USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 806 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 97 LYS NZ :NH3+ -127:sc= 0.519 (180deg=-0.0989) USER MOD Set 1.2: A 126 HIS : no HE2:sc= -0.0973 K(o=0.42,f=-6.5!) USER MOD Set 2.1: A 122 ASN : amide:sc= -1.49 K(o=-2.8,f=-6.3!) USER MOD Set 2.2: A 124 MET CE :methyl -131:sc= -1.29 (180deg=-0.181) USER MOD Set 3.1: A 113 SER OG : rot -96:sc= 0.0272 USER MOD Set 3.2: A 115 SER OG : rot 180:sc= 0.0313 USER MOD Set 4.1: A 61 SER OG : rot -78:sc= 0.846 USER MOD Set 4.2: A 62 GLN : amide:sc= -1.21 K(o=-0.24,f=-2.4!) USER MOD Set 4.3: A 67 SER OG : rot 180:sc= 0 USER MOD Set 4.4: A 68 SER OG : rot -64:sc= 0.125 USER MOD Set 5.1: A 38 THR OG1 : rot 177:sc= 1.85 USER MOD Set 5.2: A 47 GLN : amide:sc= 2.34 K(o=4.6,f=-5.8!) USER MOD Set 5.3: A 58 MET CE :methyl -132:sc= -2.35! (180deg=-2.69!) USER MOD Set 5.4: A 98 THR OG1 : rot 120:sc= 1.85 USER MOD Set 5.5: A 127 SER OG : rot -140:sc= 0.894 USER MOD Set 6.1: A 40 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0.171 X(o=0.17,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= -0.0489 (180deg=-0.304) USER MOD Single : A 45 GLN : amide:sc= -1.48 K(o=-1.5,f=-0.026) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= -0.0796 (180deg=-0.438) USER MOD Single : A 57 HIS : no HE2:sc= 0.722 K(o=0.72,f=-3.8!) USER MOD Single : A 63 SER OG : rot 2:sc= 0.979 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0.0565 K(o=0.056,f=-3.4) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0205 USER MOD Single : A 76 GLN : amide:sc= -0.917 K(o=-0.92,f=-0.098) USER MOD Single : A 78 SER OG : rot -91:sc= 1.21 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0.414 K(o=0.41,f=-0.13) USER MOD Single : A 85 ASN : amide:sc=-0.00968 K(o=-0.0097,f=-0.93) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.254 USER MOD Single : A 102 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.011) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -90:sc= 0.667 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.17) USER MOD Single : A 116 ASN : amide:sc= -0.783 K(o=-0.78,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HE2:sc= 1.29 K(o=1.3,f=-5.3!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.0478 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 25 -9.352 -2.669 14.030 1.00 0.00 N ATOM 2 CA ARG A 25 -9.118 -2.487 12.580 1.00 0.00 C ATOM 3 C ARG A 25 -7.942 -1.551 12.353 1.00 0.00 C ATOM 4 O ARG A 25 -7.805 -0.543 13.040 1.00 0.00 O ATOM 5 CB ARG A 25 -10.358 -1.907 11.897 1.00 0.00 C ATOM 6 CG ARG A 25 -11.604 -2.767 12.038 1.00 0.00 C ATOM 7 CD ARG A 25 -12.785 -2.151 11.310 1.00 0.00 C ATOM 8 NE ARG A 25 -13.072 -0.796 11.779 1.00 0.00 N ATOM 9 CZ ARG A 25 -14.186 -0.454 12.412 1.00 0.00 C ATOM 10 NH1 ARG A 25 -15.107 -1.367 12.688 1.00 0.00 N ATOM 11 NH2 ARG A 25 -14.374 0.798 12.791 1.00 0.00 N ATOM 0 HA ARG A 25 -8.899 -3.464 12.150 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -10.561 -0.921 12.314 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.144 -1.767 10.837 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -11.408 -3.763 11.640 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.848 -2.888 13.094 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.579 -2.128 10.240 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -13.665 -2.778 11.452 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.374 -0.071 11.609 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -14.961 -2.338 12.413 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -15.962 -1.098 13.175 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -13.662 1.502 12.597 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -15.231 1.060 13.278 1.00 0.00 H new ATOM 23 N LEU A 26 -7.092 -1.887 11.394 1.00 0.00 N ATOM 24 CA LEU A 26 -5.948 -1.053 11.073 1.00 0.00 C ATOM 25 C LEU A 26 -6.291 -0.109 9.931 1.00 0.00 C ATOM 26 O LEU A 26 -6.510 -0.538 8.801 1.00 0.00 O ATOM 27 CB LEU A 26 -4.746 -1.922 10.693 1.00 0.00 C ATOM 28 CG LEU A 26 -4.224 -2.842 11.797 1.00 0.00 C ATOM 29 CD1 LEU A 26 -3.060 -3.664 11.279 1.00 0.00 C ATOM 30 CD2 LEU A 26 -3.803 -2.039 13.021 1.00 0.00 C ATOM 0 H LEU A 26 -7.174 -2.730 10.826 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.690 -0.463 11.953 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.019 -2.534 9.833 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.934 -1.269 10.374 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.029 -3.514 12.095 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.694 -4.317 12.072 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.389 -4.269 10.434 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.259 -2.998 10.958 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.436 -2.716 13.792 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.013 -1.341 12.744 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.659 -1.484 13.404 1.00 0.00 H new ATOM 42 N SER A 27 -6.361 1.169 10.234 1.00 0.00 N ATOM 43 CA SER A 27 -6.632 2.171 9.223 1.00 0.00 C ATOM 44 C SER A 27 -5.475 3.154 9.156 1.00 0.00 C ATOM 45 O SER A 27 -4.750 3.338 10.134 1.00 0.00 O ATOM 46 CB SER A 27 -7.933 2.901 9.550 1.00 0.00 C ATOM 47 OG SER A 27 -8.995 1.979 9.739 1.00 0.00 O ATOM 0 H SER A 27 -6.234 1.541 11.175 1.00 0.00 H new ATOM 0 HA SER A 27 -6.740 1.686 8.253 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.802 3.501 10.450 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.182 3.589 8.742 1.00 0.00 H new ATOM 0 HG SER A 27 -9.818 2.467 9.949 1.00 0.00 H new ATOM 53 N TRP A 28 -5.305 3.792 8.006 1.00 0.00 N ATOM 54 CA TRP A 28 -4.208 4.732 7.811 1.00 0.00 C ATOM 55 C TRP A 28 -4.428 6.038 8.582 1.00 0.00 C ATOM 56 O TRP A 28 -3.710 7.014 8.381 1.00 0.00 O ATOM 57 CB TRP A 28 -3.994 5.014 6.318 1.00 0.00 C ATOM 58 CG TRP A 28 -5.232 5.426 5.561 1.00 0.00 C ATOM 59 CD1 TRP A 28 -6.322 6.097 6.044 1.00 0.00 C ATOM 60 CD2 TRP A 28 -5.487 5.208 4.167 1.00 0.00 C ATOM 61 NE1 TRP A 28 -7.243 6.289 5.043 1.00 0.00 N ATOM 62 CE2 TRP A 28 -6.752 5.755 3.880 1.00 0.00 C ATOM 63 CE3 TRP A 28 -4.768 4.596 3.134 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -7.313 5.711 2.604 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -5.326 4.555 1.869 1.00 0.00 C ATOM 66 CH2 TRP A 28 -6.587 5.109 1.614 1.00 0.00 C ATOM 0 H TRP A 28 -5.912 3.676 7.194 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.307 4.266 8.211 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.246 5.800 6.216 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.582 4.120 5.851 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.441 6.428 7.065 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -8.145 6.753 5.148 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.796 4.164 3.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.285 6.137 2.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.780 4.087 1.063 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -6.994 5.060 0.615 1.00 0.00 H new ATOM 77 N TYR A 29 -5.423 6.046 9.460 1.00 0.00 N ATOM 78 CA TYR A 29 -5.690 7.200 10.301 1.00 0.00 C ATOM 79 C TYR A 29 -5.266 6.925 11.738 1.00 0.00 C ATOM 80 O TYR A 29 -5.302 7.818 12.586 1.00 0.00 O ATOM 81 CB TYR A 29 -7.169 7.581 10.247 1.00 0.00 C ATOM 82 CG TYR A 29 -7.418 8.891 9.533 1.00 0.00 C ATOM 83 CD1 TYR A 29 -7.409 8.961 8.145 1.00 0.00 C ATOM 84 CD2 TYR A 29 -7.647 10.060 10.248 1.00 0.00 C ATOM 85 CE1 TYR A 29 -7.619 10.160 7.490 1.00 0.00 C ATOM 86 CE2 TYR A 29 -7.863 11.260 9.601 1.00 0.00 C ATOM 87 CZ TYR A 29 -7.846 11.307 8.224 1.00 0.00 C ATOM 88 OH TYR A 29 -8.051 12.508 7.580 1.00 0.00 O ATOM 0 H TYR A 29 -6.059 5.262 9.607 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.106 8.038 9.921 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.724 6.789 9.745 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.558 7.648 11.263 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.235 8.064 7.569 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.656 10.029 11.328 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.606 10.199 6.411 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.045 12.159 10.172 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.197 13.214 8.244 1.00 0.00 H new ATOM 98 N ASP A 30 -4.861 5.688 12.007 1.00 0.00 N ATOM 99 CA ASP A 30 -4.380 5.316 13.330 1.00 0.00 C ATOM 100 C ASP A 30 -2.949 5.805 13.518 1.00 0.00 C ATOM 101 O ASP A 30 -2.111 5.661 12.626 1.00 0.00 O ATOM 102 CB ASP A 30 -4.442 3.797 13.533 1.00 0.00 C ATOM 103 CG ASP A 30 -5.860 3.268 13.657 1.00 0.00 C ATOM 104 OD1 ASP A 30 -6.419 3.320 14.776 1.00 0.00 O ATOM 105 OD2 ASP A 30 -6.419 2.786 12.647 1.00 0.00 O ATOM 0 H ASP A 30 -4.857 4.928 11.327 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.026 5.786 14.072 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.949 3.304 12.695 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.883 3.534 14.431 1.00 0.00 H new ATOM 110 N PRO A 31 -2.655 6.410 14.678 1.00 0.00 N ATOM 111 CA PRO A 31 -1.322 6.937 14.991 1.00 0.00 C ATOM 112 C PRO A 31 -0.286 5.827 15.135 1.00 0.00 C ATOM 113 O PRO A 31 0.915 6.054 14.986 1.00 0.00 O ATOM 114 CB PRO A 31 -1.511 7.657 16.332 1.00 0.00 C ATOM 115 CG PRO A 31 -2.983 7.810 16.493 1.00 0.00 C ATOM 116 CD PRO A 31 -3.599 6.645 15.777 1.00 0.00 C ATOM 0 HA PRO A 31 -0.952 7.586 14.197 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.084 7.080 17.152 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.013 8.626 16.331 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.262 7.813 17.547 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.326 8.754 16.070 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.692 5.774 16.425 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.599 6.877 15.410 1.00 0.00 H new ATOM 124 N ASP A 32 -0.760 4.628 15.437 1.00 0.00 N ATOM 125 CA ASP A 32 0.113 3.472 15.579 1.00 0.00 C ATOM 126 C ASP A 32 0.062 2.595 14.335 1.00 0.00 C ATOM 127 O ASP A 32 0.509 1.446 14.356 1.00 0.00 O ATOM 128 CB ASP A 32 -0.257 2.656 16.825 1.00 0.00 C ATOM 129 CG ASP A 32 -1.688 2.150 16.809 1.00 0.00 C ATOM 130 OD1 ASP A 32 -2.616 2.988 16.817 1.00 0.00 O ATOM 131 OD2 ASP A 32 -1.888 0.915 16.826 1.00 0.00 O ATOM 0 H ASP A 32 -1.749 4.429 15.589 1.00 0.00 H new ATOM 0 HA ASP A 32 1.133 3.838 15.699 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.420 1.806 16.908 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.107 3.272 17.712 1.00 0.00 H new ATOM 136 N PHE A 33 -0.480 3.140 13.248 1.00 0.00 N ATOM 137 CA PHE A 33 -0.468 2.446 11.969 1.00 0.00 C ATOM 138 C PHE A 33 0.946 2.459 11.403 1.00 0.00 C ATOM 139 O PHE A 33 1.454 3.499 10.982 1.00 0.00 O ATOM 140 CB PHE A 33 -1.443 3.091 10.977 1.00 0.00 C ATOM 141 CG PHE A 33 -1.492 2.400 9.642 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.022 1.123 9.523 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.015 3.031 8.503 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.073 0.491 8.295 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.062 2.403 7.274 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.592 1.131 7.170 1.00 0.00 C ATOM 0 H PHE A 33 -0.930 4.055 13.230 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.791 1.417 12.128 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.442 3.093 11.412 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.159 4.133 10.827 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.399 0.617 10.400 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.602 4.026 8.578 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.489 -0.503 8.215 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.685 2.905 6.395 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.630 0.638 6.210 1.00 0.00 H new ATOM 156 N GLN A 34 1.579 1.302 11.416 1.00 0.00 N ATOM 157 CA GLN A 34 2.963 1.184 11.002 1.00 0.00 C ATOM 158 C GLN A 34 3.052 0.704 9.564 1.00 0.00 C ATOM 159 O GLN A 34 2.596 -0.388 9.233 1.00 0.00 O ATOM 160 CB GLN A 34 3.697 0.230 11.944 1.00 0.00 C ATOM 161 CG GLN A 34 3.840 0.786 13.351 1.00 0.00 C ATOM 162 CD GLN A 34 3.902 -0.298 14.405 1.00 0.00 C ATOM 163 OE1 GLN A 34 4.975 -0.794 14.747 1.00 0.00 O ATOM 164 NE2 GLN A 34 2.746 -0.659 14.943 1.00 0.00 N ATOM 0 H GLN A 34 1.152 0.424 11.711 1.00 0.00 H new ATOM 0 HA GLN A 34 3.438 2.164 11.053 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.160 -0.717 11.985 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.687 0.018 11.540 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.743 1.393 13.407 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.999 1.446 13.564 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.879 -0.222 14.630 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.723 -1.374 15.670 1.00 0.00 H new ATOM 173 N ALA A 35 3.625 1.536 8.713 1.00 0.00 N ATOM 174 CA ALA A 35 3.774 1.215 7.307 1.00 0.00 C ATOM 175 C ALA A 35 5.048 1.831 6.766 1.00 0.00 C ATOM 176 O ALA A 35 5.546 2.815 7.313 1.00 0.00 O ATOM 177 CB ALA A 35 2.570 1.714 6.519 1.00 0.00 C ATOM 0 H ALA A 35 3.998 2.448 8.976 1.00 0.00 H new ATOM 0 HA ALA A 35 3.833 0.132 7.199 