840 -4.339 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.726 -8.770 -6.337 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.517 -10.322 -6.143 1.00 0.00 H new ATOM 1077 N PRO A 84 -13.150 -10.961 -3.122 1.00 0.00 N ATOM 1078 CA PRO A 84 -12.626 -12.049 -2.291 1.00 0.00 C ATOM 1079 C PRO A 84 -11.600 -12.888 -3.073 1.00 0.00 C ATOM 1080 O PRO A 84 -11.888 -13.986 -3.504 1.00 0.00 O ATOM 1081 CB PRO A 84 -13.876 -12.900 -1.917 1.00 0.00 C ATOM 1082 CG PRO A 84 -15.104 -12.257 -2.630 1.00 0.00 C ATOM 1083 CD PRO A 84 -14.616 -10.963 -3.301 1.00 0.00 C ATOM 0 HA PRO A 84 -12.104 -11.680 -1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.746 -13.935 -2.234 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.022 -12.914 -0.837 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.520 -12.940 -3.370 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.896 -12.043 -1.913 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.883 -10.943 -4.357 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.070 -10.086 -2.840 1.00 0.00 H new ATOM 1091 N LEU A 85 -10.405 -12.331 -3.220 1.00 0.00 N ATOM 1092 CA LEU A 85 -9.312 -13.033 -3.961 1.00 0.00 C ATOM 1093 C LEU A 85 -9.867 -14.006 -4.981 1.00 0.00 C ATOM 1094 O LEU A 85 -9.490 -15.160 -5.022 1.00 0.00 O ATOM 1095 CB LEU A 85 -8.435 -13.781 -2.935 1.00 0.00 C ATOM 1096 CG LEU A 85 -7.522 -12.763 -2.221 1.00 0.00 C ATOM 1097 CD1 LEU A 85 -7.664 -12.908 -0.711 1.00 0.00 C ATOM 1098 CD2 LEU A 85 -6.069 -13.022 -2.610 1.00 0.00 C ATOM 0 H LEU A 85 -10.150 -11.415 -2.852 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.720 -12.297 -4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.062 -14.298 -2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.834 -14.540 -3.435 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.813 -11.756 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.016 -12.186 -0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.699 -12.725 -0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.378 -13.917 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.424 -12.303 -2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.788 -14.032 -2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.957 -12.916 -3.689 1.00 0.00 H new ATOM 1110 N THR A 86 -10.767 -13.504 -5.791 1.00 0.00 N ATOM 1111 CA THR A 86 -11.383 -14.351 -6.830 1.00 0.00 C ATOM 1112 C THR A 86 -10.806 -14.033 -8.201 1.00 0.00 C ATOM 1113 O THR A 86 -10.944 -14.810 -9.125 1.00 0.00 O ATOM 1114 CB THR A 86 -12.886 -14.069 -6.847 1.00 0.00 C ATOM 1115 OG1 THR A 86 -13.243 -13.877 -5.492 1.00 0.00 O ATOM 1116 CG2 THR A 86 -13.671 -15.316 -7.280 1.00 0.00 C ATOM 0 H THR A 86 -11.095 -12.539 -5.768 1.00 0.00 H new ATOM 0 HA THR A 86 -11.182 -15.398 -6.605 1.00 0.00 H new ATOM 0 HB THR A 86 -13.099 -13.234 -7.514 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.653 -14.410 -4.919 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.738 -15.091 -7.285 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.359 -15.613 -8.281 1.00 0.00 H new ATOM 0 HG23 THR A 86 -13.475 -16.130 -6.582 1.00 0.00 H new ATOM 1124 N PHE A 87 -10.166 -12.892 -8.320 1.00 0.00 N ATOM 1125 CA PHE A 87 -9.588 -12.544 -9.637 1.00 0.00 C ATOM 1126 C PHE A 87 -8.230 -13.191 -9.777 1.00 0.00 C ATOM 1127 O PHE A 87 -8.138 -14.396 -9.872 1.00 0.00 O ATOM 1128 CB PHE A 87 -9.471 -10.995 -9.802 1.00 0.00 C ATOM 1129 