USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=32 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 122 ASN : amide:sc= -0.28 K(o=-0.35,f=-5.4!) USER MOD Set 1.2: A 124 MET CE :methyl 145:sc= -0.0736 (180deg=-2.12!) USER MOD Set 2.1: A 113 SER OG : rot 180:sc= 0.236 USER MOD Set 2.2: A 115 SER OG : rot 96:sc= -0.264 USER MOD Set 3.1: A 91 SER OG : rot 180:sc= 0.192 USER MOD Set 3.2: A 131 THR OG1 : rot 127:sc= 0.36 USER MOD Set 4.1: A 61 SER OG : rot -86:sc= 2.14 USER MOD Set 4.2: A 68 SER OG : rot 62:sc= -0.189! USER MOD Set 4.3: A 97 LYS NZ :NH3+ 168:sc= 1.26 (180deg=-0.0252) USER MOD Set 4.4: A 99 TYR OH : rot 68:sc= 0.775 USER MOD Set 4.5: A 126 HIS : no HE2:sc= 2.06 K(o=6,f=-11!) USER MOD Set 5.1: A 62 GLN : amide:sc= -0.864 K(o=-0.86,f=-4.9!) USER MOD Set 5.2: A 67 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 47 GLN : amide:sc= -3.51! K(o=-2.4!,f=-3.5) USER MOD Set 6.2: A 58 MET CE :methyl 151:sc= -0.121 (180deg=-0.565) USER MOD Set 6.3: A 98 THR OG1 : rot 138:sc= 0.19 USER MOD Set 6.4: A 127 SER OG : rot -162:sc= 1.01 USER MOD Set 7.1: A 38 THR OG1 : rot 127:sc= 2.18 USER MOD Set 7.2: A 40 SER OG : rot 180:sc= 1.01 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 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot -76:sc= 1.33 USER MOD Single : A 43 LYS NZ :NH3+ 163:sc= -0.0322 (180deg=-0.319) USER MOD Single : A 45 GLN : amide:sc= 0.876 K(o=0.88,f=-0.61) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= 1.05 K(o=1.1,f=-4.2!) USER MOD Single : A 63 SER OG : rot 93:sc= 1.17 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 15:sc= 1.19 USER MOD Single : A 76 GLN : amide:sc= -0.996 K(o=-1,f=-5.3!) USER MOD Single : A 78 SER OG : rot 87:sc= 1.23 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -1.59! C(o=-1.6!,f=-6.9!) USER MOD Single : A 85 ASN : amide:sc= -0.269 K(o=-0.27,f=-1.2) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.795 USER MOD Single : A 102 GLN : amide:sc= -0.421 K(o=-0.42,f=-2) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -83:sc= 1.05 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 ASN : amide:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HE2:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 25 -10.624 -1.589 13.252 1.00 0.00 N ATOM 2 CA ARG A 25 -10.289 -0.648 12.166 1.00 0.00 C ATOM 3 C ARG A 25 -8.787 -0.400 12.091 1.00 0.00 C ATOM 4 O ARG A 25 -8.189 0.178 13.001 1.00 0.00 O ATOM 5 CB ARG A 25 -11.038 0.675 12.356 1.00 0.00 C ATOM 6 CG ARG A 25 -10.846 1.302 13.729 1.00 0.00 C ATOM 7 CD ARG A 25 -11.608 2.610 13.861 1.00 0.00 C ATOM 8 NE ARG A 25 -13.043 2.450 13.610 1.00 0.00 N ATOM 9 CZ ARG A 25 -13.910 2.007 14.520 1.00 0.00 C ATOM 10 NH1 ARG A 25 -13.476 1.597 15.704 1.00 0.00 N ATOM 11 NH2 ARG A 25 -15.205 1.955 14.249 1.00 0.00 N ATOM 0 HA ARG A 25 -10.602 -1.099 11.224 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -10.706 1.381 11.595 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -12.102 0.506 12.191 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -11.182 0.606 14.497 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -9.785 1.480 13.903 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -11.460 3.014 14.863 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -11.199 3.338 13.160 1.00 0.00 H new ATOM 0 HE ARG A 25 -13.399 2.692 12.685 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -12.479 1.621 15.918 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -14.139 1.258 16.401 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -15.548 2.256 13.337 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -15.860 1.614 14.953 1.00 0.00 H new ATOM 23 N LEU A 26 -8.181 -0.872 11.015 1.00 0.00 N ATOM 24 CA LEU A 26 -6.789 -0.578 10.719 1.00 0.00 C ATOM 25 C LEU A 26 -6.704 0.206 9.420 1.00 0.00 C ATOM 26 O LEU A 26 -6.248 -0.306 8.402 1.00 0.00 O ATOM 27 CB LEU A 26 -5.961 -1.863 10.604 1.00 0.00 C ATOM 28 CG LEU A 26 -5.763 -2.648 11.900 1.00 0.00 C ATOM 29 CD1 LEU A 26 -4.933 -3.889 11.632 1.00 0.00 C ATOM 30 CD2 LEU A 26 -5.095 -1.780 12.959 1.00 0.00 C ATOM 0 H LEU A 26 -8.638 -1.468 10.324 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.381 0.014 11.538 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.440 -2.517 9.876 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.980 -1.606 10.204 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.740 -2.951 12.276 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.796 -4.443 12.561 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.445 -4.520 10.905 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.960 -3.598 11.237 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.963 -2.358 13.874 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.122 -1.448 12.597 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.721 -0.912 13.166 1.00 0.00 H new ATOM 42 N SER A 27 -7.161 1.444 9.450 1.00 0.00 N ATOM 43 CA SER A 27 -7.194 2.262 8.252 1.00 0.00 C ATOM 44 C SER A 27 -5.892 3.034 8.103 1.00 0.00 C ATOM 45 O SER A 27 -5.256 3.401 9.093 1.00 0.00 O ATOM 46 CB SER A 27 -8.377 3.231 8.307 1.00 0.00 C ATOM 47 OG SER A 27 -9.592 2.544 8.560 1.00 0.00 O ATOM 0 H SER A 27 -7.514 1.904 10.289 1.00 0.00 H new ATOM 0 HA SER A 27 -7.314 1.609 7.388 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.207 3.973 9.087 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.452 3.772 7.364 1.00 0.00 H new ATOM 0 HG SER A 27 -10.331 3.187 8.592 1.00 0.00 H new ATOM 53 N TRP A 28 -5.499 3.288 6.860 1.00 0.00 N ATOM 54 CA TRP A 28 -4.289 4.053 6.581 1.00 0.00 C ATOM 55 C TRP A 28 -4.477 5.541 6.881 1.00 0.00 C ATOM 56 O TRP A 28 -3.718 6.381 6.405 1.00 0.00 O ATOM 57 CB TRP A 28 -3.835 3.851 5.126 1.00 0.00 C ATOM 58 CG TRP A 28 -4.845 4.228 4.074 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.977 4.980 4.225 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.790 3.873 2.687 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.630 5.101 3.026 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.920 4.432 2.066 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.891 3.131 1.911 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -6.178 4.275 0.708 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -4.150 2.978 0.562 1.00 0.00 C ATOM 66 CH2 TRP A 28 -5.283 3.546 -0.026 1.00 0.00 C ATOM 0 H TRP A 28 -6.001 2.975 6.029 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.510 3.677 7.244 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.930 4.435 4.962 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.567 2.803 4.989 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.309 5.416 5.156 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.503 5.607 2.874 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.013 2.687 2.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.053 4.713 0.