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.696 1.466 5.465 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.665 1.239 6.898 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.486 2.795 6.629 1.00 0.00 H new ATOM 183 N ARG A 36 5.577 1.251 5.704 1.00 0.00 N ATOM 184 CA ARG A 36 6.773 1.770 5.073 1.00 0.00 C ATOM 185 C ARG A 36 6.766 1.459 3.587 1.00 0.00 C ATOM 186 O ARG A 36 6.147 0.489 3.145 1.00 0.00 O ATOM 187 CB ARG A 36 8.035 1.176 5.708 1.00 0.00 C ATOM 188 CG ARG A 36 8.141 -0.332 5.573 1.00 0.00 C ATOM 189 CD ARG A 36 9.562 -0.807 5.823 1.00 0.00 C ATOM 190 NE ARG A 36 10.076 -0.381 7.124 1.00 0.00 N ATOM 191 CZ ARG A 36 11.353 -0.492 7.485 1.00 0.00 C ATOM 192 NH1 ARG A 36 12.231 -1.050 6.658 1.00 0.00 N ATOM 193 NH2 ARG A 36 11.747 -0.062 8.673 1.00 0.00 N ATOM 0 H ARG A 36 5.194 0.417 5.260 1.00 0.00 H new ATOM 0 HA ARG A 36 6.781 2.850 5.219 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.911 1.634 5.249 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.055 1.438 6.766 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.465 -0.812 6.281 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.824 -0.634 4.575 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.594 -1.895 5.762 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.213 -0.425 5.036 1.00 0.00 H new ATOM 0 HE ARG A 36 9.420 0.024 7.792 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.927 -1.393 5.747 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.209 -1.135 6.934 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.072 0.355 9.314 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.726 -0.148 8.948 1.00 0.00 H new ATOM 206 N LEU A 37 7.439 2.300 2.828 1.00 0.00 N ATOM 207 CA LEU A 37 7.671 2.043 1.423 1.00 0.00 C ATOM 208 C LEU A 37 9.054 1.436 1.270 1.00 0.00 C ATOM 209 O LEU A 37 9.988 1.837 1.968 1.00 0.00 O ATOM 210 CB LEU A 37 7.563 3.340 0.616 1.00 0.00 C ATOM 211 CG LEU A 37 6.204 4.039 0.702 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.227 5.353 -0.058 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.110 3.139 0.158 1.00 0.00 C ATOM 0 H LEU A 37 7.838 3.176 3.166 1.00 0.00 H new ATOM 0 HA LEU A 37 6.918 1.352 1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.333 4.030 0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.777 3.119 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 37 5.995 4.250 1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.251 5.833 0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.987 6.007 0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.459 5.163 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.150 3.651 0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.320 2.900 -0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.073 2.219 0.741 1.00 0.00 H new ATOM 225 N THR A 38 9.172 0.453 0.392 1.00 0.00 N ATOM 226 CA THR A 38 10.439 -0.228 0.174 1.00 0.00 C ATOM 227 C THR A 38 11.522 0.763 -0.244 1.00 0.00 C ATOM 228 O THR A 38 11.270 1.686 -1.022 1.00 0.00 O ATOM 229 CB THR A 38 10.302 -1.327 -0.896 1.00 0.00 C ATOM 230 OG1 THR A 38 9.718 -0.778 -2.082 1.00 0.00 O ATOM 231 CG2 THR A 38 9.441 -2.475 -0.389 1.00 0.00 C ATOM 0 H THR A 38 8.404 0.108 -0.183 1.00 0.00 H new ATOM 0 HA THR A 38 10.727 -0.693 1.117 1.00 0.00 H new ATOM 0 HB THR A 38 11.297 -1.712 -1.120 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.671 -1.470 -2.774 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.360 -3.238 -1.163 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.899 -2.908 0.501 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.447 -2.102 -0.141 1.00 0.00 H new ATOM 239 N ARG A 39 12.728 0.565 0.272 1.00 0.00 N ATOM 240 CA ARG A 39 13.823 1.498 0.030 1.00 0.00 C ATOM 241 C ARG A 39 14.430 1.248 -1.345 1.00 0.00 C ATOM 242 O ARG A 39 15.595 0.866 -1.461 1.00 0.00 O ATOM 243 CB ARG A 39 14.925 1.397 1.103 1.00 0.00 C ATOM 244 CG ARG A 39 14.467 0.825 2.438 1.00 0.00 C ATOM 245 CD ARG A 39 14.415 -0.695 2.388 1.00 0.00 C ATOM 246 NE ARG A 39 13.633 -1.259 3.480 1.00 0.00 N ATOM 247 CZ ARG A 39 12.651 -2.137 3.297 1.00 0.00 C ATOM 248 NH1 ARG A 39 12.323 -2.506 2.065 1.00 0.00 N ATOM 249 NH2 ARG A 39 11.984 -2.624 4.332 1.00 0.00 N ATOM 0 H ARG A 39 12.974 -0.232 0.860 1.00 0.00 H new ATOM 0 HA ARG A 39 13.404 2.503 0.077 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.733 0.776 0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.339 2.391 1.273 1.00 0.00 H new ATOM 0 HG2 ARG A 39 15.148 1.144 3.228 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.482 1.219 2.688 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.986 -1.010 1.437 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.429 -1.092 2.428 1.00 0.00 H new ATOM 0 HE ARG A 39 13.849 -0.966 4.433 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.823 -2.117 1.266 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.571 -3.179 1.917 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.222 -2.326 5.278 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.232 -3.297 4.183 1.00 0.00 H new ATOM 262 N SER A 40 13.623 1.445 -2.377 1.00 0.00 N ATOM 263 CA SER A 40 14.071 1.284 -3.751 1.00 0.00 C ATOM 264 C SER A 40 15.194 2.280 -4.046 1.00 0.00 C ATOM 265 O SER A 40 16.371 1.912 -4.094 1.00 0.00 O ATOM 266 CB SER A 40 12.885 1.479 -4.711 1.00 0.00 C ATOM 267 OG SER A 40 13.275 1.311 -6.065 1.00 0.00 O ATOM 0 H SER A 40 12.645 1.719 -2.286 1.00 0.00 H new ATOM 0 HA SER A 40 14.462 0.277 -3.896 1.00 0.00 H new ATOM 0 HB2 SER A 40 12.098 0.765 -4.467 1.00 0.00 H new ATOM 0 HB3 SER A 40 12.465 2.476 -4.574 1.00 0.00 H new ATOM 0 HG SER A 40 12.498 1.440 -6.648 1.00 0.00 H new ATOM 273 N ASN A 41 14.826 3.538 -4.211 1.00 0.00 N ATOM 274 CA ASN A 41 15.793 4.622 -4.345 1.00 0.00 C ATOM 275 C ASN A 41 15.304 5.812 -3.546 1.00 0.00 C ATOM 276 O ASN A 41 16.009 6.338 -2.684 1.00 0.00 O ATOM 277 CB ASN A 41 15.991 5.025 -5.810 1.00 0.00 C ATOM 278 CG ASN A 41 16.724 3.976 -6.622 1.00 0.00 C ATOM 279 OD1 ASN A 41 16.113 3.089 -7.217 1.00 0.00 O ATOM 280 ND2 ASN A 41 18.042 4.073 -6.656 1.00 0.00 N ATOM 0 H ASN A 41 13.853 3.840 -4.256 1.00 0.00 H new ATOM 0 HA ASN A 41 16.756 4.278 -3.967 1.00 0.00 H new ATOM 0 HB2 ASN A 41 15.018 5.212 -6.264 1.00 0.00 H new ATOM 0 HB3 ASN A 41 16.547 5.961 -5.851 1.00 0.00 H new ATOM 0 HD21 ASN A 41 18.589 3.398 -7.189 1.00 0.00 H new ATOM 0 HD22 ASN A 41 18.511 4.823 -6.149 1.00 0.00 H new ATOM 287 N SER A 42 14.087 6.221 -3.843 1.00 0.00 N ATOM 288 CA SER A 42 13.412 7.236 -3.069 1.00 0.00 C ATOM 289 C SER A 42 12.597 6.550 -1.980 1.00 0.00 C ATOM 290 O SER A 42 11.787 5.668 -2.269 1.00 0.00 O ATOM 291 CB SER A 42 12.513 8.066 -3.986 1.00 0.00 C ATOM 292 OG SER A 42 13.243 8.539 -5.107 1.00 0.00 O ATOM 0 H SER A 42 13.542 5.859 -4.625 1.00 0.00 H new ATOM 0 HA SER A 42 14.134 7.908 -2.605 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.671 7.462 -4.323 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.099 8.909 -3.433 1.00 0.00 H new ATOM 0 HG SER A 42 12.652 9.066 -5.684 1.00 0.00 H new ATOM 298 N LYS A 43 12.827 6.933 -0.731 1.00 0.00 N ATOM 299 CA LYS A 43 12.196 6.255 0.400 1.00 0.00 C ATOM 300 C LYS A 43 10.697 6.528 0.435 1.00 0.00 C ATOM 301 O LYS A 43 9.947 5.845 1.129 1.00 0.00 O ATOM 302 CB LYS A 43 12.837 6.672 1.734 1.00 0.00 C ATOM 303 CG LYS A 43 12.479 8.076 2.205 1.00 0.00 C ATOM 304 CD LYS A 43 13.177 9.154 1.391 1.00 0.00 C ATOM 305 CE LYS A 43 12.762 10.542 1.848 1.00 0.00 C ATOM 306 NZ LYS A 43 13.023 10.752 3.298 1.00 0.00 N ATOM 0 H LYS A 43 13.442 7.705 -0.473 1.00 0.00 H new ATOM 0 HA LYS A 43 12.354 5.185 0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.538 5.959 2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.920 6.602 1.638 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.400 8.215 2.138 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.750 8.184 3.255 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.257 9.044 1.488 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.937 9.029 0.335 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.303 11.291 1.270 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.701 10.688 1.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.937 11.764 3.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.332 10.212 3.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.984 10.427 3.528 1.00 0.00 H new ATOM 319 N CYS A 44 10.266 7.530 -0.312 1.00 0.00 N ATOM 320 CA CYS A 44 8.861 7.871 -0.383 1.00 0.00 C ATOM 321 C CYS A 44 8.303 7.507 -1.757 1.00 0.00 C ATOM 322 O CYS A 44 7.375 8.148 -2.259 1.00 0.00 O ATOM 323 CB CYS A 44 8.674 9.358 -0.098 1.00 0.00 C ATOM 324 SG CYS A 44 7.231 9.751 0.938 1.00 0.00 S ATOM 0 H CYS A 44 10.874 8.122 -0.879 1.00 0.00 H new ATOM 0 HA CYS A 44 8.314 7.303 0.370 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.571 9.737 0.392 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.580 9.888 -1.046 1.00 0.00 H new ATOM 329 N GLN A 45 8.901 6.489 -2.373 1.00 0.00 N ATOM 330 CA GLN A 45 8.415 5.955 -3.639 1.00 0.00 C ATOM 331 C GLN A 45 8.838 4.496 -3.790 1.00 0.00 C ATOM 332 O GLN A 45 9.962 4.200 -4.199 1.00 0.00 O ATOM 333 CB GLN A 45 8.949 6.779 -4.813 1.00 0.00 C ATOM 334 CG GLN A 45 8.445 6.311 -6.171 1.00 0.00 C ATOM 335 CD GLN A 45 8.957 7.166 -7.314 1.00 0.00 C ATOM 336 OE1 GLN A 45 9.126 6.683 -8.435 1.00 0.00 O ATOM 337 NE2 GLN A 45 9.205 8.442 -7.045 1.00 0.00 N ATOM 0 H GLN A 45 9.729 6.016 -2.011 1.00 0.00 H new ATOM 0 HA GLN A 45 7.327 6.013 -3.642 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.667 7.822 -4.671 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.038 6.740 -4.807 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.752 5.277 -6.331 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.355 6.324 -6.173 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.052 8.804 -6.104 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.548 9.061 -7.780 1.00 0.00 H new ATOM 346 N GLY A 46 7.934 3.593 -3.458 1.00 0.00 N ATOM 347 CA GLY A 46 8.231 2.174 -3.524 1.00 0.00 C ATOM 348 C GLY A 46 7.002 1.339 -3.229 1.00 0.00 C ATOM 349 O GLY A 46 5.888 1.869 -3.198 1.00 0.00 O ATOM 0 H GLY A 46 6.991 3.816 -3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.612 1.926 -4.515 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.018 1.932 -2.810 1.00 0.00 H new ATOM 353 N GLN A 47 7.198 0.044 -3.012 1.00 0.00 N ATOM 354 CA GLN A 47 6.098 -0.852 -2.674 1.00 0.00 C ATOM 355 C GLN A 47 5.652 -0.604 -1.238 1.00 0.00 C ATOM 356 O GLN A 47 6.477 -0.326 -0.367 1.00 0.00 O ATOM 357 CB GLN A 47 6.500 -2.326 -2.840 1.00 0.00 C ATOM 358 CG GLN A 47 6.683 -2.773 -4.285 1.00 0.00 C ATOM 359 CD GLN A 47 8.113 -2.656 -4.781 1.00 0.00 C ATOM 360 OE1 GLN A 47 8.872 -1.791 -4.354 1.00 0.00 O ATOM 361 NE2 GLN A 47 8.490 -3.537 -5.693 1.00 0.00 N ATOM 0 H GLN A 47 8.110 -0.410 -3.064 1.00 0.00 H new ATOM 0 HA GLN A 47 5.276 -0.645 -3.359 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.430 -2.499 -2.299 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.739 -2.952 -2.373 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.358 -3.809 -4.380 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.035 -2.176 -4.926 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.831 -4.242 -6.024 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.439 -3.511 -6.065 1.00 0.00 H new ATOM 370 N LEU A 48 4.354 -0.707 -0.998 1.00 0.00 N ATOM 371 CA LEU A 48 3.798 -0.451 0.323 1.00 0.00 C ATOM 372 C LEU A 48 3.764 -1.719 1.167 1.00 0.00 C ATOM 373 O LEU A 48 3.074 -2.684 0.834 1.00 0.00 O ATOM 374 CB LEU A 48 2.384 0.132 0.206 1.00 0.00 C ATOM 375 CG LEU A 48 1.709 0.501 1.534 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.462 1.622 2.230 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.258 0.901 1.300 1.00 0.00 C ATOM 0 H LEU A 48 3.664 -0.967 -1.702 1.00 0.00 H new ATOM 0 HA LEU A 48 4.446 0.273 0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.428 1.024 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.754 -0.590 -0.313 1.00 0.00 H new ATOM 0 HG LEU A 48 1.729 -0.376 2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.965 1.866 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.484 1.302 2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.478 2.503 1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.206 1.160 2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.221 1.762 0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.281 0.068 0.848 1.00 0.00 H new ATOM 389 N GLU A 49 4.521 -1.708 2.251 1.00 0.00 N ATOM 390 CA GLU A 49 4.466 -2.774 3.237 1.00 0.00 C ATOM 391 C GLU A 49 3.904 -2.225 4.538 1.00 0.00 C ATOM 392 O GLU A 49 4.379 -1.210 5.053 1.00 0.00 O ATOM 393 CB GLU A 49 5.847 -3.394 3.478 1.00 0.00 C ATOM 394 CG GLU A 49 6.342 -4.262 2.332 1.00 0.00 C ATOM 395 CD GLU A 49 7.651 -4.957 2.648 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.713 -4.312 2.550 1.00 0.00 O ATOM 397 OE2 GLU A 49 7.626 -6.156 3.001 1.00 0.00 O ATOM 0 H GLU A 49 5.186 -0.967 2.472 1.00 0.00 H new ATOM 0 HA GLU A 49 3.817 -3.562 2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.567 -2.595 3.653 