CG PHE A 87 -8.886 -10.326 -8.549 1.00 0.00 C ATOM 1130 CD1 PHE A 87 -9.605 -10.281 -7.365 1.00 0.00 C ATOM 1131 CD2 PHE A 87 -7.645 -9.706 -8.600 1.00 0.00 C ATOM 1132 CE1 PHE A 87 -9.091 -9.630 -6.262 1.00 0.00 C ATOM 1133 CE2 PHE A 87 -7.143 -9.057 -7.499 1.00 0.00 C ATOM 1134 CZ PHE A 87 -7.861 -9.019 -6.331 1.00 0.00 C ATOM 0 H PHE A 87 -10.026 -12.208 -7.576 1.00 0.00 H new ATOM 0 HA PHE A 87 -10.248 -12.916 -10.420 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.841 -10.768 -10.662 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.456 -10.577 -10.010 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.572 -10.758 -7.305 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.069 -9.734 -9.513 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.656 -9.600 -5.342 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.178 -8.574 -7.553 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.461 -8.510 -5.467 1.00 0.00 H new ATOM 1144 N ASN A 88 -7.195 -12.408 -9.781 1.00 0.00 N ATOM 1145 CA ASN A 88 -5.840 -13.029 -9.918 1.00 0.00 C ATOM 1146 C ASN A 88 -4.723 -12.010 -10.057 1.00 0.00 C ATOM 1147 O ASN A 88 -3.750 -12.058 -9.329 1.00 0.00 O ATOM 1148 CB ASN A 88 -5.829 -13.910 -11.184 1.00 0.00 C ATOM 1149 CG ASN A 88 -6.777 -13.319 -12.231 1.00 0.00 C ATOM 1150 OD1 ASN A 88 -6.607 -12.201 -12.677 1.00 0.00 O ATOM 1151 ND2 ASN A 88 -7.787 -14.034 -12.646 1.00 0.00 N ATOM 0 H ASN A 88 -7.216 -11.392 -9.698 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.660 -13.600 -9.007 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.818 -13.971 -11.588 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.135 -14.926 -10.935 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.429 -13.654 -13.341 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.934 -14.973 -12.275 1.00 0.00 H new ATOM 1158 N SER A 89 -4.877 -11.110 -10.984 1.00 0.00 N ATOM 1159 CA SER A 89 -3.816 -10.074 -11.189 1.00 0.00 C ATOM 1160 C SER A 89 -4.202 -8.697 -10.672 1.00 0.00 C ATOM 1161 O SER A 89 -5.332 -8.236 -10.824 1.00 0.00 O ATOM 1162 CB SER A 89 -3.549 -9.958 -12.688 1.00 0.00 C ATOM 1163 OG SER A 89 -4.425 -10.910 -13.275 1.00 0.00 O ATOM 0 H SER A 89 -5.682 -11.042 -11.607 1.00 0.00 H new ATOM 0 HA SER A 89 -2.939 -10.396 -10.627 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.754 -8.951 -13.052 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.508 -10.177 -12.925 1.00 0.00 H new ATOM 0 HG SER A 89 -4.316 -10.898 -14.249 1.00 0.00 H new ATOM 1169 N VAL A 90 -3.231 -8.050 -10.099 1.00 0.00 N ATOM 1170 CA VAL A 90 -3.470 -6.707 -9.557 1.00 0.00 C ATOM 1171 C VAL A 90 -3.617 -5.753 -10.699 1.00 0.00 C ATOM 1172 O VAL A 90 -4.348 -4.789 -10.626 1.00 0.00 O ATOM 1173 CB VAL A 90 -2.254 -6.291 -8.714 1.00 0.00 C ATOM 1174 CG1 VAL A 90 -2.657 -5.161 -7.764 1.00 0.00 C ATOM 1175 CG2 VAL A 90 -1.774 -7.489 -7.895 1.00 0.00 C ATOM 0 H VAL A 90 -2.281 -8.403 -9.987 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.370 -6.700 -8.942 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.454 -5.950 -9.371 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.796 -4.865 -7.165 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.008 -4.307 -8.343 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.455 -5.506 -7.106 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.911 -7.198 -7.296 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.576 -7.825 -7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.492 -8.300 -8.567 1.00 0.00 H new ATOM 1185 N VAL A 91 -2.917 -6.045 -11.751 1.00 0.00 N ATOM 1186 CA VAL A 91 -2.994 -5.180 -12.919 1.00 0.00 C ATOM 1187 C VAL A 91 -4.412 -5.115 -13.367 1.00 0.00 C ATOM 1188 O VAL A 91 -4.939 -4.065 -13.607 1.00 0.00 O ATOM 1189 CB VAL A 91 -2.132 -5.787 -14.034 1.00 0.00 C ATOM 1190 CG1 VAL A 91 -1.549 -4.671 -14.912 1.00 0.00 C ATOM 1191 CG2 VAL A 91 -0.991 -6.579 -13.409 1.00 0.00 C ATOM 0 H VAL A 91 -2.297 -6.850 -11.840 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.636 -4.178 -12.681 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.749 -6.443 -14.649 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.938 -5.110 -15.701 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.361 -4.098 -15.359 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.933 -4.012 -14.301 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.375 -7.013 -14.197 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.381 -5.916 -12.795 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.399 -7.376 -12.787 1.00 0.00 H new ATOM 1201 N GLU A 92 -5.016 -6.244 -13.458 1.00 0.00 N ATOM 1202 CA GLU A 92 -6.413 -6.258 -13.888 1.00 0.00 C ATOM 1203 C GLU A 92 -7.190 -5.280 -13.031 1.00 0.00 C ATOM 1204 O GLU A 92 -7.994 -4.507 -13.519 1.00 0.00 O ATOM 1205 CB GLU A 92 -6.971 -7.669 -13.675 1.00 0.00 C ATOM 1206 CG GLU A 92 -8.084 -7.919 -14.681 1.00 0.00 C ATOM 1207 CD GLU A 92 -7.490 -8.526 -15.954 1.00 0.00 C ATOM 1208 OE1 GLU A 92 -6.777 -9.505 -15.806 1.00 0.00 O ATOM 1209 OE2 GLU A 92 -7.781 -7.975 -17.002 1.00 0.00 O ATOM 0 H GLU A 92 -4.604 -7.155 -13.254 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.496 -5.979 -14.938 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.180 -8.409 -13.797 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -7.351 -7.774 -12.659 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.829 -8.593 -14.257 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.595 -6.985 -14.914 1.00 0.00 H new ATOM 1216 N LEU A 93 -6.922 -5.332 -11.753 1.00 0.00 N ATOM 1217 CA LEU A 93 -7.624 -4.415 -10.813 1.00 0.00 C ATOM 1218 C LEU A 93 -7.078 -2.997 -10.919 1.00 0.00 C ATOM 1219 O LEU A 93 -7.716 -2.118 -11.471 1.00 0.00 O ATOM 1220 CB LEU A 93 -7.380 -4.934 -9.369 1.00 0.00 C ATOM 1221 CG LEU A 93 -7.974 -3.937 -8.323 1.00 0.00 C ATOM 1222 CD1 LEU A 93 -8.844 -4.708 -7.334 1.00 0.00 C ATOM 1223 CD2 LEU A 93 -6.850 -3.243 -7.522 1.00 0.00 C ATOM 0 H LEU A 93 -6.250 -5.967 -11.322 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.686 -4.395 -11.059 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.838 -5.915 -9.246 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.311 -5.058 -9.196 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.555 -3.187 -8.860 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.261 -4.017 -6.601 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.654 -5.202 -7.870 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.238 -5.456 -6.823 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.289 -2.554 -6.801 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.262 -3.994 -6.995 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.205 -2.690 -8.205 1.00 0.00 H new ATOM 1235 N ILE A 94 -5.908 -2.801 -10.390 1.00 0.00 N ATOM 1236 CA ILE A 94 -5.299 -1.463 -10.439 