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.464 2.409 -0.049 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.456 3.406 -1.083 1.00 0.00 H new ATOM 77 N TYR A 29 -5.498 5.848 7.671 1.00 0.00 N ATOM 78 CA TYR A 29 -5.782 7.208 8.085 1.00 0.00 C ATOM 79 C TYR A 29 -5.740 7.283 9.612 1.00 0.00 C ATOM 80 O TYR A 29 -5.988 8.331 10.213 1.00 0.00 O ATOM 81 CB TYR A 29 -7.160 7.623 7.562 1.00 0.00 C ATOM 82 CG TYR A 29 -7.315 9.111 7.333 1.00 0.00 C ATOM 83 CD1 TYR A 29 -6.786 9.712 6.196 1.00 0.00 C ATOM 84 CD2 TYR A 29 -7.990 9.915 8.243 1.00 0.00 C ATOM 85 CE1 TYR A 29 -6.925 11.065 5.973 1.00 0.00 C ATOM 86 CE2 TYR A 29 -8.134 11.272 8.025 1.00 0.00 C ATOM 87 CZ TYR A 29 -7.599 11.843 6.889 1.00 0.00 C ATOM 88 OH TYR A 29 -7.737 13.198 6.672 1.00 0.00 O ATOM 0 H TYR A 29 -6.151 5.157 8.041 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.036 7.889 7.676 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.353 7.101 6.625 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.919 7.295 8.272 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.257 9.107 5.474 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.409 9.473 9.135 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.507 11.514 5.084 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.663 11.883 8.741 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.239 13.598 7.412 1.00 0.00 H new ATOM 98 N ASP A 30 -5.422 6.151 10.232 1.00 0.00 N ATOM 99 CA ASP A 30 -5.340 6.059 11.684 1.00 0.00 C ATOM 100 C ASP A 30 -3.929 6.362 12.159 1.00 0.00 C ATOM 101 O ASP A 30 -2.949 6.036 11.489 1.00 0.00 O ATOM 102 CB ASP A 30 -5.755 4.667 12.170 1.00 0.00 C ATOM 103 CG ASP A 30 -7.244 4.431 12.054 1.00 0.00 C ATOM 104 OD1 ASP A 30 -8.015 5.222 12.637 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.653 3.463 11.379 1.00 0.00 O ATOM 0 H ASP A 30 -5.215 5.278 9.746 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.026 6.796 12.102 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.225 3.911 11.591 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.451 4.543 13.209 1.00 0.00 H new ATOM 110 N PRO A 31 -3.818 7.000 13.334 1.00 0.00 N ATOM 111 CA PRO A 31 -2.533 7.399 13.916 1.00 0.00 C ATOM 112 C PRO A 31 -1.659 6.210 14.294 1.00 0.00 C ATOM 113 O PRO A 31 -0.446 6.345 14.415 1.00 0.00 O ATOM 114 CB PRO A 31 -2.921 8.182 15.177 1.00 0.00 C ATOM 115 CG PRO A 31 -4.364 8.504 15.013 1.00 0.00 C ATOM 116 CD PRO A 31 -4.946 7.397 14.186 1.00 0.00 C ATOM 0 HA PRO A 31 -1.944 7.974 13.202 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.750 7.589 16.076 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.325 9.089 15.275 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.861 8.570 15.981 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.495 9.468 14.521 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.296 6.571 14.805 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.798 7.737 13.597 1.00 0.00 H new ATOM 124 N ASP A 32 -2.276 5.052 14.484 1.00 0.00 N ATOM 125 CA ASP A 32 -1.547 3.853 14.893 1.00 0.00 C ATOM 126 C ASP A 32 -1.258 2.950 13.703 1.00 0.00 C ATOM 127 O ASP A 32 -0.909 1.778 13.868 1.00 0.00 O ATOM 128 CB ASP A 32 -2.331 3.073 15.948 1.00 0.00 C ATOM 129 CG ASP A 32 -2.508 3.850 17.233 1.00 0.00 C ATOM 130 OD1 ASP A 32 -1.594 3.816 18.084 1.00 0.00 O ATOM 131 OD2 ASP A 32 -3.560 4.502 17.397 1.00 0.00 O ATOM 0 H ASP A 32 -3.279 4.914 14.362 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.600 4.180 15.322 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.311 2.812 15.548 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.814 2.137 16.162 1.00 0.00 H new ATOM 136 N PHE A 33 -1.412 3.487 12.505 1.00 0.00 N ATOM 137 CA PHE A 33 -1.127 2.732 11.302 1.00 0.00 C ATOM 138 C PHE A 33 0.364 2.798 10.980 1.00 0.00 C ATOM 139 O PHE A 33 0.955 3.878 10.944 1.00 0.00 O ATOM 140 CB PHE A 33 -1.962 3.267 10.135 1.00 0.00 C ATOM 141 CG PHE A 33 -1.775 2.502 8.858 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.261 1.210 8.730 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.117 3.078 7.786 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.091 0.509 7.554 1.00 0.00 C ATOM 145 CE2 PHE A 33 -0.947 2.382 6.607 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.434 1.097 6.490 1.00 0.00 C ATOM 0 H PHE A 33 -1.732 4.442 12.342 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.395 1.688 11.465 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.016 3.241 10.412 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.703 4.312 9.963 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.777 0.748 9.558 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.732 4.083 7.873 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.471 -0.498 7.465 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.433 2.843 5.776 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.302 0.551 5.568 1.00 0.00 H new ATOM 156 N GLN A 34 0.966 1.636 10.761 1.00 0.00 N ATOM 157 CA GLN A 34 2.396 1.541 10.496 1.00 0.00 C ATOM 158 C GLN A 34 2.643 0.994 9.096 1.00 0.00 C ATOM 159 O GLN A 34 2.126 -0.066 8.738 1.00 0.00 O ATOM 160 CB GLN A 34 3.059 0.638 11.540 1.00 0.00 C ATOM 161 CG GLN A 34 2.987 1.193 12.952 1.00 0.00 C ATOM 162 CD GLN A 34 3.463 0.204 13.998 1.00 0.00 C ATOM 163 OE1 GLN A 34 2.676 -0.571 14.541 1.00 0.00 O ATOM 164 NE2 GLN A 34 4.754 0.224 14.292 1.00 0.00 N ATOM 0 H GLN A 34 0.481 0.739 10.762 1.00 0.00 H new ATOM 0 HA GLN A 34 2.832 2.538 10.559 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.581 -0.341 11.518 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.104 0.489 11.269 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.591 2.098 13.013 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.959 1.481 13.172 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.374 0.882 13.820 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.128 -0.418 14.991 1.00 0.00 H new ATOM 173 N ALA A 35 3.429 1.720 8.305 1.00 0.00 N ATOM 174 CA ALA A 35 3.702 1.324 6.930 1.00 0.00 C ATOM 175 C ALA A 35 4.988 1.960 6.414 1.00 0.00 C ATOM 176 O ALA A 35 5.466 2.951 6.967 1.00 0.00 O ATOM 177 CB ALA A 35 2.534 1.705 6.030 1.00 0.00 C ATOM 0 H ALA A 35 3.887 2.584 8.594 1.00 0.00 H new ATOM 0 HA ALA A 35 3.830 0.242 6.913 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.751 1.404 5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.631 1.201 6.373 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.383 2.784 6.067 1.00 0.00 H new ATOM 183 N ARG A 36 5.546 1.377 5.360 1.00 0.00 N ATOM 184 CA ARG A 36 6.732 1.919 4.711 1.00 0.00 C ATOM 185 C ARG A 36 6.616 1.749 3.200 1.00 0.00 C ATOM 186 O ARG A 36 5.718 1.061 2.714 1.00 0.00 O ATOM 187 CB ARG A 36 8.006 1.236 5.217 1.00 0.00 C ATOM 188 CG ARG A 36 8.092 -0.250 4.888 1.00 0.00 C ATOM 189 CD ARG A 36 9.473 -0.817 5.194 1.00 0.00 C ATOM 190 NE ARG A 36 9.820 -0.713 6.614 1.00 0.00 N ATOM 191 CZ ARG A 36 10.656 0.199 7.112 1.00 0.00 C ATOM 192 NH1 ARG A 36 11.203 1.109 6.313 1.00 0.00 N ATOM 193 NH2 ARG A 36 10.959 0.202 8.400 1.00 0.00 N ATOM 0 H ARG A 36 5.192 0.521 4.934 1.00 0.00 H new ATOM 0 HA ARG A 36 6.799 2.979 4.956 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.871 1.742 4.788 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.067 1.361 6.298 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.341 -0.793 5.461 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.861 -0.403 3.834 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.508 -1.863 4.890 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.219 -0.288 4.601 1.00 0.00 H new ATOM 0 HE ARG A 36 9.396 -1.378 7.261 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.984 1.111 5.317 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.842 1.806 6.696 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.552 -0.497 9.021 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.599 0.904 8.772 1.00 0.00 H new ATOM 206 N LEU A 37 7.530 2.369 2.465 1.00 0.00 N ATOM 207 CA LEU A 37 7.487 2.348 1.010 1.00 0.00 C ATOM 208 C LEU A 37 8.760 1.738 0.431 1.00 0.00 C ATOM 209 O LEU A 37 9.360 2.288 -0.495 1.00 0.00 O ATOM 210 CB LEU A 37 7.268 3.763 0.475 1.00 0.00 C ATOM 211 CG LEU A 37 5.958 4.420 0.922 1.00 0.00 C ATOM 212 CD1 LEU A 37 5.850 5.836 0.384 1.00 0.00 C ATOM 213 CD2 LEU A 37 4.768 3.590 0.469 1.00 0.00 C ATOM 0 H LEU A 37 8.313 2.894 2.855 1.00 0.00 H new ATOM 0 HA LEU A 37 6.652 1.722 0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.101 4.390 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.290 3.733 -0.614 1.00 0.00 H new ATOM 0 HG LEU A 37 5.957 4.469 2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.911 6.280 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.684 6.431 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.877 5.814 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.845 4.070 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.772 3.511 -0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.832 2.593 0.906 1.00 0.00 H new ATOM 225 N THR A 38 9.153 0.599 1.011 1.00 0.00 N ATOM 226 CA THR A 38 10.308 -0.198 0.564 1.00 0.00 C ATOM 227 C THR A 38 11.561 0.647 0.285 1.00 0.00 C ATOM 228 O THR A 38 11.728 1.747 0.823 1.00 0.00 O ATOM 229 CB THR A 38 9.949 -1.039 -0.687 1.00 0.00 C ATOM 230 OG1 THR A 38 9.498 -0.206 -1.762 1.00 0.00 O ATOM 231 CG2 THR A 38 8.876 -2.057 -0.356 1.00 0.00 C ATOM 0 H THR A 38 8.673 0.196 1.816 1.00 0.00 H new ATOM 0 HA THR A 38 10.551 -0.862 1.394 1.00 0.00 H new ATOM 0 HB THR A 38 10.855 -1.557 -1.002 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.020 -0.401 -2.568 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.638 -2.637 -1.247 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.237 -2.725 0.426 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.980 -1.542 -0.009 1.00 0.00 H new ATOM 239 N ARG A 39 12.468 0.086 -0.514 1.00 0.00 N ATOM 240 CA ARG A 39 13.702 0.759 -0.903 1.00 0.00 C ATOM 241 C ARG A 39 13.836 0.740 -2.423 1.00 0.00 C ATOM 242 O ARG A 39 14.920 0.508 -2.959 1.00 0.00 O ATOM 243 CB ARG A 39 14.909 0.049 -0.281 1.00 0.00 C ATOM 244 CG ARG A 39 14.846 -0.080 1.230 1.00 0.00 C ATOM 245 CD ARG A 39 15.905 -1.043 1.741 1.00 0.00 C ATOM 246 NE ARG A 39 17.268 -0.589 1.456 1.00 0.00 N ATOM 247 CZ ARG A 39 18.263 -1.411 1.124 1.00 0.00 C ATOM 248 NH1 ARG A 39 18.024 -2.703 0.951 1.00 0.00 N ATOM 249 NH2 ARG A 39 19.490 -0.948 0.948 1.00 0.00 N ATOM 0 H ARG A 39 12.366 -0.849 -0.909 1.00 0.00 H new ATOM 0 HA ARG A 39 13.670 1.789 -0.548 1.00 0.00 H new ATOM 0 HB2 ARG A 39 14.994 -0.947 -0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.814 0.593 -0.550 1.00 0.00 H new ATOM 0 HG2 ARG A 39 14.989 0.899 1.688 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.858 -0.430 1.527 1.00 0.00 H new ATOM 0 HD2 ARG A 39 15.786 -1.169 2.817 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.750 -2.021 1.286 1.00 0.00 H new ATOM 0 HE ARG A 39 17.466 0.410 1.515 1.00 0.00 H new ATOM 0 HH11 ARG A 39 17.079 -3.068 1.072 1.00 0.00 H new ATOM 0 HH12 ARG A 39 18.785 -3.333 0.697 1.00 0.00 H new ATOM 0 HH21 ARG A 39 19.682 0.047 1.066 1.00 0.00 H new ATOM 0 HH22 ARG A 39 20.244 -1.586 0.694 1.00 0.00 H new ATOM 262 N SER A 40 12.723 0.977 -3.106 1.00 0.00 N ATOM 263 CA SER A 40 12.651 0.820 -4.557 1.00 0.00 C ATOM 264 C SER A 40 13.464 1.881 -5.298 1.00 0.00 C ATOM 265 O SER A 40 14.141 1.577 -6.284 1.00 0.00 O ATOM 266 CB SER A 40 11.189 0.870 -4.999 1.00 0.00 C ATOM 267 OG SER A 40 10.418 -0.088 -4.291 1.00 0.00 O ATOM 0 H SER A 40 11.850 1.281 -2.676 1.00 0.00 H new ATOM 0 HA SER A 40 13.086 -0.147 -4.811 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.786 1.868 -4.827 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.121 0.679 -6.070 1.00 0.00 H new ATOM 0 HG SER A 40 9.485 -0.040 -4.586 1.00 0.00 H new ATOM 273 N ASN A 41 13.401 3.118 -4.831 1.00 0.00 N ATOM 274 CA ASN A 41 14.104 4.210 -5.494 1.00 0.00 C ATOM 275 C ASN A 41 14.353 5.351 -4.519 1.00 0.00 C ATOM 276 O ASN A 41 15.419 5.968 -4.515 1.00 0.00 O ATOM 277 CB ASN A 41 13.304 4.699 -6.706 1.00 0.00 C ATOM 278 CG ASN A 41 14.036 5.768 -7.496 1.00 0.00 C ATOM 279 OD1 ASN A 41 13.831 6.964 -7.291 1.00 0.00 O ATOM 280 ND2 ASN A 41 14.892 5.344 -8.411 1.00 0.00 N ATOM 0 H ASN A 41 12.875 3.392 -4.001 1.00 0.00 H new ATOM 0 HA ASN A 41 15.069 3.842 -5.844 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.088 3.854 -7.359 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.346 5.094 -6.369 1.00 0.00 H new ATOM 0 HD21 ASN A 41 15.409 6.017 -8.976 1.00 0.00 H new ATOM 0 HD22 ASN A 41 15.035 4.344 -8.551 1.00 0.00 H new ATOM 287 N SER A 42 13.363 5.622 -3.690 1.00 0.00 N ATOM 288 CA SER A 42 13.486 6.619 -2.649 1.00 0.00 C ATOM 289 C SER A 42 12.838 6.067 -1.389 1.00 0.00 C ATOM 290 O SER A 42 11.946 5.222 -1.464 1.00 0.00 O ATOM 291 CB SER A 42 12.812 7.923 -3.088 1.00 0.00 C ATOM 292 OG SER A 42 13.367 9.045 -2.420 1.00 0.00 O ATOM 0 H SER A 42 12.455 5.158 -3.720 1.00 0.00 H new ATOM 0 HA SER A 42 14.535 6.841 -2.453 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.924 8.047 -4.165 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.743 7.868 -2.883 1.00 0.00 H new ATOM 0 HG SER A 42 13.027 9.080 -1.502 1.00 0.00 H new ATOM 298 N LYS A 43 13.296 6.535 -0.238 1.00 0.00 N ATOM 299 CA LYS A 43 12.861 5.985 1.044 1.00 0.00 C ATOM 300 C LYS A 43 11.401 6.315 1.323 1.00 0.00 C ATOM 301 O LYS A 43 10.790 5.738 2.222 1.00 0.00 O ATOM 302 CB LYS A 43 13.745 6.506 2.182 1.00 0.00 C ATOM 303 CG LYS A 43 15.217 6.153 2.032 1.00 0.00 C ATOM 304 CD LYS A 43 16.035 6.660 3.205 1.00 0.00 C ATOM 305 CE LYS A 43 17.520 6.436 2.981 1.00 0.00 C ATOM 306 NZ LYS A 43 18.033 7.222 1.825 1.00 0.00 N ATOM 0 H LYS A 43 13.971 7.296 -0.162 1.00 0.00 H new ATOM 0 HA LYS A 43 12.959 4.901 0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.646 7.590 2.239 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.379 6.103 3.126 1.00 0.00 H new ATOM 0 HG2 LYS A 43 15.326 5.071 1.952 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.602 6.582 1.107 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.844 7.723 3.352 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.722 6.151 4.116 1.00 0.00 H new ATOM 0 HE2 LYS A 43 18.069 6.714 3.881 1.00 0.00 H new ATOM 0 HE3 LYS A 43 17.705 5.376 2.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 19.070 7.276 1.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.752 6.758 0.