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.811 -3.995 4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.586 -5.011 2.096 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.469 -3.645 1.443 1.00 0.00 H new ATOM 404 N VAL A 50 2.881 -2.883 5.053 1.00 0.00 N ATOM 405 CA VAL A 50 2.228 -2.442 6.274 1.00 0.00 C ATOM 406 C VAL A 50 2.372 -3.489 7.370 1.00 0.00 C ATOM 407 O VAL A 50 2.507 -4.683 7.092 1.00 0.00 O ATOM 408 CB VAL A 50 0.727 -2.130 6.051 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.552 -0.993 5.055 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.027 -3.364 5.580 1.00 0.00 C ATOM 0 H VAL A 50 2.483 -3.728 4.643 1.00 0.00 H new ATOM 0 HA VAL A 50 2.723 -1.521 6.582 1.00 0.00 H new ATOM 0 HB VAL A 50 0.309 -1.820 7.009 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.510 -0.792 4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.043 -0.097 5.435 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.997 -1.274 4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.078 -3.114 5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.399 -3.714 4.639 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.057 -4.150 6.330 1.00 0.00 H new ATOM 420 N TYR A 51 2.374 -3.033 8.611 1.00 0.00 N ATOM 421 CA TYR A 51 2.470 -3.930 9.749 1.00 0.00 C ATOM 422 C TYR A 51 1.081 -4.260 10.266 1.00 0.00 C ATOM 423 O TYR A 51 0.429 -3.429 10.900 1.00 0.00 O ATOM 424 CB TYR A 51 3.315 -3.309 10.870 1.00 0.00 C ATOM 425 CG TYR A 51 3.534 -4.235 12.052 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.484 -5.248 11.999 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.791 -4.097 13.222 1.00 0.00 C ATOM 428 CE1 TYR A 51 4.688 -6.096 13.073 1.00 0.00 C ATOM 429 CE2 TYR A 51 2.991 -4.941 14.299 1.00 0.00 C ATOM 430 CZ TYR A 51 3.939 -5.938 14.219 1.00 0.00 C ATOM 431 OH TYR A 51 4.142 -6.780 15.290 1.00 0.00 O ATOM 0 H TYR A 51 2.310 -2.045 8.856 1.00 0.00 H new ATOM 0 HA TYR A 51 2.960 -4.847 9.422 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.284 -3.017 10.464 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.828 -2.398 11.218 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.074 -5.376 11.103 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.046 -3.318 13.289 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.431 -6.878 13.014 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.407 -4.819 15.199 1.00 0.00 H new ATOM 0 HH TYR A 51 3.535 -6.534 16.019 1.00 0.00 H new ATOM 441 N LEU A 52 0.627 -5.468 9.981 1.00 0.00 N ATOM 442 CA LEU A 52 -0.655 -5.927 10.476 1.00 0.00 C ATOM 443 C LEU A 52 -0.451 -6.678 11.782 1.00 0.00 C ATOM 444 O LEU A 52 0.682 -6.799 12.252 1.00 0.00 O ATOM 445 CB LEU A 52 -1.373 -6.818 9.453 1.00 0.00 C ATOM 446 CG LEU A 52 -1.678 -6.164 8.103 1.00 0.00 C ATOM 447 CD1 LEU A 52 -0.585 -6.468 7.090 1.00 0.00 C ATOM 448 CD2 LEU A 52 -3.033 -6.619 7.588 1.00 0.00 C ATOM 0 H LEU A 52 1.129 -6.147 9.409 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.288 -5.057 10.647 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.762 -7.703 9.277 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.311 -7.160 9.891 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.708 -5.084 8.246 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.827 -5.992 6.140 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.367 -6.085 7.456 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.511 -7.546 6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.235 -6.145 6.627 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.031 -7.702 7.465 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.807 -6.337 8.302 1.00 0.00 H new ATOM 460 N LYS A 53 -1.527 -7.179 12.367 1.00 0.00 N ATOM 461 CA LYS A 53 -1.432 -7.930 13.615 1.00 0.00 C ATOM 462 C LYS A 53 -0.598 -9.192 13.393 1.00 0.00 C ATOM 463 O LYS A 53 0.122 -9.650 14.281 1.00 0.00 O ATOM 464 CB LYS A 53 -2.839 -8.271 14.127 1.00 0.00 C ATOM 465 CG LYS A 53 -2.921 -8.515 15.628 1.00 0.00 C ATOM 466 CD LYS A 53 -2.499 -9.922 16.017 1.00 0.00 C ATOM 467 CE LYS A 53 -2.592 -10.133 17.522 1.00 0.00 C ATOM 468 NZ LYS A 53 -3.928 -9.750 18.057 1.00 0.00 N ATOM 0 H LYS A 53 -2.474 -7.082 12.002 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.936 -7.324 14.373 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.514 -7.456 13.866 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.196 -9.160 13.607 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.287 -7.794 16.144 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.943 -8.340 15.965 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.132 -10.648 15.506 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.476 -10.102 15.685 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.395 -11.180 17.754 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.820 -9.545 18.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.042 -10.137 19.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.004 -8.713 18.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.672 -10.132 17.439 1.00 0.00 H new ATOM 481 N ASP A 54 -0.695 -9.730 12.186 1.00 0.00 N ATOM 482 CA ASP A 54 0.098 -10.885 11.781 1.00 0.00 C ATOM 483 C ASP A 54 1.564 -10.505 11.569 1.00 0.00 C ATOM 484 O ASP A 54 2.465 -11.269 11.921 1.00 0.00 O ATOM 485 CB ASP A 54 -0.481 -11.505 10.503 1.00 0.00 C ATOM 486 CG ASP A 54 -0.799 -10.469 9.440 1.00 0.00 C ATOM 487 OD1 ASP A 54 0.118 -10.055 8.703 1.00 0.00 O ATOM 488 OD2 ASP A 54 -1.975 -10.059 9.351 1.00 0.00 O ATOM 0 H ASP A 54 -1.322 -9.381 11.461 1.00 0.00 H new ATOM 0 HA ASP A 54 0.055 -11.621 12.584 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.230 -12.226 10.100 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.388 -12.056 10.750 1.00 0.00 H new ATOM 493 N GLY A 55 1.802 -9.330 11.003 1.00 0.00 N ATOM 494 CA GLY A 55 3.158 -8.878 10.763 1.00 0.00 C ATOM 495 C GLY A 55 3.262 -7.999 9.531 1.00 0.00 C ATOM 496 O GLY A 55 2.250 -7.506 9.035 1.00 0.00 O ATOM 0 H GLY A 55 1.076 -8.679 10.704 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.514 -8.325 11.632 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.812 -9.742 10.646 1.00 0.00 H new ATOM 500 N TRP A 56 4.479 -7.801 9.039 1.00 0.00 N ATOM 501 CA TRP A 56 4.698 -6.990 7.844 1.00 0.00 C ATOM 502 C TRP A 56 4.255 -7.740 6.598 1.00 0.00 C ATOM 503 O TRP A 56 4.651 -8.887 6.380 1.00 0.00 O ATOM 504 CB TRP A 56 6.174 -6.597 7.709 1.00 0.00 C ATOM 505 CG TRP A 56 6.634 -5.598 8.732 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.319 -5.856 9.885 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.447 -4.176 8.690 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.562 -4.686 10.561 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.037 -3.641 9.850 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.835 -3.303 7.787 1.00 0.00 C ATOM 511 CZ2 TRP A 56 7.035 -2.275 10.127 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.834 -1.950 8.063 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.430 -1.446 9.224 1.00 0.00 C ATOM 0 H TRP A 56 5.329 -8.190 9.447 1.00 0.00 H new ATOM 0 HA TRP A 56 4.102 -6.083 7.946 1.00 0.00 H new ATOM 0 HB2 TRP A 56 6.788 -7.494 7.790 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.341 -6.186 6.713 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.625 -6.837 10.217 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.055 -4.608 11.451 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.370 -3.680 6.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.495 -1.885 11.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.364 -1.268 7.370 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.412 -0.382 9.410 1.00 0.00 H new ATOM 524 N HIS A 57 3.432 -7.094 5.785 1.00 0.00 N ATOM 525 CA HIS A 57 2.966 -7.685 4.540 1.00 0.00 C ATOM 526 C HIS A 57 2.845 -6.629 3.445 1.00 0.00 C ATOM 527 O HIS A 57 2.632 -5.447 3.725 1.00 0.00 O ATOM 528 CB HIS A 57 1.626 -8.400 4.746 1.00 0.00 C ATOM 529 CG HIS A 57 1.768 -9.833 5.169 1.00 0.00 C ATOM 530 ND1 HIS A 57 1.301 -10.332 6.371 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.314 -10.890 4.520 1.00 0.00 C ATOM 532 CE1 HIS A 57 1.556 -11.624 6.439 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.169 -11.989 5.330 1.00 0.00 N ATOM 0 H HIS A 57 3.072 -6.157 5.967 1.00 0.00 H new ATOM 0 HA HIS A 57 3.704 -8.421 4.222 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.049 -7.863 5.499 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.055 -8.359 3.818 1.00 0.00 H new ATOM 0 HD1 HIS A 57 0.832 -9.785 7.093 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.778 -10.871 3.545 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.305 -12.274 7.264 1.00 0.00 H new ATOM 541 N MET A 58 2.984 -7.071 2.201 1.00 0.00 N ATOM 542 CA MET A 58 2.979 -6.180 1.046 1.00 0.00 C ATOM 543 C MET A 58 1.561 -5.953 0.550 1.00 0.00 C ATOM 544 O MET A 58 0.815 -6.907 0.340 1.00 0.00 O ATOM 545 CB MET A 58 3.808 -6.774 -0.097 1.00 0.00 C ATOM 546 CG MET A 58 5.289 -6.924 0.206 1.00 0.00 C ATOM 547 SD MET A 58 6.173 -7.784 -1.109 1.00 0.00 S ATOM 548 CE MET A 58 5.777 -6.752 -2.517 1.00 0.00 C ATOM 0 H MET A 58 3.103 -8.056 1.964 1.00 0.00 H new ATOM 0 HA MET A 58 3.413 -5.231 1.360 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.402 -7.753 -0.352 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.693 -6.142 -0.978 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.729 -5.938 0.352 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.413 -7.470 1.141 1.00 0.00 H new ATOM 0 HE1 MET A 58 5.450 -7.379 -3.347 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.978 -6.061 -2.248 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.661 -6.188 -2.814 1.00 0.00 H new ATOM 558 N VAL A 59 1.196 -4.699 0.340 1.00 0.00 N ATOM 559 CA VAL A 59 -0.131 -4.374 -0.157 1.00 0.00 C ATOM 560 C VAL A 59 -0.136 -4.392 -1.682 1.00 0.00 C ATOM 561 O VAL A 59 0.734 -3.800 -2.325 1.00 0.00 O ATOM 562 CB VAL A 59 -0.606 -2.992 0.348 1.00 0.00 C ATOM 563 CG1 VAL A 59 -1.996 -2.659 -0.185 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.596 -2.944 1.867 1.00 0.00 C ATOM 0 H VAL A 59 1.797 -3.892 0.505 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.821 -5.128 0.223 1.00 0.00 H new ATOM 0 HB VAL A 59 0.090 -2.242 -0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.304 -1.682 0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.973 -2.642 -1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.705 -3.415 0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.933 -1.963 2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.263 -3.711 2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.416 -3.123 2.230 1.00 0.00 H new ATOM 574 N CYS A 60 -1.094 -5.096 -2.257 1.00 0.00 N ATOM 575 CA CYS A 60 -1.234 -5.149 -3.704 1.00 0.00 C ATOM 576 C CYS A 60 -2.305 -4.153 -4.142 1.00 0.00 C ATOM 577 O CYS A 60 -3.273 -3.925 -3.419 1.00 0.00 O ATOM 578 CB CYS A 60 -1.603 -6.569 -4.141 1.00 0.00 C ATOM 579 SG CYS A 60 -0.900 -7.050 -5.749 1.00 0.00 S ATOM 0 H CYS A 60 -1.788 -5.640 -1.745 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.288 -4.882 -4.176 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.263 -7.273 -3.381 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.689 -6.653 -4.190 1.00 0.00 H new ATOM 584 N SER A 61 -2.125 -3.553 -5.319 1.00 0.00 N ATOM 585 CA SER A 61 -3.000 -2.471 -5.771 1.00 0.00 C ATOM 586 C SER A 61 -4.385 -2.976 -6.188 1.00 0.00 C ATOM 587 O SER A 61 -5.329 -2.193 -6.298 1.00 0.00 O ATOM 588 CB SER A 61 -2.340 -1.698 -6.917 1.00 0.00 C ATOM 589 OG SER A 61 -1.943 -2.565 -7.963 1.00 0.00 O ATOM 0 H SER A 61 -1.383 -3.797 -5.975 1.00 0.00 H new ATOM 0 HA SER A 61 -3.148 -1.800 -4.925 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.036 -0.953 -7.304 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.471 -1.158 -6.541 1.00 0.00 H new ATOM 0 HG SER A 61 -1.111 -3.019 -7.713 1.00 0.00 H new ATOM 595 N GLN A 62 -4.509 -4.282 -6.405 1.00 0.00 N ATOM 596 CA GLN A 62 -5.802 -4.892 -6.709 1.00 0.00 C ATOM 597 C GLN A 62 -6.547 -5.162 -5.399 1.00 0.00 C ATOM 598 O GLN A 62 -6.970 -6.283 -5.117 1.00 0.00 O ATOM 599 CB GLN A 62 -5.604 -6.196 -7.492 1.00 0.00 C ATOM 600 CG GLN A 62 -6.890 -6.788 -8.053 1.00 0.00 C ATOM 601 CD GLN A 62 -7.463 -5.983 -9.203 1.00 0.00 C ATOM 602 OE1 GLN A 62 -6.728 -5.355 -9.969 1.00 0.00 O ATOM 603 NE2 GLN A 62 -8.780 -5.995 -9.334 1.00 0.00 N ATOM 0 H GLN A 62 -3.730 -4.940 -6.376 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.390 -4.213 -7.326 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.913 -6.012 -8.315 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.133 -6.931 -6.839 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.697 -7.806 -8.391 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.632 -6.851 -7.257 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.353 -6.527 -8.679 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.222 -5.472 -10.090 1.00 0.00 H new ATOM 612 N SER A 63 -6.690 -4.123 -4.593 1.00 0.00 N ATOM 613 CA SER A 63 -7.258 -4.263 -3.267 1.00 0.00 C ATOM 614 C SER A 63 -8.538 -3.443 -3.144 1.00 0.00 C ATOM 615 O SER A 63 -8.691 -2.418 -3.807 1.00 0.00 O ATOM 616 CB SER A 63 -6.236 -3.818 -2.212 1.00 0.00 C ATOM 617 OG SER A 63 -6.648 -4.181 -0.905 1.00 0.00 O ATOM 0 H SER A 63 -6.419 -3.171 -4.837 1.00 0.00 H new ATOM 0 HA SER A 63 -7.506 -5.311 -3.100 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.268 -4.270 -2.428 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.103 -2.738 -2.266 1.00 0.00 H new ATOM 0 HG SER A 63 -7.494 -4.673 -0.954 1.00 0.00 H new ATOM 623 N TRP A 64 -9.455 -3.919 -2.303 1.00 0.00 N ATOM 624 CA TRP A 64 -10.723 -3.233 -2.023 1.00 0.00 C ATOM 625 C TRP A 64 -11.561 -3.020 -3.286 1.00 0.00 C ATOM 626 O TRP A 64 -12.439 -2.156 -3.319 1.00 0.00 O ATOM 627 CB TRP A 64 -10.467 -1.887 -1.332 1.00 0.00 C ATOM 628 CG TRP A 64 -9.719 -2.011 -0.037 1.00 0.00 C ATOM 629 CD1 TRP A 64 -10.145 -2.627 1.106 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.415 -1.496 0.249 1.00 0.00 C ATOM 631 NE1 TRP A 64 -9.185 -2.523 2.083 1.00 0.00 N ATOM 632 CE2 TRP A 64 -8.115 -1.835 1.581 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.474 -0.783 -0.493 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.912 -1.483 2.183 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -6.281 -0.435 0.106 1.00 0.00 C ATOM 636 CH2 TRP A 64 -6.010 -0.784 1.431 1.00 0.00 C ATOM 0 H TRP A 64 -9.342 -4.795 -1.793 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.292 -3.881 -1.356 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.904 -1.242 -2.007 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.422 -1.396 -1.145 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -11.097 -3.123 1.224 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -9.258 -2.898 3.029 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.675 -0.508 -1.