1.00 0.00 C ATOM 1237 C ILE A 94 -5.482 -0.811 -11.807 1.00 0.00 C ATOM 1238 O ILE A 94 -5.691 0.381 -11.893 1.00 0.00 O ATOM 1239 CB ILE A 94 -3.801 -1.615 -10.080 1.00 0.00 C ATOM 1240 CG1 ILE A 94 -3.494 -0.870 -8.773 1.00 0.00 C ATOM 1241 CG2 ILE A 94 -2.892 -1.055 -11.209 1.00 0.00 C ATOM 1242 CD1 ILE A 94 -3.687 0.651 -8.941 1.00 0.00 C ATOM 0 H ILE A 94 -5.350 -3.517 -9.925 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.791 -0.804 -9.723 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.595 -2.679 -9.959 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.146 -1.237 -7.980 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.469 -1.078 -8.465 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.846 -1.176 -10.928 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.084 -1.599 -12.134 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.107 0.003 -11.358 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.463 1.152 -8.000 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.016 1.019 -9.717 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.719 0.858 -9.225 1.00 0.00 H new ATOM 1254 N ASN A 95 -5.401 -1.587 -12.853 1.00 0.00 N ATOM 1255 CA ASN A 95 -5.577 -0.982 -14.197 1.00 0.00 C ATOM 1256 C ASN A 95 -6.986 -0.446 -14.333 1.00 0.00 C ATOM 1257 O ASN A 95 -7.191 0.688 -14.747 1.00 0.00 O ATOM 1258 CB ASN A 95 -5.353 -2.048 -15.280 1.00 0.00 C ATOM 1259 CG ASN A 95 -5.484 -1.396 -16.657 1.00 0.00 C ATOM 1260 OD1 ASN A 95 -4.587 -0.722 -17.125 1.00 0.00 O ATOM 1261 ND2 ASN A 95 -6.585 -1.568 -17.338 1.00 0.00 N ATOM 0 H ASN A 95 -5.224 -2.591 -12.835 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.856 -0.173 -14.317 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.366 -2.496 -15.168 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.082 -2.852 -15.173 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -6.689 -1.138 -18.257 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.341 -2.132 -16.951 1.00 0.00 H new ATOM 1268 N HIS A 96 -7.949 -1.263 -13.971 1.00 0.00 N ATOM 1269 CA HIS A 96 -9.343 -0.806 -14.077 1.00 0.00 C ATOM 1270 C HIS A 96 -9.556 0.392 -13.173 1.00 0.00 C ATOM 1271 O HIS A 96 -10.571 1.055 -13.242 1.00 0.00 O ATOM 1272 CB HIS A 96 -10.271 -1.947 -13.628 1.00 0.00 C ATOM 1273 CG HIS A 96 -11.723 -1.555 -13.905 1.00 0.00 C ATOM 1274 ND1 HIS A 96 -12.354 -0.672 -13.288 1.00 0.00 N ATOM 1275 CD2 HIS A 96 -12.608 -2.051 -14.845 1.00 0.00 C ATOM 1276 CE1 HIS A 96 -13.537 -0.550 -13.728 1.00 0.00 C ATOM 1277 NE2 HIS A 96 -13.795 -1.395 -14.729 1.00 0.00 N ATOM 0 H HIS A 96 -7.818 -2.209 -13.614 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.562 -0.525 -15.107 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -10.022 -2.865 -14.161 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.133 -2.147 -12.566 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -11.966 -0.118 -12.525 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -12.392 -2.834 -15.557 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -14.254 0.157 -13.338 1.00 0.00 H new ATOM 1285 N TYR A 97 -8.576 0.648 -12.332 1.00 0.00 N ATOM 1286 CA TYR A 97 -8.686 1.800 -11.403 1.00 0.00 C ATOM 1287 C TYR A 97 -7.818 2.969 -11.866 1.00 0.00 C ATOM 1288 O TYR A 97 -8.125 4.114 -11.597 1.00 0.00 O ATOM 1289 CB TYR A 97 -8.201 1.345 -10.020 1.00 0.00 C ATOM 1290 CG TYR A 97 -9.402 1.190 -9.085 1.00 0.00 C