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.635 8.182 1.854 1.00 0.00 H new ATOM 319 N CYS A 44 10.852 7.245 0.560 1.00 0.00 N ATOM 320 CA CYS A 44 9.458 7.625 0.703 1.00 0.00 C ATOM 321 C CYS A 44 8.711 7.434 -0.619 1.00 0.00 C ATOM 322 O CYS A 44 7.676 8.059 -0.861 1.00 0.00 O ATOM 323 CB CYS A 44 9.382 9.080 1.156 1.00 0.00 C ATOM 324 SG CYS A 44 7.773 9.600 1.818 1.00 0.00 S ATOM 0 H CYS A 44 11.354 7.753 -0.168 1.00 0.00 H new ATOM 0 HA CYS A 44 8.984 6.988 1.450 1.00 0.00 H new ATOM 0 HB2 CYS A 44 10.142 9.246 1.919 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.634 9.721 0.311 1.00 0.00 H new ATOM 329 N GLN A 45 9.249 6.575 -1.484 1.00 0.00 N ATOM 330 CA GLN A 45 8.640 6.307 -2.786 1.00 0.00 C ATOM 331 C GLN A 45 8.907 4.862 -3.197 1.00 0.00 C ATOM 332 O GLN A 45 10.024 4.523 -3.598 1.00 0.00 O ATOM 333 CB GLN A 45 9.207 7.250 -3.859 1.00 0.00 C ATOM 334 CG GLN A 45 9.221 8.722 -3.466 1.00 0.00 C ATOM 335 CD GLN A 45 9.754 9.617 -4.565 1.00 0.00 C ATOM 336 OE1 GLN A 45 10.581 9.201 -5.378 1.00 0.00 O ATOM 337 NE2 GLN A 45 9.286 10.852 -4.592 1.00 0.00 N ATOM 0 H GLN A 45 10.107 6.052 -1.306 1.00 0.00 H new ATOM 0 HA GLN A 45 7.566 6.475 -2.700 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.225 6.941 -4.095 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.620 7.136 -4.771 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.209 9.034 -3.208 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.831 8.849 -2.572 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.602 11.153 -3.898 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.609 11.504 -5.307 1.00 0.00 H new ATOM 346 N GLY A 46 7.892 4.014 -3.096 1.00 0.00 N ATOM 347 CA GLY A 46 8.070 2.615 -3.435 1.00 0.00 C ATOM 348 C GLY A 46 6.836 1.782 -3.163 1.00 0.00 C ATOM 349 O GLY A 46 5.713 2.271 -3.290 1.00 0.00 O ATOM 0 H GLY A 46 6.953 4.267 -2.787 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.333 2.532 -4.490 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.907 2.212 -2.865 1.00 0.00 H new ATOM 353 N GLN A 47 7.048 0.528 -2.775 1.00 0.00 N ATOM 354 CA GLN A 47 5.957 -0.411 -2.544 1.00 0.00 C ATOM 355 C GLN A 47 5.390 -0.230 -1.141 1.00 0.00 C ATOM 356 O GLN A 47 6.139 -0.106 -0.174 1.00 0.00 O ATOM 357 CB GLN A 47 6.448 -1.854 -2.711 1.00 0.00 C ATOM 358 CG GLN A 47 7.030 -2.162 -4.083 1.00 0.00 C ATOM 359 CD GLN A 47 7.564 -3.584 -4.188 1.00 0.00 C ATOM 360 OE1 GLN A 47 7.533 -4.198 -5.256 1.00 0.00 O ATOM 361 NE2 GLN A 47 8.060 -4.117 -3.081 1.00 0.00 N ATOM 0 H GLN A 47 7.976 0.136 -2.613 1.00 0.00 H new ATOM 0 HA GLN A 47 5.175 -0.211 -3.277 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.205 -2.058 -1.954 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.617 -2.533 -2.521 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.262 -2.009 -4.842 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.835 -1.459 -4.298 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.069 -3.578 -2.215 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.433 -5.066 -3.095 1.00 0.00 H new ATOM 370 N LEU A 48 4.071 -0.221 -1.033 1.00 0.00 N ATOM 371 CA LEU A 48 3.416 -0.038 0.251 1.00 0.00 C ATOM 372 C LEU A 48 3.438 -1.328 1.061 1.00 0.00 C ATOM 373 O LEU A 48 2.712 -2.282 0.763 1.00 0.00 O ATOM 374 CB LEU A 48 1.972 0.435 0.056 1.00 0.00 C ATOM 375 CG LEU A 48 1.203 0.746 1.344 1.00 0.00 C ATOM 376 CD1 LEU A 48 1.858 1.889 2.105 1.00 0.00 C ATOM 377 CD2 LEU A 48 -0.245 1.083 1.027 1.00 0.00 C ATOM 0 H LEU A 48 3.433 -0.338 -1.820 1.00 0.00 H new ATOM 0 HA LEU A 48 3.965 0.726 0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.982 1.330 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.428 -0.331 -0.496 1.00 0.00 H new ATOM 0 HG LEU A 48 1.226 -0.141 1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.293 2.091 3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.880 1.614 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.870 2.782 1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.779 1.302 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.281 1.954 0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.715 0.235 0.529 1.00 0.00 H new ATOM 389 N GLU A 49 4.295 -1.356 2.068 1.00 0.00 N ATOM 390 CA GLU A 49 4.335 -2.461 3.009 1.00 0.00 C ATOM 391 C GLU A 49 3.731 -2.016 4.324 1.00 0.00 C ATOM 392 O GLU A 49 4.145 -1.005 4.895 1.00 0.00 O ATOM 393 CB GLU A 49 5.765 -2.955 3.238 1.00 0.00 C ATOM 394 CG GLU A 49 6.392 -3.599 2.018 1.00 0.00 C ATOM 395 CD GLU A 49 7.824 -4.026 2.265 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.598 -3.231 2.841 1.00 0.00 O ATOM 397 OE2 GLU A 49 8.182 -5.162 1.891 1.00 0.00 O ATOM 0 H GLU A 49 4.976 -0.620 2.255 1.00 0.00 H new ATOM 0 HA GLU A 49 3.761 -3.288 2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.384 -2.115 3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.764 -3.674 4.057 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.802 -4.467 1.725 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.363 -2.897 1.184 1.00 0.00 H new ATOM 404 N VAL A 50 2.751 -2.760 4.795 1.00 0.00 N ATOM 405 CA VAL A 50 2.051 -2.404 6.012 1.00 0.00 C ATOM 406 C VAL A 50 2.408 -3.361 7.134 1.00 0.00 C ATOM 407 O VAL A 50 2.747 -4.521 6.888 1.00 0.00 O ATOM 408 CB VAL A 50 0.519 -2.391 5.809 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.131 -1.353 4.771 1.00 0.00 C ATOM 410 CG2 VAL A 50 0.010 -3.766 5.405 1.00 0.00 C ATOM 0 H VAL A 50 2.421 -3.617 4.352 1.00 0.00 H new ATOM 0 HA VAL A 50 2.368 -1.396 6.281 1.00 0.00 H new ATOM 0 HB VAL A 50 0.054 -2.125 6.758 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.951 -1.357 4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.453 -0.367 5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.612 -1.590 3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.071 -3.728 5.269 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.483 -4.069 4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.252 -4.487 6.185 1.00 0.00 H new ATOM 420 N TYR A 51 2.358 -2.864 8.358 1.00 0.00 N ATOM 421 CA TYR A 51 2.648 -3.681 9.524 1.00 0.00 C ATOM 422 C TYR A 51 1.351 -4.136 10.173 1.00 0.00 C ATOM 423 O TYR A 51 0.691 -3.367 10.876 1.00 0.00 O ATOM 424 CB TYR A 51 3.499 -2.903 10.536 1.00 0.00 C ATOM 425 CG TYR A 51 3.933 -3.732 11.729 1.00 0.00 C ATOM 426 CD1 TYR A 51 5.014 -4.602 11.640 1.00 0.00 C ATOM 427 CD2 TYR A 51 3.259 -3.646 12.944 1.00 0.00 C ATOM 428 CE1 TYR A 51 5.411 -5.359 12.725 1.00 0.00 C ATOM 429 CE2 TYR A 51 3.652 -4.401 14.033 1.00 0.00 C ATOM 430 CZ TYR A 51 4.727 -5.255 13.918 1.00 0.00 C ATOM 431 OH TYR A 51 5.121 -6.008 15.001 1.00 0.00 O ATOM 0 H TYR A 51 2.119 -1.896 8.571 1.00 0.00 H new ATOM 0 HA TYR A 51 3.214 -4.555 9.201 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.384 -2.516 10.032 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.931 -2.042 10.890 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.552 -4.687 10.707 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.415 -2.978 13.037 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.253 -6.029 12.639 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.119 -4.322 14.969 1.00 0.00 H new ATOM 0 HH TYR A 51 4.536 -5.816 15.763 1.00 0.00 H new ATOM 441 N LEU