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.698 -1.752 3.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.544 0.117 -0.459 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.067 -0.495 1.871 1.00 0.00 H new ATOM 647 N GLY A 65 -11.301 -3.817 -4.315 1.00 0.00 N ATOM 648 CA GLY A 65 -12.048 -3.698 -5.554 1.00 0.00 C ATOM 649 C GLY A 65 -11.357 -2.812 -6.575 1.00 0.00 C ATOM 650 O GLY A 65 -11.791 -2.726 -7.723 1.00 0.00 O ATOM 0 H GLY A 65 -10.586 -4.544 -4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.195 -4.690 -5.981 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.037 -3.294 -5.339 1.00 0.00 H new ATOM 654 N ARG A 66 -10.281 -2.154 -6.158 1.00 0.00 N ATOM 655 CA ARG A 66 -9.527 -1.282 -7.046 1.00 0.00 C ATOM 656 C ARG A 66 -8.630 -2.104 -7.953 1.00 0.00 C ATOM 657 O ARG A 66 -8.203 -3.199 -7.594 1.00 0.00 O ATOM 658 CB ARG A 66 -8.698 -0.281 -6.237 1.00 0.00 C ATOM 659 CG ARG A 66 -9.540 0.792 -5.564 1.00 0.00 C ATOM 660 CD ARG A 66 -10.150 1.747 -6.583 1.00 0.00 C ATOM 661 NE ARG A 66 -11.163 2.610 -5.985 1.00 0.00 N ATOM 662 CZ ARG A 66 -11.246 3.917 -6.203 1.00 0.00 C ATOM 663 NH1 ARG A 66 -10.355 4.518 -6.977 1.00 0.00 N ATOM 664 NH2 ARG A 66 -12.213 4.624 -5.647 1.00 0.00 N ATOM 0 H ARG A 66 -9.912 -2.209 -5.209 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.230 -0.725 -7.665 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.132 -0.819 -5.477 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.973 0.196 -6.896 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.334 0.322 -4.984 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.923 1.353 -4.863 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.363 2.361 -7.021 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.596 1.174 -7.396 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.849 2.184 -5.362 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.604 3.977 -7.406 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.419 5.522 -7.144 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.900 4.166 -5.048 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.273 5.628 -5.817 1.00 0.00 H new ATOM 677 N SER A 67 -8.367 -1.572 -9.131 1.00 0.00 N ATOM 678 CA SER A 67 -7.560 -2.258 -10.121 1.00 0.00 C ATOM 679 C SER A 67 -6.112 -1.794 -10.015 1.00 0.00 C ATOM 680 O SER A 67 -5.839 -0.737 -9.443 1.00 0.00 O ATOM 681 CB SER A 67 -8.116 -1.964 -11.514 1.00 0.00 C ATOM 682 OG SER A 67 -7.555 -2.825 -12.492 1.00 0.00 O ATOM 0 H SER A 67 -8.705 -0.656 -9.428 1.00 0.00 H new ATOM 0 HA SER A 67 -7.593 -3.333 -9.945 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.200 -2.079 -11.506 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.908 -0.927 -11.778 1.00 0.00 H new ATOM 0 HG SER A 67 -7.933 -2.612 -13.371 1.00 0.00 H new ATOM 688 N SER A 68 -5.192 -2.577 -10.569 1.00 0.00 N ATOM 689 CA SER A 68 -3.770 -2.246 -10.538 1.00 0.00 C ATOM 690 C SER A 68 -3.439 -1.126 -11.529 1.00 0.00 C ATOM 691 O SER A 68 -2.602 -1.287 -12.419 1.00 0.00 O ATOM 692 CB SER A 68 -2.939 -3.488 -10.850 1.00 0.00 C ATOM 693 OG SER A 68 -3.203 -4.523 -9.916 1.00 0.00 O ATOM 0 H SER A 68 -5.407 -3.451 -11.048 1.00 0.00 H new ATOM 0 HA SER A 68 -3.525 -1.891 -9.537 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.164 -3.837 -11.858 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.879 -3.236 -10.829 1.00 0.00 H new ATOM 0 HG SER A 68 -2.913 -4.240 -9.024 1.00 0.00 H new ATOM 699 N LYS A 69 -4.112 0.002 -11.358 1.00 0.00 N ATOM 700 CA LYS A 69 -3.909 1.180 -12.185 1.00 0.00 C ATOM 701 C LYS A 69 -3.827 2.395 -11.277 1.00 0.00 C ATOM 702 O LYS A 69 -4.259 2.335 -10.129 1.00 0.00 O ATOM 703 CB LYS A 69 -5.062 1.339 -13.184 1.00 0.00 C ATOM 704 CG LYS A 69 -5.182 0.185 -14.169 1.00 0.00 C ATOM 705 CD LYS A 69 -3.938 0.066 -15.037 1.00 0.00 C ATOM 706 CE LYS A 69 -3.972 -1.187 -15.898 1.00 0.00 C ATOM 707 NZ LYS A 69 -2.759 -1.301 -16.749 1.00 0.00 N ATOM 0 H LYS A 69 -4.820 0.126 -10.635 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.985 1.077 -12.754 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.998 1.434 -12.633 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.924 2.266 -13.740 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.338 -0.746 -13.624 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.057 0.334 -14.802 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.855 0.945 -15.676 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.052 0.048 -14.403 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.052 -2.066 -15.259 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.860 -1.171 -16.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.817 -2.167 -17.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.696 -0.474 -17.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.914 -1.342 -16.145 1.00 0.00 H new ATOM 720 N GLN A 70 -3.265 3.487 -11.769 1.00 0.00 N ATOM 721 CA GLN A 70 -3.124 4.675 -10.947 1.00 0.00 C ATOM 722 C GLN A 70 -4.417 5.480 -10.979 1.00 0.00 C ATOM 723 O GLN A 70 -4.621 6.302 -11.873 1.00 0.00 O ATOM 724 CB GLN A 70 -1.946 5.533 -11.424 1.00 0.00 C ATOM 725 CG GLN A 70 -1.437 6.501 -10.366 1.00 0.00 C ATOM 726 CD GLN A 70 -1.694 7.965 -10.686 1.00 0.00 C ATOM 727 OE1 GLN A 70 -0.925 8.830 -10.281 1.00 0.00 O ATOM 728 NE2 GLN A 70 -2.770 8.260 -11.395 1.00 0.00 N ATOM 0 H GLN A 70 -2.904 3.575 -12.719 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.921 4.367 -9.921 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.130 4.879 -11.730 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -2.250 6.097 -12.306 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -1.908 6.261 -9.413 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -0.365 6.351 -10.238 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -3.389 7.516 -11.716 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -2.981 9.232 -11.621 1.00 0.00 H new ATOM 737 N TRP A 71 -5.291 5.224 -10.013 1.00 0.00 N ATOM 738 CA TRP A 71 -6.560 5.930 -9.925 1.00 0.00 C ATOM 739 C TRP A 71 -6.331 7.381 -9.514 1.00 0.00 C ATOM 740 O TRP A 71 -5.326 7.709 -8.881 1.00 0.00 O ATOM 741 CB TRP A 71 -7.511 5.229 -8.942 1.00 0.00 C ATOM 742 CG TRP A 71 -6.919 4.976 -7.586 1.00 0.00 C ATOM 743 CD1 TRP A 71 -6.825 5.864 -6.557 1.00 0.00 C ATOM 744 CD2 TRP A 71 -6.356 3.749 -7.110 1.00 0.00 C ATOM 745 NE1 TRP A 71 -6.233 5.269 -5.470 1.00 0.00 N ATOM 746 CE2 TRP A 71 -5.935 3.969 -5.784 1.00 0.00 C ATOM 747 CE3 TRP A 71 -6.161 2.486 -7.675 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -5.339 2.972 -5.017 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -5.568 1.498 -6.911 1.00 0.00 C ATOM 750 CH2 TRP A 71 -5.163 1.746 -5.596 1.00 0.00 C ATOM 0 H TRP A 71 -5.142 4.531 -9.279 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.028 5.919 -10.909 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.408 5.837 -8.826 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.824 4.278 -9.373 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -7.167 6.888 -6.591 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.046 5.721 -4.575 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -6.468 2.285 -8.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -5.027 3.160 -4.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.415 0.518 -7.337 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -4.702 0.953 -5.026 1.00 0.00 H new ATOM 761 N GLU A 72 -7.274 8.242 -9.866 1.00 0.00 N ATOM 762 CA GLU A 72 -7.114 9.678 -9.677 1.00 0.00 C ATOM 763 C GLU A 72 -7.533 10.109 -8.273 1.00 0.00 C ATOM 764 O GLU A 72 -8.089 11.193 -8.089 1.00 0.00 O ATOM 765 CB GLU A 72 -7.930 10.458 -10.718 1.00 0.00 C ATOM 766 CG GLU A 72 -7.683 10.035 -12.161 1.00 0.00 C ATOM 767 CD GLU A 72 -8.540 8.855 -12.588 1.00 0.00 C ATOM 768 OE1 GLU A 72 -9.737 9.063 -12.868 1.00 0.00 O ATOM 769 OE2 GLU A 72 -8.026 7.717 -12.649 1.00 0.00 O ATOM 0 H GLU A 72 -8.163 7.970 -10.286 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.055 9.904 -9.806 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.990 10.338 -10.494 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.701 11.519 -10.620 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.882 10.879 -12.821 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.631 9.776 -12.283 1.00 0.00 H new ATOM 776 N ASP A 73 -7.253 9.268 -7.285 1.00 0.00 N ATOM 777 CA ASP A 73 -7.581 9.582 -5.895 1.00 0.00 C ATOM 778 C ASP A 73 -6.424 9.215 -4.962 1.00 0.00 C ATOM 779 O ASP A 73 -6.571 8.368 -4.080 1.00 0.00 O ATOM 780 CB ASP A 73 -8.852 8.841 -5.451 1.00 0.00 C ATOM 781 CG ASP A 73 -10.114 9.351 -6.119 1.00 0.00 C ATOM 782 OD1 ASP A 73 -10.635 10.405 -5.697 1.00 0.00 O ATOM 783 OD2 ASP A 73 -10.613 8.687 -7.053 1.00 0.00 O ATOM 0 H ASP A 73 -6.800 8.364 -7.418 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.756 10.656 -5.835 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.739 7.779 -5.669 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.959 8.935 -4.370 1.00 0.00 H new ATOM 788 N PRO A 74 -5.250 9.850 -5.130 1.00 0.00 N ATOM 789 CA PRO A 74 -4.066 9.540 -4.338 1.00 0.00 C ATOM 790 C PRO A 74 -4.047 10.269 -2.997 1.00 0.00 C ATOM 791 O PRO A 74 -3.416 9.816 -2.044 1.00 0.00 O ATOM 792 CB PRO A 74 -2.901 10.022 -5.224 1.00 0.00 C ATOM 793 CG PRO A 74 -3.526 10.646 -6.438 1.00 0.00 C ATOM 794 CD PRO A 74 -4.965 10.908 -6.097 1.00 0.00 C ATOM 0 HA PRO A 74 -4.020 8.481 -4.085 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.280 10.743 -4.692 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.255 9.190 -5.503 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.016 11.572 -6.703 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.447 9.982 -7.299 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.108 11.900 -5.669 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.610 10.843 -6.974 1.00 0.00 H new ATOM 802 N SER A 75 -4.768 11.383 -2.926 1.00 0.00 N ATOM 803 CA SER A 75 -4.739 12.270 -1.765 1.00 0.00 C ATOM 804 C SER A 75 -5.167 11.563 -0.476 1.00 0.00 C ATOM 805 O SER A 75 -4.837 12.011 0.622 1.00 0.00 O ATOM 806 CB SER A 75 -5.646 13.467 -2.026 1.00 0.00 C ATOM 807 OG SER A 75 -5.453 13.959 -3.340 1.00 0.00 O ATOM 0 H SER A 75 -5.390 11.698 -3.671 1.00 0.00 H new ATOM 0 HA SER A 75 -3.709 12.596 -1.622 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.688 13.178 -1.889 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.436 14.254 -1.302 1.00 0.00 H new ATOM 0 HG SER A 75 -6.044 14.726 -3.492 1.00 0.00 H new ATOM 813 N GLN A 76 -5.882 10.452 -0.609 1.00 0.00 N ATOM 814 CA GLN A 76 -6.363 9.707 0.548 1.00 0.00 C ATOM 815 C GLN A 76 -5.212 9.022 1.286 1.00 0.00 C ATOM 816 O GLN A 76 -5.363 8.601 2.430 1.00 0.00 O ATOM 817 CB GLN A 76 -7.405 8.670 0.116 1.00 0.00 C ATOM 818 CG GLN A 76 -8.663 9.284 -0.480 1.00 0.00 C ATOM 819 CD GLN A 76 -9.415 10.167 0.502 1.00 0.00 C ATOM 820 OE1 GLN A 76 -10.042 11.153 0.115 1.00 0.00 O ATOM 821 NE2 GLN A 76 -9.367 9.817 1.780 1.00 0.00 N ATOM 0 H GLN A 76 -6.142 10.047 -1.508 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.828 10.416 1.233 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.956 7.999 -0.616 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.680 8.063 0.978 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.393 9.873 -1.357 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.323 8.487 -0.822 