ATOM 1291 CD1 TYR A 97 -10.239 2.256 -8.842 1.00 0.00 C ATOM 1292 CD2 TYR A 97 -9.668 -0.020 -8.477 1.00 0.00 C ATOM 1293 CE1 TYR A 97 -11.326 2.120 -8.007 1.00 0.00 C ATOM 1294 CE2 TYR A 97 -10.754 -0.158 -7.642 1.00 0.00 C ATOM 1295 CZ TYR A 97 -11.593 0.911 -7.399 1.00 0.00 C ATOM 1296 OH TYR A 97 -12.682 0.772 -6.563 1.00 0.00 O ATOM 0 H TYR A 97 -7.715 0.107 -12.257 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.723 2.133 -11.373 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.667 0.399 -10.103 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.500 2.072 -9.611 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.041 3.209 -9.311 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.020 -0.865 -8.657 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -11.973 2.965 -7.827 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.951 -1.111 -7.173 1.00 0.00 H new ATOM 0 HH TYR A 97 -12.718 -0.146 -6.223 1.00 0.00 H new ATOM 1306 N ARG A 98 -6.748 2.664 -12.552 1.00 0.00 N ATOM 1307 CA ARG A 98 -5.868 3.746 -13.030 1.00 0.00 C ATOM 1308 C ARG A 98 -6.620 4.650 -13.980 1.00 0.00 C ATOM 1309 O ARG A 98 -6.533 5.860 -13.899 1.00 0.00 O ATOM 1310 CB ARG A 98 -4.694 3.114 -13.776 1.00 0.00 C ATOM 1311 CG ARG A 98 -3.519 2.956 -12.814 1.00 0.00 C ATOM 1312 CD ARG A 98 -2.452 2.079 -13.460 1.00 0.00 C ATOM 1313 NE ARG A 98 -2.037 2.690 -14.752 1.00 0.00 N ATOM 1314 CZ ARG A 98 -1.867 1.928 -15.795 1.00 0.00 C ATOM 1315 NH1 ARG A 98 -2.789 1.051 -16.093 1.00 0.00 N ATOM 1316 NH2 ARG A 98 -0.779 2.067 -16.506 1.00 0.00 N ATOM 0 H ARG A 98 -6.455 1.718 -12.796 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.519 4.334 -12.181 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.983 2.144 -14.179 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.406 3.738 -14.622 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -3.103 3.933 -12.567 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.857 2.508 -11.880 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.593 1.982 -12.797 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.841 1.075 -13.627 1.00 0.00 H new ATOM 0 HE ARG A 98 -1.887 3.697 -14.820 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -3.624 0.972 -15.513 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.673 0.446 -16.906 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.082 2.762 -16.241 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -0.627 1.480 -17.326 1.00 0.00 H new ATOM 1330 N ASN A 99 -7.350 4.046 -14.869 1.00 0.00 N ATOM 1331 CA ASN A 99 -8.123 4.849 -15.838 1.00 0.00 C ATOM 1332 C ASN A 99 -9.209 5.642 -15.124 1.00 0.00 C ATOM 1333 O ASN A 99 -9.643 6.674 -15.596 1.00 0.00 O ATOM 1334 CB ASN A 99 -8.790 3.890 -16.823 1.00 0.00 C ATOM 1335 CG ASN A 99 -8.034 3.904 -18.154 1.00 0.00 C ATOM 1336 OD1 ASN A 99 -6.868 4.243 -18.219 1.00 0.00 O ATOM 1337 ND2 ASN A 99 -8.659 3.537 -19.240 1.00 0.00 N ATOM 0 H ASN A 99 -7.443 3.035 -14.964 1.00 0.00 H new ATOM 0 HA ASN A 99 -7.455 5.542 -16.350 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.801 2.881 -16.411 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -9.828 4.181 -16.981 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.169 3.536 -20.135 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -9.637 3.251 -19.194 1.00 0.00 H new ATOM 1344 N GLU A 100 -9.622 5.136 -13.992 1.00 0.00 N ATOM 1345 CA GLU A 100 -10.679 5.824 -13.212 1.00 0.00 C ATOM 1346 C GLU A 100 -10.103 6.617 -12.038 1.00 0.00 C ATOM 1347 O GLU A 100 -9.651 7.729 -12.202 1.00 0.00 O ATOM 1348 CB GLU A 100 -11.632 4.750 -12.667 1.00 0.00 C ATOM 1349 CG GLU A 100 -12.301 4.029 -13.842 1.00 0.00 C ATOM 1350 CD GLU A 100 -13.664 3.495 -13.398 1.00 0.00 C ATOM 1351 OE1 GLU A 100 -13.797 3.274 -12.205 1.00 0.00 O ATOM 1352 OE2 GLU A 100 -14.496 3.336 -14.277 1.00 0.00 O ATOM 0 H GLU A 100 -9.269 4.274 -13.577 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.192 6.530 -13.865 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.083 4.037 -12.052 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.387 5.207 -12.027 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.422 4.713 -14.682 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.671 3.209 -14.187 1.00 0.00 H new ATOM 1359 N SER A 101 -10.128 6.016 -10.876 1.00 0.00 N ATOM 1360 CA SER A 101 -9.595 6.700 -9.664 1.00 0.00 C ATOM 1361 C SER A 101 -9.944 5.904 -8.438 1.00 0.00 C ATOM 1362 O SER A 101 -10.914 5.172 -8.437 1.00 0.00 O ATOM 1363 CB SER A 101 -10.273 8.067 -9.510 1.00 0.00 C ATOM 1364 OG SER A 101 -9.438 8.964 -10.229 1.00 0.00 O ATOM 0 H SER A 101 -10.496 5.078 -10.716 1.00 0.00 H new ATOM 0 HA SER A 101 -8.515 6.802 -9.772 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.285 8.056 -9.916 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.353 8.354 -8.462 1.00 0.00 H new ATOM 0 HG SER A 101 -9.233 8.586 -11.110 1.00 0.00 H new ATOM 1370 N LEU A 102 -9.175 6.076 -7.403 1.00 0.00 N ATOM 1371 CA LEU A 102 -9.455 5.331 -6.163 1.00 0.00 C ATOM 1372 C LEU A 102 -9.929 6.271 -5.094 1.00 0.00 C ATOM 1373 O LEU A 102 -9.154 7.012 -4.517 1.00 0.00 O ATOM 1374 CB LEU A 102 -8.176 4.646 -5.691 1.00 0.00 C ATOM 1375 CG LEU A 102 -7.959 3.384 -6.529 1.00 0.00 C ATOM 1376 CD1 LEU A 102 -6.486 3.147 -6.682 1.00 0.00 C ATOM 1377 CD2 LEU A 102 -8.570 2.175 -5.827 1.00 0.00 C ATOM 0 H LEU A 102 -8.369 6.700 -7.368 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.229 4.589 -6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.326 5.320 -5.795 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.252 4.390 -4.634 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.432 3.519 -7.502 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.322 2.249 -7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.030 4.002 -7.181 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.034 3.017 -5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.409 1.283 -6.433 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.098 2.043 -4.854 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.640 2.335 -5.693 1.00 0.00 H new ATOM 1534 N LYS A 112 -7.273 10.604 -6.951 1.00 0.00 N ATOM 1535 CA LYS A 112 -7.093 10.030 -8.303 1.00 0.00 C ATOM 1536 C LYS A 112 -5.715 9.381 -8.432 1.00 0.00 C ATOM 1537 O LYS A 112 -4.700 10.025 -8.268 1.00 0.00 O ATOM 1538 CB LYS A 112 -7.215 11.176 -9.319 1.00 0.00 C ATOM 1539 CG LYS A 112 -6.017 12.113 -9.167 1.00 0.00 C ATOM 1540 CD LYS A 112 -6.418 13.523 -9.599 1.00 0.00 C ATOM 1541 CE LYS A 112 -6.962 13.477 -11.027 1.00 0.00 C ATOM 1542 NZ LYS A 112 -6.657 14.748 -11.740 1.00 0.00 N ATOM 0 HA LYS A 112 -7.848 9.265 -8.484 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.253 10.777 -10.333 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -8.143 11.724 -9.157 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.676 12.121 -8.132 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -5.184 11.758 -9.774 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -7.173 13.922 -8.922 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -5.558 14.191 -9.546 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.522 12.637 -11.564 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.039 13.313 -11.