A 52 0.982 -5.379 9.924 1.00 0.00 N ATOM 442 CA LEU A 52 -0.225 -5.935 10.501 1.00 0.00 C ATOM 443 C LEU A 52 0.123 -6.840 11.678 1.00 0.00 C ATOM 444 O LEU A 52 1.245 -6.799 12.184 1.00 0.00 O ATOM 445 CB LEU A 52 -1.032 -6.694 9.440 1.00 0.00 C ATOM 446 CG LEU A 52 -1.491 -5.854 8.246 1.00 0.00 C ATOM 447 CD1 LEU A 52 -2.332 -6.694 7.300 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.270 -4.630 8.711 1.00 0.00 C ATOM 0 H LEU A 52 1.502 -6.022 9.326 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.846 -5.118 10.870 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.427 -7.522 9.070 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.910 -7.129 9.917 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.606 -5.509 7.711 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.651 -6.082 6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.741 -7.534 6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.209 -7.069 7.828 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.586 -4.049 7.845 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.148 -4.949 9.273 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.635 -4.015 9.349 1.00 0.00 H new ATOM 460 N LYS A 53 -0.828 -7.654 12.115 1.00 0.00 N ATOM 461 CA LYS A 53 -0.626 -8.502 13.284 1.00 0.00 C ATOM 462 C LYS A 53 0.441 -9.557 13.008 1.00 0.00 C ATOM 463 O LYS A 53 1.166 -9.986 13.908 1.00 0.00 O ATOM 464 CB LYS A 53 -1.945 -9.160 13.696 1.00 0.00 C ATOM 465 CG LYS A 53 -3.068 -8.159 13.935 1.00 0.00 C ATOM 466 CD LYS A 53 -2.655 -7.077 14.922 1.00 0.00 C ATOM 467 CE LYS A 53 -3.725 -6.006 15.067 1.00 0.00 C ATOM 468 NZ LYS A 53 -3.287 -4.911 15.970 1.00 0.00 N ATOM 0 H LYS A 53 -1.746 -7.746 11.679 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.278 -7.879 14.108 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.251 -9.861 12.920 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.785 -9.740 14.605 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.353 -7.699 12.989 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.947 -8.681 14.314 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.458 -7.528 15.895 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.724 -6.618 14.589 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.964 -5.595 14.086 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.639 -6.455 15.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.042 -4.200 16.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.083 -5.299 16.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.429 -4.466 15.586 1.00 0.00 H new ATOM 481 N ASP A 54 0.530 -9.964 11.753 1.00 0.00 N ATOM 482 CA ASP A 54 1.571 -10.879 11.311 1.00 0.00 C ATOM 483 C ASP A 54 2.916 -10.157 11.215 1.00 0.00 C ATOM 484 O ASP A 54 3.892 -10.554 11.855 1.00 0.00 O ATOM 485 CB ASP A 54 1.200 -11.514 9.963 1.00 0.00 C ATOM 486 CG ASP A 54 0.501 -10.547 9.023 1.00 0.00 C ATOM 487 OD1 ASP A 54 1.178 -9.684 8.428 1.00 0.00 O ATOM 488 OD2 ASP A 54 -0.737 -10.651 8.884 1.00 0.00 O ATOM 0 H ASP A 54 -0.112 -9.673 11.016 1.00 0.00 H new ATOM 0 HA ASP A 54 1.661 -11.676 12.049 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.104 -11.889 9.483 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.553 -12.373 10.138 1.00 0.00 H new ATOM 493 N GLY A 55 2.958 -9.100 10.420 1.00 0.00 N ATOM 494 CA GLY A 55 4.167 -8.318 10.280 1.00 0.00 C ATOM 495 C GLY A 55 4.112 -7.418 9.066 1.00 0.00 C ATOM 496 O GLY A 55 3.045 -6.909 8.717 1.00 0.00 O ATOM 0 H GLY A 55 2.169 -8.768 9.865 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.315 -7.714 11.175 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.025 -8.985 10.200 1.00 0.00 H new ATOM 500 N TRP A 56 5.251 -7.230 8.416 1.00 0.00 N ATOM 501 CA TRP A 56 5.316 -6.398 7.223 1.00 0.00 C ATOM 502 C TRP A 56 4.892 -7.195 6.000 1.00 0.00 C ATOM 503 O TRP A 56 5.440 -8.267 5.725 1.00 0.00 O ATOM 504 CB TRP A 56 6.730 -5.847 7.017 1.00 0.00 C ATOM 505 CG TRP A 56 7.148 -4.862 8.066 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.995 -5.087 9.109 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.735 -3.495 8.170 1.00 0.00 C ATOM 508 NE1 TRP A 56 8.143 -3.942 9.852 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.379 -2.951 9.297 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.890 -2.677 7.418 1.00 0.00 C ATOM 511 CZ2 TRP A 56 7.199 -1.626 9.688 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.713 -1.366 7.810 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.364 -0.851 8.934 1.00 0.00 C ATOM 0 H TRP A 56 6.142 -7.642 8.694 1.00 0.00 H new ATOM 0 HA TRP A 56 4.633 -5.560 7.359 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.437 -6.677 7.007 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.786 -5.369 6.039 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.479 -6.029 9.321 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.727 -3.845 10.683 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.384 -3.063 6.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.702 -1.226 10.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.059 -0.726 7.237 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.204 0.180 9.212 1.00 0.00 H new ATOM 524 N HIS A 57 3.910 -6.679 5.279 1.00 0.00 N ATOM 525 CA HIS A 57 3.412 -7.344 4.081 1.00 0.00 C ATOM 526 C HIS A 57 3.113 -6.339 2.977 1.00 0.00 C ATOM 527 O HIS A 57 2.703 -5.208 3.242 1.00 0.00 O ATOM 528 CB HIS A 57 2.164 -8.174 4.393 1.00 0.00 C ATOM 529 CG HIS A 57 2.470 -9.589 4.776 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.173 -10.127 6.011 1.00 0.00 N ATOM 531 CD2 HIS A 57 3.043 -10.589 4.063 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.548 -11.391 6.040 1.00 0.00 C ATOM 533 NE2 HIS A 57 3.077 -11.697 4.870 1.00 0.00 N ATOM 0 H HIS A 57 3.440 -5.801 5.501 1.00 0.00 H new ATOM 0 HA HIS A 57 4.196 -8.015 3.730 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.613 -7.697 5.204 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.510 -8.175 3.521 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.732 -9.625 6.782 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.406 -10.525 3.048 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.440 -12.062 6.879 1.00 0.00 H new ATOM 541 N MET A 58 3.332 -6.768 1.739 1.00 0.00 N ATOM 542 CA MET A 58 3.116 -5.926 0.570 1.00 0.00 C ATOM 543 C MET A 58 1.632 -5.846 0.237 1.00 0.00 C ATOM 544 O MET A 58 0.946 -6.867 0.183 1.00 0.00 O ATOM 545 CB MET A 58 3.874 -6.498 -0.632 1.00 0.00 C ATOM 546 CG MET A 58 5.382 -6.572 -0.440 1.00 0.00 C ATOM 547 SD MET A 58 6.199 -7.507 -1.750 1.00 0.00 S ATOM 548 CE MET A 58 5.569 -6.680 -3.208 1.00 0.00 C ATOM 0 H MET A 58 3.663 -7.707 1.519 1.00 0.00 H new ATOM 0 HA MET A 58 3.485 -4.925 0.794 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.496 -7.498 -0.843 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.660 -5.885 -1.508 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.791 -5.562 -0.409 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.600 -7.034 0.523 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.302 -6.751 -4.012 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.639 -7.154 -3.522 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.382 -5.631 -2.979 1.00 0.00 H new ATOM 558 N VAL A 59 1.135 -4.643 0.006 1.00 0.00 N ATOM 559 CA VAL A 59 -0.266 -4.465 -0.337 1.00 0.00 C ATOM 560 C VAL A 59 -0.490 -4.709 -1.826 1.00 0.00 C ATOM 561 O VAL A 59 0.189 -4.122 -2.673 1.00 0.00 O ATOM 562 CB VAL A 59 -0.770 -3.053 0.033 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.244 -2.887 -0.312 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.537 -2.775 1.509 1.00 0.00 C ATOM 0 H VAL A 59 1.677 -3.780 0.049 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.833 -5.195 0.241 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.203 -2.330 -0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.570 -1.883 -0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.386 -3.038 -1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.832 -3.621 0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.898 -1.776 1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.075 -3.511 2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.529 -2.839 1.727 1.00 0.00 H new ATOM 574 N CYS A 60 -1.427 -5.593 -2.138 1.00 0.00 N ATOM 575 CA CYS A 60 -1.802 -5.848 -3.518 1.00 0.00 C ATOM 576 C CYS A 60 -2.767 -4.771 -3.994 1.00 0.00 C ATOM 577 O CYS A 60 -3.681 -4.386 -3.264 1.00 0.00 O ATOM 578 CB CYS A 60 -2.451 -7.230 -3.657 1.00 0.00 C ATOM 579 SG CYS A 60 -3.106 -7.585 -5.321 1.00 0.00 S ATOM 0 H CYS A 60 -1.941 -6.145 -1.452 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.903 -5.827 -4.133 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.716 -7.992 -3.398 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.263 -7.312 -2.934 1.00 0.00 H new ATOM 584 N SER A 61 -2.565 -4.293 -5.215 1.00 0.00 N ATOM 585 CA SER A 61 -3.392 -3.232 -5.778 1.00 0.00 C ATOM 586 C SER A 61 -4.750 -3.758 -6.253 1.00 0.00 C ATOM 587 O SER A 61 -5.518 -3.036 -6.885 1.00 0.00 O ATOM 588 CB SER A 61 -2.638 -2.557 -6.928 1.00 0.00 C ATOM 589 OG SER A 61 -1.960 -3.517 -7.731 1.00 0.00 O ATOM 0 H SER A 61 -1.830 -4.626 -5.839 1.00 0.00 H new ATOM 0 HA SER A 61 -3.592 -2.501 -4.995 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.338 -1.993 -7.544 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.920 -1.843 -6.526 1.00 0.00 H new ATOM 0 HG SER A 61 -1.082 -3.709 -7.340 1.00 0.00 H new ATOM 595 N GLN A 62 -5.041 -5.015 -5.935 1.00 0.00 N ATOM 596 CA GLN A 62 -6.317 -5.628 -6.280 1.00 0.00 C ATOM 597 C GLN A 62 -7.134 -5.846 -5.001 1.00 0.00 C ATOM 598 O GLN A 62 -7.837 -6.846 -4.851 1.00 0.00 O ATOM 599 CB GLN A 62 -6.073 -6.964 -6.995 1.00 0.00 C ATOM 600 CG GLN A 62 -7.261 -7.481 -7.795 1.00 0.00 C ATOM 601 CD GLN A 62 -7.505 -6.687 -9.065 1.00 0.00 C ATOM 602 OE1 GLN A 62 -6.570 -6.164 -9.678 1.00 0.00 O ATOM 603 NE2 GLN A 62 -8.757 -6.605 -9.477 1.00 0.00 N ATOM 0 H GLN A 62 -4.403 -5.633 -5.434 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.873 -4.972 -6.950 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.221 -6.852 -7.666 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.798 -7.713 -6.253 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.092 -8.527 -8.052 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.155 -7.446 -7.173 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.501 -7.052 -8.941 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.980 -6.095 -10.332 1.00 0.00 H new ATOM 612 N SER A 63 -7.024 -4.900 -4.076 1.00 0.00 N ATOM 613 CA SER A 63 -7.658 -5.026 -2.771 1.00 0.00 C ATOM 614 C SER A 63 -8.894 -4.139 -2.647 1.00 0.00 C ATOM 615 O SER A 63 -9.060 -3.170 -3.395 1.00 0.00 O ATOM 616 CB SER A 63 -6.656 -4.661 -1.672 1.00 0.00 C ATOM 617 OG SER A 63 -5.583 -5.586 -1.628 1.00 0.00 O ATOM 0 H SER A 63 -6.500 -4.035 -4.207 1.00 0.00 H new ATOM 0 HA SER A 63 -7.978 -6.062 -2.660 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.268 -3.658 -1.849 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.162 -4.641 -0.707 1.00 0.00 H new ATOM 0 HG SER A 63 -4.845 -5.257 -2.183 1.00 0.00 H new ATOM 623 N TRP A 64 -9.742 -4.488 -1.681 1.00 0.00 N ATOM 624 CA TRP A 64 -10.942 -3.726 -1.332 1.00 0.00 C ATOM 625 C TRP A 64 -11.929 -3.664 -2.492 1.00 0.00 C ATOM 626 O TRP A 64 -12.812 -4.514 -2.610 1.00 0.00 O ATOM 627 CB TRP A 64 -10.579 -2.314 -0.855 1.00 0.00 C ATOM 628 CG TRP A 64 -9.603 -2.310 0.282 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.815 -2.776 1.546 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.262 -1.813 0.255 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.686 -2.603 2.306 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.718 -2.015 1.536 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.465 -1.220 -0.729 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.417 -1.643 1.857 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -6.175 -0.852 -0.407 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.661 -1.065 0.875 1.00 0.00 C ATOM 0 H TRP A 64 -9.613 -5.322 -1.109 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.430 -4.251 -0.511 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -10.158 -1.752 -1.689 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.488 -1.796 -0.548 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.736 -3.217 1.897 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.584 -2.869 3.285 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.852 -1.053 -1.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.018 -1.805 2.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.551 -0.391 -1.159 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.646 -0.767 1.095 1.00 0.00 H new ATOM 647 N GLY A 65 -11.777 -2.658 -3.329 1.00 0.00 N ATOM 648 CA GLY A 65 -12.626 -2.520 -4.494 1.00 0.00 C ATOM 649 C GLY A 65 -11.869 -1.950 -5.671 1.00 0.00 C ATOM 650 O GLY A 65 -12.464 -1.397 -6.595 1.00 0.00 O ATOM 0 H GLY A 65 -11.075 -1.925 -3.224 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.037 -3.493 -4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.470 -1.872 -4.255 1.00 0.00 H new ATOM 654 N ARG A 66 -10.553 -2.097 -5.647 1.00 0.00 N ATOM 655 CA ARG A 66 -9.710 -1.531 -6.683 1.00 0.00 C ATOM 656 C ARG A 66 -9.074 -2.630 -7.511 1.00 0.00 C ATOM 657 O ARG A 66 -8.743 -3.699 -6.998 1.00 0.00 O ATOM 658 CB ARG A 66 -8.608 -0.657 -6.070 1.00 0.00 C ATOM 659 CG ARG A 66 -9.111 0.588 -5.352 1.00 0.00 C ATOM 660 CD ARG A 66 -9.838 1.528 -6.301 1.00 0.00 C ATOM 661 NE ARG A 66 -10.083 2.836 -5.696 1.00 0.00 N ATOM 662 CZ ARG A 66 -11.215 3.164 -5.080 1.00 0.00 C ATOM 663 NH1 ARG A 66 -12.157 2.254 -4.904 1.00 0.00 N ATOM 664 NH2 ARG A 66 -11.398 4.389 -4.616 1.00 0.00 N ATOM 0 H ARG A 66 -10.048 -2.604 -4.920 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.339 -0.914 -7.325 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.034 -1.260 -5.366 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.922 -0.352 -6.861 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.782 0.296 -4.544 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.270 1.110 -4.896 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.248 1.653 -7.209 