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.837 8.993 2.064 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.860 10.372 2.480 1.00 0.00 H new ATOM 830 N ALA A 77 -4.059 8.929 0.633 1.00 0.00 N ATOM 831 CA ALA A 77 -2.902 8.263 1.218 1.00 0.00 C ATOM 832 C ALA A 77 -1.916 9.271 1.799 1.00 0.00 C ATOM 833 O ALA A 77 -0.788 8.918 2.148 1.00 0.00 O ATOM 834 CB ALA A 77 -2.211 7.395 0.180 1.00 0.00 C ATOM 0 H ALA A 77 -3.901 9.306 -0.301 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.258 7.631 2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.349 6.904 0.632 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.908 6.641 -0.186 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.880 8.017 -0.652 1.00 0.00 H new ATOM 840 N SER A 78 -2.353 10.519 1.916 1.00 0.00 N ATOM 841 CA SER A 78 -1.502 11.595 2.421 1.00 0.00 C ATOM 842 C SER A 78 -0.960 11.286 3.819 1.00 0.00 C ATOM 843 O SER A 78 0.142 11.706 4.169 1.00 0.00 O ATOM 844 CB SER A 78 -2.284 12.907 2.433 1.00 0.00 C ATOM 845 OG SER A 78 -3.588 12.712 2.954 1.00 0.00 O ATOM 0 H SER A 78 -3.297 10.814 1.667 1.00 0.00 H new ATOM 0 HA SER A 78 -0.645 11.686 1.754 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.754 13.646 3.034 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.348 13.307 1.421 1.00 0.00 H new ATOM 0 HG SER A 78 -4.206 12.510 2.221 1.00 0.00 H new ATOM 851 N LYS A 79 -1.736 10.545 4.605 1.00 0.00 N ATOM 852 CA LYS A 79 -1.321 10.158 5.949 1.00 0.00 C ATOM 853 C LYS A 79 -0.063 9.296 5.908 1.00 0.00 C ATOM 854 O LYS A 79 0.858 9.500 6.695 1.00 0.00 O ATOM 855 CB LYS A 79 -2.452 9.408 6.656 1.00 0.00 C ATOM 856 CG LYS A 79 -3.714 10.239 6.865 1.00 0.00 C ATOM 857 CD LYS A 79 -3.674 11.068 8.149 1.00 0.00 C ATOM 858 CE LYS A 79 -2.547 12.090 8.157 1.00 0.00 C ATOM 859 NZ LYS A 79 -2.584 12.943 9.376 1.00 0.00 N ATOM 0 H LYS A 79 -2.657 10.200 4.333 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.092 11.066 6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.705 8.522 6.074 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.093 9.061 7.625 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.850 10.905 6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.579 9.576 6.893 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.626 11.583 8.273 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.559 10.401 9.003 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.588 11.574 8.103 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.621 12.720 7.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.801 13.627 9.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.489 13.454 9.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.488 12.345 10.221 1.00 0.00 H new ATOM 872 N VAL A 80 -0.014 8.354 4.970 1.00 0.00 N ATOM 873 CA VAL A 80 1.152 7.490 4.823 1.00 0.00 C ATOM 874 C VAL A 80 2.364 8.320 4.416 1.00 0.00 C ATOM 875 O VAL A 80 3.458 8.151 4.957 1.00 0.00 O ATOM 876 CB VAL A 80 0.918 6.368 3.783 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.175 5.520 3.612 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.263 5.491 4.184 1.00 0.00 C ATOM 0 H VAL A 80 -0.764 8.171 4.304 1.00 0.00 H new ATOM 0 HA VAL A 80 1.331 7.016 5.788 1.00 0.00 H new ATOM 0 HB VAL A 80 0.685 6.839 2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.989 4.737 2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.996 6.151 3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.440 5.065 4.567 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.407 4.710 3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.064 5.034 5.153 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.164 6.101 4.249 1.00 0.00 H new ATOM 888 N CYS A 81 2.153 9.233 3.475 1.00 0.00 N ATOM 889 CA CYS A 81 3.207 10.139 3.041 1.00 0.00 C ATOM 890 C CYS A 81 3.715 10.962 4.221 1.00 0.00 C ATOM 891 O CYS A 81 4.919 11.152 4.389 1.00 0.00 O ATOM 892 CB CYS A 81 2.693 11.072 1.942 1.00 0.00 C ATOM 893 SG CYS A 81 1.919 10.213 0.534 1.00 0.00 S ATOM 0 H CYS A 81 1.261 9.365 2.998 1.00 0.00 H new ATOM 0 HA CYS A 81 4.028 9.544 2.642 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.968 11.761 2.376 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.524 11.674 1.574 1.00 0.00 H new ATOM 898 N GLN A 82 2.791 11.427 5.053 1.00 0.00 N ATOM 899 CA GLN A 82 3.140 12.251 6.200 1.00 0.00 C ATOM 900 C GLN A 82 3.921 11.442 7.235 1.00 0.00 C ATOM 901 O GLN A 82 4.818 11.969 7.894 1.00 0.00 O ATOM 902 CB GLN A 82 1.882 12.859 6.822 1.00 0.00 C ATOM 903 CG GLN A 82 2.170 13.861 7.930 1.00 0.00 C ATOM 904 CD GLN A 82 3.101 14.976 7.490 1.00 0.00 C ATOM 905 OE1 GLN A 82 2.661 16.012 6.993 1.00 0.00 O ATOM 906 NE2 GLN A 82 4.396 14.775 7.674 1.00 0.00 N ATOM 0 H GLN A 82 1.792 11.246 4.953 1.00 0.00 H new ATOM 0 HA GLN A 82 3.781 13.063 5.856 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.303 13.351 6.041 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.261 12.057 7.222 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.231 14.293 8.275 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.612 13.339 8.779 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.723 13.903 8.089 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.067 15.493 7.400 1.00 0.00 H new ATOM 915 N ARG A 83 3.596 10.156 7.359 1.00 0.00 N ATOM 916 CA ARG A 83 4.322 9.268 8.266 1.00 0.00 C ATOM 917 C ARG A 83 5.792 9.186 7.861 1.00 0.00 C ATOM 918 O ARG A 83 6.674 9.006 8.700 1.00 0.00 O ATOM 919 CB ARG A 83 3.722 7.853 8.269 1.00 0.00 C ATOM 920 CG ARG A 83 2.283 7.757 8.765 1.00 0.00 C ATOM 921 CD ARG A 83 2.125 8.258 10.194 1.00 0.00 C ATOM 922 NE ARG A 83 0.833 7.872 10.763 1.00 0.00 N ATOM 923 CZ ARG A 83 -0.108 8.740 11.122 1.00 0.00 C ATOM 924 NH1 ARG A 83 0.069 10.036 10.918 1.00 0.00 N ATOM 925 NH2 ARG A 83 -1.239 8.318 11.667 1.00 0.00 N ATOM 0 H ARG A 83 2.838 9.707 6.845 1.00 0.00 H new ATOM 0 HA ARG A 83 4.236 9.685 9.269 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.767 7.455 7.255 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.347 7.212 8.891 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.636 8.336 8.107 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.951 6.720 8.708 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.929 7.857 10.811 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.221 9.344 10.212 1.00 0.00 H new ATOM 0 HE ARG A 83 0.643 6.878 10.892 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.929 10.371 10.484 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.655 10.699 11.195 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.393 7.321 11.814 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.956 8.991 11.940 1.00 0.00 H new ATOM 938 N LEU A 84 6.043 9.327 6.566 1.00 0.00 N ATOM 939 CA LEU A 84 7.398 9.267 6.028 1.00 0.00 C ATOM 940 C LEU A 84 8.008 10.664 5.905 1.00 0.00 C ATOM 941 O LEU A 84 9.059 10.838 5.280 1.00 0.00 O ATOM 942 CB LEU A 84 7.389 8.584 4.661 1.00 0.00 C ATOM 943 CG LEU A 84 6.862 7.146 4.658 1.00 0.00 C ATOM 944 CD1 LEU A 84 6.757 6.621 3.237 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.756 6.242 5.491 1.00 0.00 C ATOM 0 H LEU A 84 5.321 9.485 5.863 1.00 0.00 H new ATOM 0 HA LEU A 84 8.009 8.688 6.720 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.782 9.179 3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.405 8.583 4.265 1.00 0.00 H new ATOM 0 HG LEU A 84 5.867 7.148 5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.381 5.598 3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.073 7.250 2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.741 6.638 2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.362 5.226 5.474 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.765 6.247 5.078 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.783 6.604 6.519 1.00 0.00 H new ATOM 957 N ASN A 85 7.344 11.650 6.513 1.00 0.00 N ATOM 958 CA ASN A 85 7.789 13.048 6.476 1.00 0.00 C ATOM 959 C ASN A 85 7.793 13.583 5.050 1.00 0.00 C ATOM 960 O ASN A 85 8.711 14.292 4.635 1.00 0.00 O ATOM 961 CB ASN A 85 9.177 13.208 7.106 1.00 0.00 C ATOM 962 CG ASN A 85 9.181 12.945 8.599 1.00 0.00 C ATOM 963 OD1 ASN A 85 8.190 13.192 9.292 1.00 0.00 O ATOM 964 ND2 ASN A 85 10.298 12.447 9.106 1.00 0.00 N ATOM 0 H ASN A 85 6.485 11.504 7.044 1.00 0.00 H new ATOM 0 HA ASN A 85 7.079 13.631 7.063 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.872 12.524 6.620 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.541 14.218 6.919 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.362 12.253 10.105 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.094 12.257 8.497 1.00 0.00 H new ATOM 971 N CYS A 86 6.765 13.227 4.301 1.00 0.00 N ATOM 972 CA CYS A 86 6.614 13.690 2.935 1.00 0.00 C ATOM 973 C CYS A 86 5.397 14.595 2.816 1.00 0.00 C ATOM 974 O CYS A 86 4.606 14.711 3.753 1.00 0.00 O ATOM 975 CB CYS A 86 6.471 12.494 1.989 1.00 0.00 C ATOM 976 SG CYS A 86 7.862 11.321 2.058 1.00 0.00 S ATOM 0 H CYS A 86 6.016 12.613 4.621 1.00 0.00 H new ATOM 0 HA CYS A 86 7.502 14.258 2.658 1.00 0.00 H new ATOM 0 HB2 CYS A 86 5.550 11.963 2.229 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.370 12.862 0.968 1.00 0.00 H new ATOM 981 N GLY A 87 5.254 15.236 1.668 1.00 0.00 N ATOM 982 CA GLY A 87 4.115 16.100 1.435 1.00 0.00 C ATOM 983 C GLY A 87 2.954 15.361 0.799 1.00 0.00 C ATOM 984 O GLY A 87 2.602 14.257 1.224 1.00 0.00 O ATOM 0 H GLY A 87 5.909 15.174 0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.792 16.535 2.381 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.414 16.926 0.790 1.00 0.00 H new ATOM 988 N ASP A 88 2.369 15.960 -0.227 1.00 0.00 N ATOM 989 CA ASP A 88 1.217 15.377 -0.912 1.00 0.00 C ATOM 990 C ASP A 88 1.606 14.120 -1.684 1.00 0.00 C ATOM 991 O ASP A 88 2.756 13.969 -2.114 1.00 0.00 O ATOM 992 CB ASP A 88 0.594 16.384 -1.887 1.00 0.00 C ATOM 993 CG ASP A 88 0.021 17.605 -1.202 1.00 0.00 C ATOM 994 OD1 ASP A 88 -1.151 17.552 -0.769 1.00 0.00 O ATOM 995 OD2 ASP A 88 0.731 18.626 -1.108 1.00 0.00 O ATOM 0 H ASP A 88 2.673 16.856 -0.608 1.00 0.00 H new ATOM 0 HA ASP A 88 0.490 15.113 -0.144 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.351 16.700 -2.605 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.195 15.890 -2.453 1.00 0.00 H new ATOM 1000 N PRO A 89 0.646 13.199 -1.864 1.00 0.00 N ATOM 1001 CA PRO A 89 0.826 12.014 -2.688 1.00 0.00 C ATOM 1002 C PRO A 89 0.653 12.334 -4.170 1.00 0.00 C ATOM 1003 O PRO A 89 -0.418 12.762 -4.610 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.273 11.052 -2.214 1.00 0.00 C ATOM 1005 CG PRO A 89 -1.064 11.783 -1.175 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.693 13.235 -1.272 1.00 0.00 C ATOM 0 HA PRO A 89 1.827 11.596 -2.587 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.910 10.752 -3.046 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.161 10.142 -1.801 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.133 11.648 -1.340 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.843 11.395 -0.180 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.394 13.789 -1.896 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.688 13.716 -0.294 1.00 0.00 H new ATOM 1014 N LEU A 90 1.713 12.133 -4.931 1.00 0.00 N ATOM 1015 CA LEU A 90 1.712 12.427 -6.354 1.00 0.00 C ATOM 1016 C LEU A 90 1.008 11.322 -7.129 1.00 0.00 C ATOM 1017 O LEU A 90 0.148 11.585 -7.967 1.00 0.00 O ATOM 1018 CB LEU A 90 3.150 12.569 -6.858 1.00 0.00 C ATOM 1019 CG LEU A 90 3.964 13.692 -6.213 1.00 0.00 C ATOM 1020 CD1 LEU A 90 5.415 13.630 -6.671 1.00 0.00 C ATOM 1021 CD2 LEU A 90 3.359 15.049 -6.540 1.00 0.00 C ATOM 0 H LEU A 90 2.597 11.762 -4.582 1.00 0.00 H new ATOM 0 HA LEU A 90 1.177 13.363 -6.512 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.670 11.625 -6.692 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.125 12.734 -7.935 1.00 0.00 H new ATOM 0 HG LEU A 90 3.937 13.557 -5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.979 14.436 -6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.846 12.671 -6.384 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.459 13.738 -7.755 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.953 15.834 -6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.353 15.194 -7.620 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.337 15.092 -6.162 1.00 0.00 H new ATOM 1033 N SER A 91 1.367 10.087 -6.825 1.00 0.00 N ATOM 1034 CA SER A 91 0.852 8.946 -7.558 1.00 0.00 C ATOM 1035 C SER A 91 0.501 7.811 -6.603 1.00 0.00 C ATOM 1036 O SER A 91 1.192 7.591 -5.606 1.00 0.00 O ATOM 1037 CB SER A 91 1.887 8.470 -8.579 1.00 0.00 C ATOM 1038 OG SER A 91 2.390 9.556 -9.340 1.00 0.00 O ATOM 0 H SER A 91 2.015 9.849 -6.074 1.00 0.00 H new ATOM 0 HA SER A 91 -0.054 9.250 -8.083 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.708 7.972 -8.064 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.435 7.734 -9.244 1.00 0.00 H new ATOM 0 HG SER A 91 3.051 9.226 -9.984 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.570 7.101 -6.914 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.022 5.982 -6.099 1.00 0.00 C ATOM 1046 C LEU A 92 -1.566 4.893 -7.014 1.00 0.00 C ATOM 1047 O LEU A 92 -2.623 5.058 -7.622 1.00 0.00 O ATOM 1048 CB LEU A 92 -2.123 6.441 -5.132 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.191 5.722 -3.773 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -3.380 6.224 -2.963 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -2.281 4.213 -3.941 1.00 0.00 C ATOM 0 H LEU A 92 -1.149 7.281 -7.734 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.185 5.596 -5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.991 7.507 -4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.085 6.320 -5.630 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.269 5.949 -3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.413 5.705 -2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.277 7.296 -2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.302 6.031 -3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.327 3.740 -2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.178 3.963 -4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.402 3.853 -4.476 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.835 3.799 -7.127 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.281 2.707 -7.968 1.00 0.00 C ATOM 1065 C GLY A 93 -0.300 1.556 -7.973 1.00 0.00 C ATOM 1066 O GLY A 93 0.158 1.136 -6.914 1.00 0.00 O ATOM 0 H GLY A 93 0.056 3.645 -6.655 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.251 2.354 -7.619 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.421 3.068 -8.987 1.00 0.00 H new ATOM 1070 N PRO A 94 0.043 1.020 -9.152 1.00 0.00 N ATOM 1071 CA PRO A 94 0.992 -0.082 -9.262 1.00 0.00 C ATOM 1072 C PRO A 94 2.440 0.404 -9.285 1.00 0.00 C ATOM 1073 O PRO A 94 2.748 1.433 -9.888 1.00 0.00 O ATOM 1074 CB PRO A 94 0.617 -0.711 -10.603 1.00 0.00 C ATOM 1075 CG PRO A 94 0.114 0.425 -11.431 1.00 0.00 C ATOM 1076 CD PRO A 94 -0.473 1.436 -10.472 1.00 0.00 C ATOM 0 HA PRO A 94 0.938 -0.767 -8.416 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.478 -1.190 -11.070 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.147 -1.479 -10.480 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.923 0.868 -12.013 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -0.639 0.083 -12.141 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -0.160 2.450 -10.721 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -1.563 1.423 -10.496 1.00 0.00 H new ATOM 1084 N PHE A 95 3.324 -0.325 -8.622 1.00 0.00 N ATOM 1085 CA PHE A 95 4.737 0.010 -8.642 1.00 0.00 C ATOM 1086 C PHE A 95 5.540 -1.148 -9.220 1.00 0.00 C ATOM 1087 O PHE A 95 6.051 -1.993 -8.481 1.00 0.00 O ATOM 1088 CB PHE A 95 5.237 0.359 -7.237 1.00 0.00 C ATOM 1089 CG PHE A 95 6.619 0.954 -7.219 1.00 0.00 C ATOM 1090 CD1 PHE A 95 6.810 2.297 -7.507 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.726 0.176 -6.916 1.00 0.00 C ATOM 1092 CE1 PHE A 95 8.076 2.850 -7.495 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.995 0.724 -6.902 1.00 0.00 C ATOM 1094 CZ PHE A 95 9.169 2.063 -7.191 1.00 0.00 C ATOM 0 H PHE A 95 3.089 -1.148 -8.067 1.00 0.00 H new ATOM 0 HA PHE A 95 4.874 0.886 -9.276 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.542 1.062 -6.777 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.231 -0.542 -6.624 1.00 0.00 H new ATOM 0 HD1 PHE A 95 5.959 2.918 -7.744 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.595 -0.872 -6.688 1.00 0.00 H new ATOM 0 HE1 PHE A 95 8.211 3.897 -7.723 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.849 0.106 -6.666 1.00 0.00 H new ATOM 0 HZ PHE A 95 10.159 2.494 -7.179 1.00 0.00 H new ATOM 1104 N LEU A 96 5.611 -1.191 -10.551 1.00 0.00 N ATOM 1105 CA LEU A 96 6.405 -2.194 -11.265 1.00 0.00 C ATOM 1106 C LEU A 96 5.883 -3.608 -11.005 1.00 0.00 C ATOM 1107 O LEU A 96 4.779 -3.801 -10.488 1.00 0.00 O ATOM 1108 CB LEU A 96 7.884 -2.096 -10.855 1.00 0.00 C ATOM 1109 CG LEU A 96 8.557 -0.739 -11.103 1.00 0.00 C ATOM 1110 CD1 LEU A 96 9.989 -0.754 -10.588 1.00 0.00 C ATOM 1111 CD2 LEU A 96 8.527 -0.375 -12.584 1.00 0.00 C ATOM 0 H LEU A 96 5.123 -0.536 -11.162 1.00 0.00 H new ATOM 0 HA LEU A 96 6.314 -1.991 -12.332 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.964 -2.331 -9.794 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.442 -2.861 -11.394 1.00 0.00 H new ATOM 0 HG LEU A 96 7.997 0.021 -10.557 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.452 0.216 -10.772 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.989 -0.959 -9.517 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.554 -1.529 -11.106 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.010 0.591 -12.731 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.056 -1.137 -13.157 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.493 -0.319 -12.924 1.00 0.00 H new ATOM 1123 N LYS A 97 6.677 -4.593 -11.397 1.00 0.00 N ATOM 1124 CA LYS A 97 6.326 -5.990 -11.203 1.00 0.00 C ATOM 1125 C LYS A 97 7.284 -6.608 -10.198 1.00 0.00 C ATOM 1126 O LYS A 97 8.483 -6.699 -10.453 1.00 0.00 O ATOM 1127 CB LYS A 97 6.399 -6.753 -12.531 1.00 0.00 C ATOM 1128 CG LYS A 97 5.716 -6.041 -13.691 1.00 0.00 C ATOM 1129 CD LYS A 97 5.778 -6.865 -14.966 1.00 0.00 C ATOM 1130 CE LYS A 97 5.288 -6.075 -16.169 1.00 0.00 C ATOM 1131 NZ LYS A 97 3.904 -5.564 -15.980 1.00 0.00 N ATOM 0 H LYS A 97 7.577 -4.447 -11.855 1.00 0.00 H new ATOM 0 HA LYS A 97 5.305 -6.053 -10.827 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.446 -6.920 -12.786 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.942 -7.734 -12.400 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.675 -5.843 -13.435 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.193 -5.075 -13.858 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.803 -7.192 -15.138 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.172 -7.763 -14.849 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.961 -5.237 -16.350 1.00 0.00 H new ATOM 0 HE3 LYS A 97 5.322 -6.708 -17.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.314 -5.854 -16.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.507 -5.955 -15.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.922 -4.526 -15.920 1.00 0.00 H new ATOM 1144 N THR A 98 6.762 -7.020 -9.056 1.00 0.00 N ATOM 1145 CA THR A 98 7.603 -7.505 -7.975 1.00 0.00 C ATOM 1146 C THR A 98 7.693 -9.028 -7.979 1.00 0.00 C ATOM 1147 O THR A 98 8.788 -9.579 -7.866 1.00 0.00 O ATOM 1148 CB THR A 98 7.066 -7.021 -6.615 1.00 0.00 C ATOM 1149 OG1 THR A 98 6.788 -5.615 -6.683 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.070 -7.287 -5.500 1.00 0.00 C ATOM 0 H THR A 98 5.762 -7.029 -8.853 1.00 0.00 H new ATOM 0 HA THR A 98 8.603 -7.102 -8.132 1.00 0.00 H new ATOM 0 HB THR A 98 6.153 -7.572 -6.392 1.00 0.00 H new ATOM 0 HG1 THR A 98 5.839 -5.460 -6.494 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.663 -6.935 -4.552 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.267 -8.357 -5.435 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.000 -6.760 -5.714 1.00 0.00 H new ATOM 1158 N TYR A 99 6.549 -9.692 -8.139 1.00 0.00 N ATOM 1159 CA TYR A 99 6.481 -11.156 -8.100 1.00 0.00 C ATOM 1160 C TYR A 99 7.075 -11.699 -6.802 1.00 0.00 C ATOM 1161 O TYR A 99 8.254 -12.060 -6.743 1.00 0.00 O ATOM 1162 CB TYR A 99 7.205 -11.772 -9.303 1.00 0.00 C ATOM 1163 CG TYR A 99 6.552 -11.483 -10.636 1.00 0.00 C ATOM 1164 CD1 TYR A 99 5.421 -12.183 -11.038 1.00 0.00 C ATOM 1165 CD2 TYR A 99 7.062 -10.515 -11.491 1.00 0.00 C ATOM 1166 CE1 TYR A 99 4.819 -11.927 -12.253 1.00 0.00 C ATOM 1167 CE2 TYR A 99 6.464 -10.253 -12.710 1.00 0.00 C ATOM 1168 CZ TYR A 99 5.343 -10.962 -13.084 1.00 0.00 C ATOM 1169 OH TYR A 99 4.742 -10.707 -14.296 1.00 0.00 O ATOM 0 H TYR A 99 5.650 -9.237 -8.298 1.00 0.00 H new ATOM 0 HA TYR A 99 5.428 -11.436 -8.145 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.229 -11.400 -9.325 1.00 0.00 H new ATOM 0 HB3 TYR A 99 7.261 -12.852 -9.165 1.00 0.00 H new ATOM 0 HD1 TYR A 99 5.006 -12.940 -10.389 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.940 -9.958 -11.199 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.941 -12.481 -12.551 1.00 0.00 H new ATOM 0 HE2 TYR A 99 6.873 -9.498 -13.365 1.00 0.00 H new ATOM 0 HH TYR A 99 5.233 -9.998 -14.762 1.00 0.00 H new ATOM 1179 N THR A 100 6.263 -11.736 -5.761 1.00 0.00 N ATOM 1180 CA THR A 100 6.688 -12.246 -4.467 1.00 0.00 C ATOM 1181 C THR A 100 5.484 -12.787 -3.697 1.00 0.00 C ATOM 1182 O THR A 100 4.964 -12.129 -2.790 1.00 0.00 O ATOM 1183 CB THR A 100 7.402 -11.157 -3.630 1.00 0.00 C ATOM 1184 OG1 THR A 100 8.458 -10.563 -4.394 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.982 -11.742 -2.349 1.00 0.00 C ATOM 0 H THR A 100 5.295 -11.416 -5.786 1.00 0.00 H new ATOM 0 HA THR A 100 7.400 -13.052 -4.645 1.00 0.00 H new ATOM 0 HB THR A 100 6.663 -10.400 -3.368 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.903 -9.874 -3.857 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.478 -10.955 -1.781 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.180 -12.172 -1.749 1.00 0.00 H new ATOM 0 HG23 THR A 100 8.705 -12.519 -2.598 1.00 0.00 H new ATOM 1193 N PRO A 101 5.029 -14.001 -4.047 1.00 0.00 N ATOM 1194 CA PRO A 101 3.849 -14.621 -3.433 1.00 0.00 C ATOM 1195 C PRO A 101 4.114 -15.131 -2.018 1.00 0.00 C ATOM 1196 O PRO A 101 3.559 -16.142 -1.590 1.00 0.00 O ATOM 1197 CB PRO A 101 3.533 -15.781 -4.372 1.00 0.00 C ATOM 1198 CG PRO A 101 4.843 -16.145 -4.980 1.00 0.00 C ATOM 1199 CD PRO A 101 5.629 -14.867 -5.081 1.00 0.00 C ATOM 0 HA PRO A 101 3.032 -13.909 -3.319 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.101 -16.622 -3.830 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.811 -15.488 -5.134 1.00 0.00 H new ATOM 0 HG2 PRO A 101 5.367 -16.877 -4.365 1.00 0.00 H new ATOM 0 HG3 PRO A 101 4.704 -16.595 -5.963 1.00 0.00 H new ATOM 0 HD2 PRO A 101 6.690 -15.034 -4.896 1.00 0.00 H new ATOM 0 HD3 PRO A 101 5.545 -14.423 -6.073 1.00 0.00 H new ATOM 1207 N GLN A 102 4.974 -14.429 -1.301 1.00 0.00 N ATOM 1208 CA GLN A 102 5.260 -14.747 0.089 1.00 0.00 C ATOM 1209 C GLN A 102 4.712 -13.659 0.999 1.00 0.00 C ATOM 1210 O GLN A 102 4.206 -13.942 2.084 1.00 0.00 O ATOM 1211 CB GLN A 102 6.767 -14.893 0.339 1.00 0.00 C ATOM 1212 CG GLN A 102 7.347 -16.263 0.010 1.00 0.00 C ATOM 1213 CD GLN A 102 7.375 -16.570 -1.471 1.00 0.00 C ATOM 1214 OE1 GLN A 102 8.319 -16.203 -2.169 1.00 0.00 O ATOM 1215 NE2 GLN A 102 6.357 -17.263 -1.953 1.00 0.00 N ATOM 0 H GLN A 102 5.491 -13.627 -1.662 1.00 0.00 H new ATOM 0 HA GLN A 102 4.778 -15.699 0.310 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.292 -14.142 -0.251 1.00 0.00 H new ATOM 0 HB3 GLN A 102 6.969 -14.672 1.387 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.362 -16.323 0.404 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.761 -17.028 0.520 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.595 -17.546 -1.336 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.333 -17.514 -2.941 1.00 0.00 H new ATOM 1224 N SER A 103 4.804 -12.417 0.547 1.00 0.00 N ATOM 1225 CA SER A 103 4.462 -11.281 1.384 1.00 0.00 C ATOM 1226 C SER A 103 3.276 -10.490 0.824 1.00 0.00 C ATOM 1227 O SER A 103 2.673 -9.690 1.538 1.00 0.00 O ATOM 1228 CB SER A 103 5.684 -10.372 1.518 1.00 0.00 C ATOM 1229 OG SER A 103 6.837 -11.118 1.881 1.00 0.00 O ATOM 0 H SER A 103 5.112 -12.172 -0.394 1.00 0.00 H new ATOM 0 HA SER A 103 4.164 -11.657 2.363 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.863 -9.856 0.575 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.491 -9.606 2.269 1.00 0.00 H new ATOM 0 HG SER A 103 7.606 -10.515 1.959 1.00 0.00 H new ATOM 1235 N SER A 104 2.938 -10.717 -0.439 1.00 0.00 N ATOM 1236 CA SER A 104 1.888 -9.945 -1.098 1.00 0.00 C ATOM 1237 C SER A 104 0.493 -10.338 -0.595 1.00 0.00 C ATOM 1238 O SER A 104 0.183 -11.524 -0.452 1.00 0.00 O ATOM 1239 CB SER A 104 1.990 -10.143 -2.614 1.00 0.00 C ATOM 1240 OG SER A 104 2.097 -11.522 -2.941 1.00 0.00 O ATOM 0 H SER A 104 3.373 -11.427 -1.028 1.00 0.00 H new ATOM 0 HA SER A 104 2.031 -8.892 -0.856 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.112 -9.717 -3.100 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.858 -9.606 -2.997 1.00 0.00 H new ATOM 0 HG SER A 104 3.042 -11.782 -2.958 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.339 -9.338 -0.304 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.708 -9.583 0.144 1.00 0.00 C ATOM 1248 C ILE A 105 -2.694 -8.661 -0.571 1.00 0.00 C ATOM 1249 O ILE A 105 -2.314 -7.628 -1.125 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.879 -9.386 1.672 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.524 -7.948 2.074 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.042 -10.397 2.449 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.770 -7.637 3.536 1.00 0.00 C ATOM 0 H ILE A 105 -0.088 -8.352 -0.371 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.918 -10.624 -0.101 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.925 -9.559 1.924 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.473 -7.767 1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.106 -7.257 1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.179 -10.238 3.519 