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.033 14.701 -12.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.098 15.543 -11.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -5.627 14.888 -11.775 1.00 0.00 H new ATOM 1556 N LEU A 113 -5.709 8.110 -8.720 1.00 0.00 N ATOM 1557 CA LEU A 113 -4.440 7.399 -8.864 1.00 0.00 C ATOM 1558 C LEU A 113 -3.919 7.458 -10.308 1.00 0.00 C ATOM 1559 O LEU A 113 -4.144 6.554 -11.085 1.00 0.00 O ATOM 1560 CB LEU A 113 -4.735 5.949 -8.487 1.00 0.00 C ATOM 1561 CG LEU A 113 -3.461 5.130 -8.533 1.00 0.00 C ATOM 1562 CD1 LEU A 113 -3.156 4.610 -7.136 1.00 0.00 C ATOM 1563 CD2 LEU A 113 -3.666 3.954 -9.478 1.00 0.00 C ATOM 0 H LEU A 113 -6.544 7.541 -8.860 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.674 7.850 -8.233 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -5.169 5.906 -7.488 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.471 5.529 -9.172 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.632 5.744 -8.884 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.240 4.019 -7.160 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.028 5.451 -6.455 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -3.981 3.987 -6.792 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.755 3.357 -9.519 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.488 3.336 -9.117 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.902 4.325 -10.475 1.00 0.00 H new ATOM 1575 N LEU A 114 -3.229 8.536 -10.637 1.00 0.00 N ATOM 1576 CA LEU A 114 -2.689 8.677 -12.009 1.00 0.00 C ATOM 1577 C LEU A 114 -1.256 9.233 -12.012 1.00 0.00 C ATOM 1578 O LEU A 114 -0.892 10.001 -12.881 1.00 0.00 O ATOM 1579 CB LEU A 114 -3.599 9.660 -12.763 1.00 0.00 C ATOM 1580 CG LEU A 114 -4.837 8.923 -13.233 1.00 0.00 C ATOM 1581 CD1 LEU A 114 -6.003 9.898 -13.337 1.00 0.00 C ATOM 1582 CD2 LEU A 114 -4.558 8.338 -14.595 1.00 0.00 C ATOM 0 H LEU A 114 -3.025 9.312 -10.007 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.663 7.694 -12.480 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.878 10.489 -12.113 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.069 10.087 -13.614 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.090 8.133 -12.526 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -6.893 9.367 -13.675 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.195 10.342 -12.360 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.757 10.684 -14.050 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.439 7.803 -14.949 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.315 9.140 -15.293 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.717 7.648 -14.529 1.00 0.00 H new ATOM 1594 N TYR A 115 -0.465 8.832 -11.058 1.00 0.00 N ATOM 1595 CA TYR A 115 0.934 9.345 -11.024 1.00 0.00 C ATOM 1596 C TYR A 115 1.884 8.336 -10.394 1.00 0.00 C ATOM 1597 O TYR A 115 2.406 8.559 -9.333 1.00 0.00 O ATOM 1598 CB TYR A 115 0.947 10.627 -10.181 1.00 0.00 C ATOM 1599 CG TYR A 115 -0.098 11.586 -10.738 1.00 0.00 C ATOM 1600 CD1 TYR A 115 0.115 12.218 -11.943 1.00 0.00 C ATOM 1601 CD2 TYR A 115 -1.279 11.808 -10.064 1.00 0.00 C ATOM 1602 CE1 TYR A 115 -0.839 13.058 -12.470 1.00 0.00 C ATOM 1603 CE2 TYR A 115 -2.235 12.648 -10.590 1.00 0.00 C ATOM 1604 CZ TYR A 115 -2.022 13.280 -11.799 1.00 0.00 C ATOM 1605 OH TYR A 115 -2.980 14.120 -12.330 1.00 0.00 O ATOM 0 H TYR A 115 -0.718 8.183 -10.313 1.00 0.00 H new ATOM 0 HA TYR A 115 1.266 9.531 -12.045 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.731 10.396 -9.138 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.935 11.087 -10.207 1.00 0.00 H new ATOM 0 HD1 TYR A 115 1.038 12.053 -12.479 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.456 11.320 -9.117 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.659 13.547 -13.416 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.157 12.814 -10.053 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.751 14.160 -11.726 1.00 0.00 H new ATOM 1615 N PRO A 116 2.107 7.239 -11.083 1.00 0.00 N ATOM 1616 CA PRO A 116 2.997 6.193 -10.585 1.00 0.00 C ATOM 1617 C PRO A 116 4.457 6.605 -10.706 1.00 0.00 C ATOM 1618 O PRO A 116 4.778 7.558 -11.386 1.00 0.00 O ATOM 1619 CB PRO A 116 2.741 4.999 -11.512 1.00 0.00 C ATOM 1620 CG PRO A 116 1.869 5.509 -12.704 1.00 0.00 C ATOM 1621 CD PRO A 116 1.498 6.968 -12.397 1.00 0.00 C ATOM 0 HA PRO A 116 2.809 5.980 -9.533 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.682 4.586 -11.875 1.00 0.00 H new ATOM 0 HB3 PRO A 116 2.228 4.200 -10.976 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.420 5.440 -13.642 1.00 0.00 H new ATOM 0 HG3 PRO A 116 0.973 4.898 -12.815 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.884 7.644 -13.160 1.00 0.00 H new ATOM 0 HD3 PRO A 116 0.417 7.104 -12.368 1.00 0.00 H new ATOM 1629 N VAL A 117 5.311 5.876 -10.035 1.00 0.00 N ATOM 1630 CA VAL A 117 6.761 6.195 -10.090 1.00 0.00 C ATOM 1631 C VAL A 117 7.542 4.930 -10.372 1.00 0.00 C ATOM 1632 O VAL A 117 7.313 3.914 -9.750 1.00 0.00 O ATOM 1633 CB VAL A 117 7.202 6.752 -8.731 1.00 0.00 C ATOM 1634 CG1 VAL A 117 6.994 8.267 -8.713 1.00 0.00 C ATOM 1635 CG2 VAL A 117 6.364 6.113 -7.633 1.00 0.00 C ATOM 0 H VAL A 117 5.063 5.076 -9.453 1.00 0.00 H new ATOM 0 HA VAL A 117 6.945 6.928 -10.876 1.00 0.00 H new ATOM 0 HB VAL A 117 8.256 6.528 -8.566 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.307 8.666 -7.748 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.587 8.725 -9.504 1.00 0.00 H new ATOM 0 HG13 VAL A 117 5.940 8.491 -8.874 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.673 6.505 -6.664 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.311 6.343 -7.798 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.506 5.032 -7.649 1.00 0.00 H new ATOM 1645 N SER A 118 8.443 4.994 -11.304 1.00 0.00 N ATOM 1646 CA SER A 118 9.226 3.779 -11.609 1.00 0.00 C ATOM 1647 C SER A 118 10.434 4.083 -12.459 1.00 0.00 C ATOM 1648 O SER A 118 10.897 5.207 -12.515 1.00 0.00 O ATOM 1649 CB SER A 118 8.333 2.807 -12.366 1.00 0.00 C ATOM 1650 OG SER A 118 8.986 1.554 -12.232 1.00 0.00 O ATOM 0 H SER A 118 8.667 5.821 -11.858 1.00 0.00 H new ATOM 0 HA SER A 118 9.574 3.355 -10.667 1.00 0.00 H new ATOM 0 HB2 SER A 118 7.328 2.779 -11.944 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.232 3.093 -13.413 1.00 0.00 H new ATOM 0 HG SER A 118 8.468 0.864 -12.696 1.00 0.00 H new