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.788 1.082 -6.596 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.344 3.537 -5.749 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.015 1.302 -5.240 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.026 2.504 -4.432 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.667 5.092 -4.729 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.270 4.631 -4.145 1.00 0.00 H new ATOM 677 N SER A 67 -8.939 -2.372 -8.796 1.00 0.00 N ATOM 678 CA SER A 67 -8.167 -3.229 -9.663 1.00 0.00 C ATOM 679 C SER A 67 -6.780 -2.632 -9.832 1.00 0.00 C ATOM 680 O SER A 67 -6.573 -1.450 -9.543 1.00 0.00 O ATOM 681 CB SER A 67 -8.857 -3.378 -11.019 1.00 0.00 C ATOM 682 OG SER A 67 -10.137 -3.977 -10.877 1.00 0.00 O ATOM 0 H SER A 67 -9.359 -1.568 -9.263 1.00 0.00 H new ATOM 0 HA SER A 67 -8.085 -4.221 -9.220 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.960 -2.399 -11.488 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.239 -3.985 -11.680 1.00 0.00 H new ATOM 0 HG SER A 67 -10.559 -4.060 -11.758 1.00 0.00 H new ATOM 688 N SER A 68 -5.837 -3.447 -10.273 1.00 0.00 N ATOM 689 CA SER A 68 -4.466 -3.005 -10.461 1.00 0.00 C ATOM 690 C SER A 68 -4.373 -2.025 -11.635 1.00 0.00 C ATOM 691 O SER A 68 -3.972 -2.391 -12.741 1.00 0.00 O ATOM 692 CB SER A 68 -3.565 -4.218 -10.698 1.00 0.00 C ATOM 693 OG SER A 68 -2.206 -3.901 -10.457 1.00 0.00 O ATOM 0 H SER A 68 -5.998 -4.426 -10.509 1.00 0.00 H new ATOM 0 HA SER A 68 -4.132 -2.486 -9.563 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.872 -5.035 -10.045 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.683 -4.567 -11.724 1.00 0.00 H new ATOM 0 HG SER A 68 -2.091 -3.645 -9.518 1.00 0.00 H new ATOM 699 N LYS A 69 -4.751 -0.783 -11.376 1.00 0.00 N ATOM 700 CA LYS A 69 -4.802 0.259 -12.387 1.00 0.00 C ATOM 701 C LYS A 69 -4.500 1.598 -11.718 1.00 0.00 C ATOM 702 O LYS A 69 -4.645 1.725 -10.503 1.00 0.00 O ATOM 703 CB LYS A 69 -6.200 0.256 -13.026 1.00 0.00 C ATOM 704 CG LYS A 69 -6.340 1.104 -14.281 1.00 0.00 C ATOM 705 CD LYS A 69 -7.593 0.710 -15.051 1.00 0.00 C ATOM 706 CE LYS A 69 -7.759 1.507 -16.338 1.00 0.00 C ATOM 707 NZ LYS A 69 -8.380 2.839 -16.104 1.00 0.00 N ATOM 0 H LYS A 69 -5.034 -0.468 -10.448 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.064 0.087 -13.171 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.468 -0.772 -13.270 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.920 0.607 -12.287 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.388 2.159 -14.011 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.462 0.976 -14.914 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.551 -0.353 -15.288 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.467 0.861 -14.418 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.784 1.641 -16.808 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.374 0.940 -17.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.472 3.343 -17.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.322 2.713 -15.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.781 3.393 -15.459 1.00 0.00 H new ATOM 720 N GLN A 70 -4.051 2.581 -12.488 1.00 0.00 N ATOM 721 CA GLN A 70 -3.704 3.883 -11.928 1.00 0.00 C ATOM 722 C GLN A 70 -4.965 4.712 -11.688 1.00 0.00 C ATOM 723 O GLN A 70 -5.609 5.166 -12.633 1.00 0.00 O ATOM 724 CB GLN A 70 -2.752 4.633 -12.863 1.00 0.00 C ATOM 725 CG GLN A 70 -2.205 5.924 -12.272 1.00 0.00 C ATOM 726 CD GLN A 70 -1.330 6.689 -13.246 1.00 0.00 C ATOM 727 OE1 GLN A 70 -1.811 7.537 -13.995 1.00 0.00 O ATOM 728 NE2 GLN A 70 -0.038 6.400 -13.241 1.00 0.00 N ATOM 0 H GLN A 70 -3.919 2.504 -13.496 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.202 3.723 -10.974 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.918 3.979 -13.119 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.274 4.862 -13.792 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.036 6.557 -11.962 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.629 5.693 -11.376 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.323 5.690 -12.604 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.596 6.888 -13.874 1.00 0.00 H new ATOM 737 N TRP A 71 -5.313 4.901 -10.423 1.00 0.00 N ATOM 738 CA TRP A 71 -6.521 5.637 -10.067 1.00 0.00 C ATOM 739 C TRP A 71 -6.215 7.120 -9.878 1.00 0.00 C ATOM 740 O TRP A 71 -5.051 7.523 -9.825 1.00 0.00 O ATOM 741 CB TRP A 71 -7.155 5.040 -8.807 1.00 0.00 C ATOM 742 CG TRP A 71 -7.505 3.593 -8.974 1.00 0.00 C ATOM 743 CD1 TRP A 71 -6.811 2.522 -8.495 1.00 0.00 C ATOM 744 CD2 TRP A 71 -8.624 3.058 -9.691 1.00 0.00 C ATOM 745 NE1 TRP A 71 -7.430 1.353 -8.865 1.00 0.00 N ATOM 746 CE2 TRP A 71 -8.546 1.656 -9.599 1.00 0.00 C ATOM 747 CE3 TRP A 71 -9.689 3.629 -10.398 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -9.488 0.819 -10.190 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -10.623 2.794 -10.982 1.00 0.00 C ATOM 750 CH2 TRP A 71 -10.517 1.404 -10.875 1.00 0.00 C ATOM 0 H TRP A 71 -4.778 4.556 -9.626 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.236 5.547 -10.884 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.466 5.150 -7.970 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.054 5.602 -8.555 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.906 2.584 -7.909 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -7.111 0.413 -8.631 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.779 4.702 -10.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.409 -0.255 -10.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.449 3.223 -11.530 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.263 0.779 -11.343 1.00 0.00 H new ATOM 761 N GLU A 72 -7.262 7.927 -9.766 1.00 0.00 N ATOM 762 CA GLU A 72 -7.116 9.378 -9.789 1.00 0.00 C ATOM 763 C GLU A 72 -7.221 9.980 -8.393 1.00 0.00 C ATOM 764 O GLU A 72 -7.584 11.146 -8.239 1.00 0.00 O ATOM 765 CB GLU A 72 -8.181 9.995 -10.697 1.00 0.00 C ATOM 766 CG GLU A 72 -8.083 9.559 -12.149 1.00 0.00 C ATOM 767 CD GLU A 72 -9.221 10.101 -12.987 1.00 0.00 C ATOM 768 OE1 GLU A 72 -9.133 11.261 -13.437 1.00 0.00 O ATOM 769 OE2 GLU A 72 -10.211 9.371 -13.193 1.00 0.00 O ATOM 0 H GLU A 72 -8.223 7.602 -9.658 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.123 9.603 -10.177 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.167 9.731 -10.315 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.101 11.081 -10.648 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.134 9.898 -12.565 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.083 8.470 -12.200 1.00 0.00 H new ATOM 776 N ASP A 73 -6.920 9.190 -7.375 1.00 0.00 N ATOM 777 CA ASP A 73 -6.929 9.694 -6.006 1.00 0.00 C ATOM 778 C ASP A 73 -5.820 9.050 -5.189 1.00 0.00 C ATOM 779 O ASP A 73 -6.029 8.031 -4.529 1.00 0.00 O ATOM 780 CB ASP A 73 -8.279 9.437 -5.327 1.00 0.00 C ATOM 781 CG ASP A 73 -8.427 10.182 -4.004 1.00 0.00 C ATOM 782 OD1 ASP A 73 -7.402 10.498 -3.359 1.00 0.00 O ATOM 783 OD2 ASP A 73 -9.581 10.458 -3.601 1.00 0.00 O ATOM 0 H ASP A 73 -6.668 8.206 -7.466 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.762 10.770 -6.054 