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.358 -11.407 2.189 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.010 -10.269 2.195 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.494 -6.602 3.739 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.825 -7.783 3.767 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.168 -8.301 4.156 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.959 -9.052 -0.546 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.047 -8.245 -1.083 1.00 0.00 C ATOM 1267 C ILE A 106 -6.104 -8.060 -0.002 1.00 0.00 C ATOM 1268 O ILE A 106 -6.501 -9.024 0.653 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.671 -8.893 -2.346 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -4.770 -8.649 -3.560 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.080 -8.368 -2.606 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.306 -9.232 -4.853 1.00 0.00 C ATOM 0 H ILE A 106 -4.262 -9.942 -0.151 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.648 -7.276 -1.384 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.750 -9.966 -2.173 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.632 -7.575 -3.687 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.787 -9.075 -3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.487 -8.844 -3.499 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.717 -8.596 -1.751 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.045 -7.289 -2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.611 -9.017 -5.665 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.417 -10.311 -4.747 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.276 -8.788 -5.078 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.548 -6.832 0.211 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.448 -6.557 1.315 1.00 0.00 C ATOM 1286 C CYS A 107 -8.858 -6.268 0.811 1.00 0.00 C ATOM 1287 O CYS A 107 -9.052 -5.849 -0.333 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.924 -5.392 2.156 1.00 0.00 C ATOM 1289 SG CYS A 107 -7.451 -5.457 3.898 1.00 0.00 S ATOM 0 H CYS A 107 -6.303 -6.021 -0.358 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.493 -7.445 1.946 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.835 -5.386 2.114 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.265 -4.455 1.716 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.840 -6.503 1.670 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.240 -6.349 1.308 1.00 0.00 C ATOM 1296 C TYR A 108 -11.941 -5.457 2.331 1.00 0.00 C ATOM 1297 O TYR A 108 -11.351 -5.099 3.349 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.928 -7.722 1.255 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.168 -8.769 0.463 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.187 -8.772 -0.925 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.424 -9.751 1.110 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -10.490 -9.723 -1.647 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -9.722 -10.702 0.395 1.00 0.00 C ATOM 1304 CZ TYR A 108 -9.757 -10.685 -0.982 1.00 0.00 C ATOM 1305 OH TYR A 108 -9.051 -11.626 -1.700 1.00 0.00 O ATOM 0 H TYR A 108 -9.689 -6.804 2.633 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.302 -5.886 0.323 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.069 -8.085 2.273 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.920 -7.602 0.819 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.756 -8.019 -1.450 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.395 -9.770 2.189 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -10.519 -9.713 -2.727 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.148 -11.456 0.914 1.00 0.00 H new ATOM 0 HH TYR A 108 -8.588 -12.229 -1.082 1.00 0.00 H new ATOM 1315 N GLY A 109 -13.188 -5.093 2.061 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.949 -4.315 3.022 1.00 0.00 C ATOM 1317 C GLY A 109 -14.195 -2.892 2.574 1.00 0.00 C ATOM 1318 O GLY A 109 -15.255 -2.575 2.032 1.00 0.00 O ATOM 0 H GLY A 109 -13.685 -5.320 1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.907 -4.804 3.199 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.417 -4.303 3.973 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.218 -2.026 2.804 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.358 -0.618 2.475 1.00 0.00 C ATOM 1324 C GLN A 110 -11.990 0.016 2.243 1.00 0.00 C ATOM 1325 O GLN A 110 -11.030 -0.288 2.952 1.00 0.00 O ATOM 1326 CB GLN A 110 -14.091 0.108 3.608 1.00 0.00 C ATOM 1327 CG GLN A 110 -14.472 1.540 3.268 1.00 0.00 C ATOM 1328 CD GLN A 110 -15.395 1.634 2.064 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -15.377 2.621 1.327 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -16.208 0.610 1.849 1.00 0.00 N ATOM 0 H GLN A 110 -12.320 -2.276 3.218 1.00 0.00 H new ATOM 0 HA GLN A 110 -13.939 -0.528 1.557 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -14.993 -0.449 3.861 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.458 0.110 4.496 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -14.959 1.996 4.130 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -13.567 2.115 3.072 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.196 -0.192 2.480 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.845 0.623 1.053 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.916 0.891 1.244 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.671 1.557 0.870 1.00 0.00 C ATOM 1341 C LEU A 111 -10.074 2.316 2.050 1.00 0.00 C ATOM 1342 O LEU A 111 -10.604 3.346 2.469 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.927 2.521 -0.297 1.00 0.00 C ATOM 1344 CG LEU A 111 -9.724 3.363 -0.744 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -8.648 2.495 -1.380 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -10.168 4.448 -1.711 1.00 0.00 C ATOM 0 H LEU A 111 -12.716 1.158 0.671 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.956 0.794 0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.279 1.942 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.735 3.197 -0.015 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.296 3.833 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.810 3.121 -1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.304 1.755 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.059 1.987 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.304 5.037 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.626 3.989 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.893 5.097 -1.221 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.979 1.795 2.585 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.314 2.446 3.694 1.00 0.00 C ATOM 1360 C GLY A 112 -8.383 1.636 4.972 1.00 0.00 C ATOM 1361 O GLY A 112 -7.716 1.962 5.955 1.00 0.00 O ATOM 0 H GLY A 112 -8.539 0.931 2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.270 2.620 3.435 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.768 3.423 3.862 1.00 0.00 H new ATOM 1365 N SER A 113 -9.185 0.578 4.961 1.00 0.00 N ATOM 1366 CA SER A 113 -9.338 -0.263 6.132 1.00 0.00 C ATOM 1367 C SER A 113 -8.640 -1.603 5.919 1.00 0.00 C ATOM 1368 O SER A 113 -9.080 -2.431 5.118 1.00 0.00 O ATOM 1369 CB SER A 113 -10.824 -0.476 6.443 1.00 0.00 C ATOM 1370 OG SER A 113 -11.009 -1.061 7.723 1.00 0.00 O ATOM 0 H SER A 113 -9.736 0.286 4.154 1.00 0.00 H new ATOM 0 HA SER A 113 -8.874 0.236 6.982 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.346 0.480 6.400 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.268 -1.117 5.681 1.00 0.00 H new ATOM 0 HG SER A 113 -11.106 -2.032 7.628 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.546 -1.805 6.636 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.787 -3.047 6.567 1.00 0.00 C ATOM 1378 C PHE A 114 -7.275 -3.990 7.661 1.00 0.00 C ATOM 1379 O PHE A 114 -6.487 -4.547 8.426 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.286 -2.770 6.742 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.687 -1.887 5.680 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.710 -0.504 5.812 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.087 -2.435 4.556 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -4.150 0.309 4.846 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.524 -1.624 3.589 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.556 -0.250 3.735 1.00 0.00 C ATOM 0 H PHE A 114 -7.159 -1.116 7.281 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.938 -3.507 5.590 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.126 -2.306 7.715 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.752 -3.720 6.750 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -5.172 -0.059 6.681 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -4.059 -3.508 4.435 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.178 1.382 4.961 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -3.059 -2.064 2.719 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.116 0.385 2.980 1.00 0.00 H new ATOM 1396 N SER A 115 -8.589 -4.133 7.751 1.00 0.00 N ATOM 1397 CA SER A 115 -9.202 -4.936 8.796 1.00 0.00 C ATOM 1398 C SER A 115 -9.273 -6.409 8.406 1.00 0.00 C ATOM 1399 O SER A 115 -9.210 -7.291 9.263 1.00 0.00 O ATOM 1400 CB SER A 115 -10.602 -4.404 9.096 1.00 0.00 C ATOM 1401 OG SER A 115 -11.378 -4.312 7.912 1.00 0.00 O ATOM 0 H SER A 115 -9.253 -3.701 7.109 1.00 0.00 H new ATOM 0 HA SER A 115 -8.581 -4.862 9.689 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.099 -5.061 9.810 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.529 -3.422 9.564 1.00 0.00 H new ATOM 0 HG SER A 115 -12.270 -3.970 8.131 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.411 -6.671 7.116 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.554 -8.032 6.626 1.00 0.00 C ATOM 1409 C ASN A 116 -8.855 -8.190 5.287 1.00 0.00 C ATOM 1410 O ASN A 116 -9.429 -7.912 4.232 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.033 -8.399 6.489 1.00 0.00 C ATOM 1412 CG ASN A 116 -11.238 -9.821 6.001 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -12.183 -10.102 5.263 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -10.373 -10.731 6.425 1.00 0.00 N ATOM 0 H ASN A 116 -9.427 -5.957 6.388 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.090 -8.705 7.347 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.525 -8.275 7.454 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.512 -7.708 5.796 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -10.477 -11.705 6.141 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -9.603 -10.457 7.036 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.614 -8.630 5.333 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.837 -8.810 4.124 1.00 0.00 C ATOM 1423 C CYS A 117 -6.433 -10.277 3.986 1.00 0.00 C ATOM 1424 O CYS A 117 -6.160 -10.947 4.981 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.593 -7.913 4.150 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.852 -6.250 4.875 1.00 0.00 S ATOM 0 H CYS A 117 -7.122 -8.869 6.194 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.445 -8.527 3.265 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.810 -8.420 4.713 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.227 -7.795 3.130 1.00 0.00 H new ATOM 1431 N SER A 118 -6.398 -10.775 2.758 1.00 0.00 N ATOM 1432 CA SER A 118 -6.098 -12.177 2.514 1.00 0.00 C ATOM 1433 C SER A 118 -4.943 -12.326 1.529 1.00 0.00 C ATOM 1434 O SER A 118 -4.707 -11.458 0.684 1.00 0.00 O ATOM 1435 CB SER A 118 -7.343 -12.896 1.988 1.00 0.00 C ATOM 1436 OG SER A 118 -8.397 -12.846 2.937 1.00 0.00 O ATOM 0 H SER A 118 -6.574 -10.228 1.915 1.00 0.00 H new ATOM 0 HA SER A 118 -5.797 -12.632 3.457 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.667 -12.435 1.055 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.100 -13.935 1.763 1.00 0.00 H new ATOM 0 HG SER A 118 -9.182 -13.310 2.579 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.216 -13.424 1.654 1.00 0.00 N ATOM 1443 CA HIS A 119 -3.098 -13.701 0.772 1.00 0.00 C ATOM 1444 C HIS A 119 -3.565 -14.464 -0.458 1.00 0.00 C ATOM 1445 O HIS A 119 -3.792 -15.674 -0.408 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.003 -14.487 1.509 1.00 0.00 C ATOM 1447 CG HIS A 119 -0.908 -14.996 0.612 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -0.041 -14.169 -0.072 1.00 0.00 N ATOM 1449 CD2 HIS A 119 -0.560 -16.261 0.274 1.00 0.00 C ATOM 1450 CE1 HIS A 119 0.790 -14.901 -0.788 1.00 0.00 C ATOM 1451 NE2 HIS A 119 0.497 -16.173 -0.596 1.00 0.00 N ATOM 0 H HIS A 119 -4.382 -14.140 2.361 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.676 -12.749 0.449 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -1.564 -13.848 2.275 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.460 -15.332 2.023 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -0.043 -13.150 -0.030 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -1.028 -17.169 0.624 1.00 0.00 H new ATOM 0 HE1 HIS A 119 1.577 -14.523 -1.424 1.00 0.00 H new ATOM 1459 N SER A 120 -3.729 -13.744 -1.554 1.00 0.00 N ATOM 1460 CA SER A 120 -4.007 -14.371 -2.829 1.00 0.00 C ATOM 1461 C SER A 120 -2.689 -14.866 -3.418 1.00 0.00 C ATOM 1462 O SER A 120 -1.836 -14.067 -3.804 1.00 0.00 O ATOM 1463 CB SER A 120 -4.691 -13.379 -3.777 1.00 0.00 C ATOM 1464 OG SER A 120 -5.177 -14.022 -4.944 1.00 0.00 O ATOM 0 H SER A 120 -3.674 -12.726 -1.584 1.00 0.00 H new ATOM 0 HA SER A 120 -4.686 -15.213 -2.691 1.00 0.00 H new ATOM 0 HB2 SER A 120 -5.517 -12.891 -3.259 1.00 0.00 H new ATOM 0 HB3 SER A 120 -3.985 -12.598 -4.059 1.00 0.00 H new ATOM 0 HG SER A 120 -5.609 -13.362 -5.526 1.00 0.00 H new ATOM 1470 N ARG A 121 -2.514 -16.180 -3.446 1.00 0.00 N ATOM 1471 CA ARG A 121 -1.265 -16.781 -3.895 1.00 0.00 C ATOM 1472 C ARG A 121 -1.218 -16.818 -5.421 1.00 0.00 C ATOM 1473 O ARG A 121 -1.248 -17.884 -6.039 1.00 0.00 O ATOM 1474 CB ARG A 121 -1.130 -18.190 -3.307 1.00 0.00 C ATOM 1475 CG ARG A 121 0.304 -18.689 -3.197 1.00 0.00 C ATOM 1476 CD ARG A 121 0.374 -20.014 -2.449 1.00 0.00 C ATOM 1477 NE ARG A 121 1.746 -20.404 -2.139 1.00 0.00 N ATOM 1478 CZ ARG A 121 2.086 -21.115 -1.068 1.00 0.00 C ATOM 1479 NH1 ARG A 121 1.155 -21.522 -0.219 1.00 0.00 N ATOM 1480 NH2 ARG A 121 3.350 -21.422 -0.839 1.00 0.00 N ATOM 0 H ARG A 121 -3.225 -16.854 -3.161 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.427 -16.178 -3.546 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -1.583 -18.202 -2.316 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -1.698 -18.885 -3.926 1.00 0.00 H new ATOM 0 HG2 ARG A 121 0.727 -18.809 -4.194 1.00 0.00 H new ATOM 0 HG3 ARG A 121 0.911 -17.945 -2.681 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.197 -19.937 -1.524 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -0.096 -20.793 -3.050 1.00 0.00 H new ATOM 0 HE ARG A 121 2.485 -20.115 -2.780 1.00 0.00 H new ATOM 0 HH11 ARG A 121 0.176 -21.290 -0.386 1.00 0.00 H new ATOM 0 HH12 ARG A 121 1.417 -22.067 0.602 1.00 0.00 H new ATOM 0 HH21 ARG A 121 4.075 -21.113 -1.486 1.00 0.00 H new ATOM 0 HH22 ARG A 121 3.601 -21.968 -0.015 1.00 0.00 H new ATOM 1493 N ASN A 122 -1.170 -15.635 -6.015 1.00 0.00 N ATOM 1494 CA ASN A 122 -1.181 -15.484 -7.462 1.00 0.00 C ATOM 1495 C ASN A 122 -0.550 -14.146 -7.835 1.00 0.00 C ATOM 1496 O ASN A 122 -0.826 -13.131 -7.193 1.00 0.00 O ATOM 1497 CB ASN A 122 -2.618 -15.551 -7.984 1.00 0.00 C ATOM 1498 CG ASN A 122 -2.706 -15.506 -9.496 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -3.599 -14.878 -10.050 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -1.802 -16.195 -10.173 1.00 0.00 N ATOM 0 H ASN A 122 -1.122 -14.752 -5.507 1.00 0.00 H new ATOM 0 HA ASN A 122 -0.607 -16.292 -7.915 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -3.085 -16.469 -7.626 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -3.188 -14.720 -7.568 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -1.834 -16.215 -11.192 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -1.073 -16.706 -9.676 1.00 0.00 H new ATOM 1507 N ASP A 123 0.283 -14.132 -8.869 1.00 0.00 N ATOM 1508 CA ASP A 123 1.034 -12.927 -9.219 1.00 0.00 C ATOM 1509 C ASP A 123 0.455 -12.237 -10.450 1.00 0.00 C ATOM 1510 O ASP A 123 1.196 -11.748 -11.303 1.00 0.00 O ATOM 1511 CB ASP A 123 2.517 -13.246 -9.467 1.00 0.00 C ATOM 1512 CG ASP A 123 3.262 -13.674 -8.216 1.00 0.00 C ATOM 1513 OD1 ASP A 123 3.726 -12.793 -7.462 1.00 0.00 O ATOM 1514 OD2 ASP A 123 3.406 -14.901 -7.997 1.00 0.00 O ATOM 0 H ASP A 123 0.456 -14.933 -9.477 1.00 0.00 H new ATOM 0 HA ASP A 123 0.950 -12.251 -8.368 1.00 0.00 H new ATOM 0 HB2 ASP A 123 2.590 -14.038 -10.213 1.00 0.00 H new ATOM 0 HB3 ASP A 123 3.004 -12.366 -9.887 1.00 0.00 H new ATOM 1519 N MET A 124 -0.870 -12.191 -10.551 1.00 0.00 N ATOM 1520 CA MET A 124 -1.506 -11.438 -11.633 1.00 0.00 C ATOM 1521 C MET A 124 -1.810 -10.024 -11.155 1.00 0.00 C ATOM 1522 O MET A 124 -2.381 -9.210 -11.881 1.00 0.00 O ATOM 1523 CB MET A 124 -2.792 -12.113 -12.138 1.00 0.00 C ATOM 1524 CG MET A 124 -3.981 -11.981 -11.198 1.00 0.00 C ATOM 1525 SD MET A 124 -5.553 -12.373 -11.998 1.00 0.00 S ATOM 1526 CE MET A 124 -5.247 -14.049 -12.559 1.00 0.00 C ATOM 0 H MET A 124 -1.515 -12.655 -9.912 1.00 0.00 H new ATOM 0 HA MET A 124 -0.810 -11.409 -12.471 1.00 0.00 H new ATOM 0 HB2 MET A 124 -3.058 -11.684 -13.104 1.00 0.00 H new ATOM 0 HB3 MET A 124 -2.591 -13.171 -12.304 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.838 -12.643 -10.344 1.00 0.00 H new ATOM 0 HG3 MET A 124 -4.020 -10.963 -10.810 1.00 0.00 H new ATOM 0 HE1 MET A 124 -5.532 -14.140 -13.607 1.00 0.00 H new ATOM 0 HE2 MET A 124 -4.188 -14.282 -12.449 1.00 0.00 H new ATOM 0 HE3 MET A 124 -5.835 -14.746 -11.962 1.00 0.00 H new ATOM 1536 N CYS A 125 -1.411 -9.746 -9.925 1.00 0.00 N ATOM 1537 CA CYS A 125 -1.630 -8.449 -9.312 1.00 0.00 C ATOM 1538 C CYS A 125 -0.307 -7.705 -9.180 1.00 0.00 C ATOM 1539 O CYS A 125 0.745 -8.317 -8.976 1.00 0.00 O ATOM 1540 CB CYS A 125 -2.282 -8.617 -7.936 1.00 0.00 C ATOM 1541 SG CYS A 125 -2.491 -7.064 -7.004 1.00 0.00 S ATOM 0 H CYS A 125 -0.927 -10.413 -9.325 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.300 -7.868 -9.946 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -3.259 -9.083 -8.065 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -1.678 -9.303 -7.343 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.360 -6.392 -9.315 1.00 0.00 N ATOM 1547 CA HIS A 126 0.828 -5.562 -9.196 1.00 0.00 C ATOM 1548 C HIS A 126 0.876 -4.907 -7.822 1.00 0.00 C ATOM 1549 O HIS A 126 -0.134 -4.393 -7.332 1.00 0.00 O ATOM 1550 CB HIS A 126 0.846 -4.501 -10.298 1.00 0.00 C ATOM 1551 CG HIS A 126 1.180 -5.051 -11.652 1.00 0.00 C ATOM 1552 ND1 HIS A 126 0.250 -5.641 -12.483 1.00 0.00 N ATOM 1553 CD2 HIS A 126 2.358 -5.100 -12.319 1.00 0.00 C ATOM 1554 CE1 HIS A 126 0.838 -6.027 -13.599 1.00 0.00 C ATOM 1555 NE2 HIS A 126 2.117 -5.710 -13.525 1.00 0.00 N ATOM 0 H HIS A 126 -1.217 -5.874 -9.508 1.00 0.00 H new ATOM 0 HA HIS A 126 1.710 -6.192 -9.310 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -0.130 -4.017 -10.342 1.00 0.00 H new ATOM 0 HB3 HIS A 126 1.572 -3.731 -10.038 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -0.740 -5.760 -12.268 1.00 0.00 H new ATOM 0 HD2 HIS A 126 3.309 -4.729 -11.968 1.00 0.00 H new ATOM 0 HE1 HIS A 126 0.355 -6.518 -14.431 1.00 0.00 H new ATOM 1563 N SER A 127 2.050 -4.941 -7.200 1.00 0.00 N ATOM 1564 CA SER A 127 2.245 -4.382 -5.869 1.00 0.00 C ATOM 1565 C SER A 127 1.874 -2.903 -5.845 1.00 0.00 C ATOM 1566 O SER A 127 2.134 -2.173 -6.807 1.00 0.00 O ATOM 1567 CB SER A 127 3.704 -4.559 -5.451 1.00 0.00 C ATOM 1568 OG SER A 127 4.176 -5.851 -5.801 1.00 0.00 O ATOM 0 H SER A 127 2.890 -5.356 -7.604 1.00 0.00 H new ATOM 0 HA SER A 127 1.597 -4.909 -5.169 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.320 -3.799 -5.933 1.00 0.00 H new ATOM 0 HB3 SER A 127 3.799 -4.411 -4.375 1.00 0.00 H new ATOM 0 HG SER A 127 4.743 -6.198 -5.081 1.00 0.00 H new ATOM 1574 N LEU A 128 1.259 -2.471 -4.752 1.00 0.00 N ATOM 1575 CA LEU A 128 0.822 -1.093 -4.620 1.00 0.00 C ATOM 1576 C LEU A 128 2.021 -0.194 -4.354 1.00 0.00 C ATOM 1577 O LEU A 128 2.794 -0.429 -3.424 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.219 -0.968 -3.499 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.976 0.364 -3.437 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -2.341 0.156 -2.803 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -0.191 1.404 -2.648 1.00 0.00 C ATOM 0 H LEU A 128 1.053 -3.058 -3.944 1.00 0.00 H new ATOM 0 HA LEU A 128 0.352 -0.776 -5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.946 -1.772 -3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.283 -1.124 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 128 -1.102 0.731 -4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.872 1.107 -2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.914 -0.555 -3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.217 -0.234 -1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -0.751 2.339 -2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -0.032 1.046 -1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 128 0.773 1.573 -3.128 1.00 0.00 H new ATOM 1593 N GLY A 129 2.171 0.824 -5.183 1.00 0.00 N ATOM 1594 CA GLY A 129 3.268 1.747 -5.038 1.00 0.00 C ATOM 1595 C GLY A 129 2.779 3.151 -4.794 1.00 0.00 C ATOM 1596 O GLY A 129 1.926 3.658 -5.526 1.00 0.00 O ATOM 0 H GLY A 129 1.544 1.027 -5.961 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.903 1.432 -4.210 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.884 1.726 -5.937 1.00 0.00 H new ATOM 1600 N LEU A 130 3.309 3.775 -3.761 1.00 0.00 N ATOM 1601 CA LEU A 130 2.909 5.120 -3.402 1.00 0.00 C ATOM 1602 C LEU A 130 4.054 6.088 -3.681 1.00 0.00 C ATOM 1603 O LEU A 130 5.200 5.828 -3.313 1.00 0.00 O ATOM 1604 CB LEU A 130 2.509 5.168 -1.924 1.00 0.00 C ATOM 1605 CG LEU A 130 1.952 6.507 -1.430 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.712 6.907 -2.217 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.630 6.425 0.054 1.00 0.00 C ATOM 0 H LEU A 130 4.021 3.370 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 130 2.048 5.415 -4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.761 4.396 -1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.381 4.914 -1.322 1.00 0.00 H new ATOM 0 HG LEU A 130 2.713 7.271 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.337 7.861 -1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 130 0.966 7.003 -3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.057 6.144 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.235 7.382 0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 130 0.887 5.645 0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.537 6.189 0.611 1.00 0.00 H new ATOM 1619 N THR A 131 3.750 7.175 -4.369 1.00 0.00 N ATOM 1620 CA THR A 131 4.741 8.192 -4.674 1.00 0.00 C ATOM 1621 C THR A 131 4.367 9.506 -3.998 1.00 0.00 C ATOM 1622 O THR A 131 3.407 10.161 -4.399 1.00 0.00 O ATOM 1623 CB THR A 131 4.848 8.407 -6.199 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.098 7.150 -6.844 1.00 0.00 O ATOM 1625 CG2 THR A 131 5.957 9.393 -6.543 1.00 0.00 C ATOM 0 H THR A 131 2.817 7.377 -4.729 1.00 0.00 H new ATOM 0 HA THR A 131 5.706 7.853 -4.298 1.00 0.00 H new ATOM 0 HB THR A 131 3.905 8.824 -6.553 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.164 7.287 -7.812 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.006 9.522 -7.624 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.749 10.354 -6.072 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.910 9.010 -6.180 1.00 0.00 H new ATOM 1633 N CYS A 132 5.111 9.878 -2.969 1.00 0.00 N ATOM 1634 CA CYS A 132 4.819 11.095 -2.222 1.00 0.00 C ATOM 1635 C CYS A 132 5.948 12.107 -2.390 1.00 0.00 C ATOM 1636 O CYS A 132 7.085 11.733 -2.690 1.00 0.00 O ATOM 1637 CB CYS A 132 4.625 10.758 -0.741 1.00 0.00 C ATOM 1638 SG CYS A 132 3.483 9.371 -0.446 1.00 0.00 S ATOM 0 H CYS A 132 5.920 9.357 -2.631 1.00 0.00 H new ATOM 0 HA CYS A 132 3.901 11.537 -2.611 1.00 0.00 H new ATOM 0 HB2 CYS A 132 5.594 10.518 -0.303 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.251 11.641 -0.223 1.00 0.00 H new ATOM 1643 N LEU A 133 5.624 13.389 -2.221 1.00 0.00 N ATOM 1644 CA LEU A 133 6.622 14.452 -2.311 1.00 0.00 C ATOM 1645 C LEU A 133 7.587 14.404 -1.132 1.00 0.00 C ATOM 1646 O LEU A 133 7.337 15.008 -0.088 1.00 0.00 O ATOM 1647 CB LEU A 133 5.946 15.827 -2.365 1.00 0.00 C ATOM 1648 CG LEU A 133 5.361 16.224 -3.723 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.523 17.485 -3.588 1.00 0.00 C ATOM 1650 CD2 LEU A 133 6.473 16.442 -4.742 1.00 0.00 C ATOM 0 H LEU A 133 4.678 13.715 -2.021 1.00 0.00 H new ATOM 0 HA LEU A 133 7.186 14.294 -3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.146 15.848 -1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.674 16.582 -2.069 1.00 0.00 H new ATOM 0 HG LEU A 133 4.723 15.412 -4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.113 17.756 -4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.707 17.306 -2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.147 18.299 -3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 133 6.038 16.723 -5.701 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.133 17.237 -4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.045 15.521 -4.859 1.00 0.00 H new ATOM 1662 N GLU A 134 8.678 13.675 -1.303 1.00 0.00 N ATOM 1663 CA GLU A 134 9.714 13.592 -0.285 1.00 0.00 C ATOM 1664 C GLU A 134 10.661 14.776 -0.400 1.00 0.00 C ATOM 1665 O GLU A 134 11.235 14.976 -1.489 1.00 0.00 O ATOM 1666 CB GLU A 134 10.488 12.269 -0.385 1.00 0.00 C ATOM 1667 CG GLU A 134 10.941 11.907 -1.789 1.00 0.00 C ATOM 1668 CD GLU A 134 11.921 10.752 -1.800 1.00 0.00 C ATOM 1669 OE1 GLU A 134 11.505 9.611 -1.516 1.00 0.00 O ATOM 1670 OE2 GLU A 134 13.114 10.985 -2.094 1.00 0.00 O ATOM 1671 OXT GLU A 134 10.817 15.511 0.593 1.00 0.00 O ATOM 0 H GLU A 134 8.870 13.129 -2.143 1.00 0.00 H new ATOM 0 HA GLU A 134 9.232 13.622 0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 134 11.363 12.325 0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 134 9.859 11.465 -0.001 1.00 0.00 H new ATOM 0 HG2 GLU A 134 10.071 11.648 -2.393 1.00 0.00 H new ATOM 0 HG3 GLU A 134 11.404 12.777 -2.254 1.00 0.00 H new TER 1678 GLU A 134