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.082 9.738 -6.000 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.394 8.367 -5.151 1.00 0.00 H new ATOM 788 N PRO A 74 -4.612 9.620 -5.238 1.00 0.00 N ATOM 789 CA PRO A 74 -3.510 9.167 -4.409 1.00 0.00 C ATOM 790 C PRO A 74 -3.509 9.848 -3.047 1.00 0.00 C ATOM 791 O PRO A 74 -2.808 9.433 -2.126 1.00 0.00 O ATOM 792 CB PRO A 74 -2.293 9.579 -5.227 1.00 0.00 C ATOM 793 CG PRO A 74 -2.715 10.822 -5.936 1.00 0.00 C ATOM 794 CD PRO A 74 -4.211 10.728 -6.129 1.00 0.00 C ATOM 0 HA PRO A 74 -3.552 8.101 -4.188 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.430 9.762 -4.587 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.007 8.799 -5.932 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.455 11.706 -5.354 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.206 10.911 -6.896 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.709 11.659 -5.858 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.468 10.519 -7.167 1.00 0.00 H new ATOM 802 N SER A 75 -4.341 10.876 -2.918 1.00 0.00 N ATOM 803 CA SER A 75 -4.377 11.699 -1.720 1.00 0.00 C ATOM 804 C SER A 75 -5.038 10.975 -0.547 1.00 0.00 C ATOM 805 O SER A 75 -5.125 11.509 0.559 1.00 0.00 O ATOM 806 CB SER A 75 -5.090 13.019 -2.019 1.00 0.00 C ATOM 807 OG SER A 75 -6.344 12.808 -2.657 1.00 0.00 O ATOM 0 H SER A 75 -5.005 11.159 -3.638 1.00 0.00 H new ATOM 0 HA SER A 75 -3.349 11.907 -1.423 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.242 13.569 -1.090 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.458 13.638 -2.655 1.00 0.00 H new ATOM 0 HG SER A 75 -6.607 11.869 -2.559 1.00 0.00 H new ATOM 813 N GLN A 76 -5.494 9.756 -0.787 1.00 0.00 N ATOM 814 CA GLN A 76 -6.045 8.925 0.272 1.00 0.00 C ATOM 815 C GLN A 76 -4.934 8.408 1.178 1.00 0.00 C ATOM 816 O GLN A 76 -5.175 8.023 2.320 1.00 0.00 O ATOM 817 CB GLN A 76 -6.821 7.752 -0.330 1.00 0.00 C ATOM 818 CG GLN A 76 -8.100 8.171 -1.039 1.00 0.00 C ATOM 819 CD GLN A 76 -9.187 8.614 -0.079 1.00 0.00 C ATOM 820 OE1 GLN A 76 -8.914 9.111 1.014 1.00 0.00 O ATOM 821 NE2 GLN A 76 -10.432 8.443 -0.488 1.00 0.00 N ATOM 0 H GLN A 76 -5.493 9.319 -1.709 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.726 9.531 0.870 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.179 7.226 -1.037 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.069 7.046 0.462 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.877 8.985 -1.729 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.468 7.338 -1.637 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.616 8.027 -1.401 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.209 8.727 0.109 1.00 0.00 H new ATOM 830 N ALA A 77 -3.710 8.434 0.673 1.00 0.00 N ATOM 831 CA ALA A 77 -2.580 7.869 1.396 1.00 0.00 C ATOM 832 C ALA A 77 -1.701 8.957 2.006 1.00 0.00 C ATOM 833 O ALA A 77 -0.525 8.731 2.297 1.00 0.00 O ATOM 834 CB ALA A 77 -1.764 6.990 0.465 1.00 0.00 C ATOM 0 H ALA A 77 -3.474 8.839 -0.233 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.969 7.266 2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.919 6.569 1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.390 6.182 0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.396 7.587 -0.370 1.00 0.00 H new ATOM 840 N SER A 78 -2.280 10.134 2.206 1.00 0.00 N ATOM 841 CA SER A 78 -1.553 11.268 2.772 1.00 0.00 C ATOM 842 C SER A 78 -0.974 10.937 4.150 1.00 0.00 C ATOM 843 O SER A 78 0.129 11.368 4.490 1.00 0.00 O ATOM 844 CB SER A 78 -2.480 12.479 2.865 1.00 0.00 C ATOM 845 OG SER A 78 -3.024 12.790 1.594 1.00 0.00 O ATOM 0 H SER A 78 -3.256 10.331 1.984 1.00 0.00 H new ATOM 0 HA SER A 78 -0.717 11.498 2.112 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.285 12.274 3.571 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.929 13.337 3.250 1.00 0.00 H new ATOM 0 HG SER A 78 -3.841 12.268 1.451 1.00 0.00 H new ATOM 851 N LYS A 79 -1.713 10.150 4.926 1.00 0.00 N ATOM 852 CA LYS A 79 -1.287 9.780 6.271 1.00 0.00 C ATOM 853 C LYS A 79 -0.028 8.912 6.227 1.00 0.00 C ATOM 854 O LYS A 79 0.792 8.944 7.147 1.00 0.00 O ATOM 855 CB LYS A 79 -2.420 9.047 6.996 1.00 0.00 C ATOM 856 CG LYS A 79 -2.116 8.712 8.447 1.00 0.00 C ATOM 857 CD LYS A 79 -1.820 9.960 9.260 1.00 0.00 C ATOM 858 CE LYS A 79 -1.681 9.640 10.738 1.00 0.00 C ATOM 859 NZ LYS A 79 -1.355 10.851 11.537 1.00 0.00 N ATOM 0 H LYS A 79 -2.611 9.756 4.646 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.047 10.691 6.820 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.319 9.662 6.957 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.642 8.124 6.460 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.964 8.185 8.884 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.262 8.036 8.494 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.901 10.422 8.898 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.620 10.687 9.117 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.610 9.202 11.104 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.900 8.892 10.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.268 10.592 12.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.456 11.255 11.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.113 11.555 11.426 1.00 0.00 H new ATOM 872 N VAL A 80 0.130 8.153 5.147 1.00 0.00 N ATOM 873 CA VAL A 80 1.318 7.331 4.964 1.00 0.00 C ATOM 874 C VAL A 80 2.529 8.225 4.732 1.00 0.00 C ATOM 875 O VAL A 80 3.571 8.052 5.362 1.00 0.00 O ATOM 876 CB VAL A 80 1.165 6.346 3.782 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.450 5.556 3.562 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.004 5.401 4.018 1.00 0.00 C ATOM 0 H VAL A 80 -0.549 8.091 4.388 1.00 0.00 H new ATOM 0 HA VAL A 80 1.455 6.742 5.871 1.00 0.00 H new ATOM 0 HB VAL A 80 0.964 6.928 2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.317 4.870 2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.267 6.244 3.341 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.687 4.989 4.462 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.094 4.716 3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.167 4.831 4.931 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.924 5.978 4.117 1.00 0.00 H new ATOM 888 N CYS A 81 2.370 9.200 3.844 1.00 0.00 N ATOM 889 CA CYS A 81 3.428 10.166 3.573 1.00 0.00 C ATOM 890 C CYS A 81 3.791 10.936 4.842 1.00 0.00 C ATOM 891 O CYS A 81 4.961 11.204 5.101 1.00 0.00 O ATOM 892 CB CYS A 81 2.994 11.140 2.475 1.00 0.00 C ATOM 893 SG CYS A 81 2.503 10.341 0.910 1.00 0.00 S ATOM 0 H CYS A 81 1.519 9.342 3.300 1.00 0.00 H new ATOM 0 HA CYS A 81 4.308 9.621 3.232 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.158 11.735 2.843 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.813 11.831 2.275 1.00 0.00 H new ATOM 898 N GLN A 82 2.779 11.272 5.636 1.00 0.00 N ATOM 899 CA GLN A 82 2.986 11.979 6.897 1.00 0.00 C ATOM 900 C GLN A 82 3.761 11.106 7.885 1.00 0.00 C ATOM 901 O GLN A 82 4.585 11.603 8.652 1.00 0.00 O ATOM 902 CB GLN A 82 1.638 12.399 7.491 1.00 0.00 C ATOM 903 CG GLN A 82 1.728 13.166 8.806 1.00 0.00 C ATOM 904 CD GLN A 82 2.477 14.487 8.696 1.00 0.00 C ATOM 905 OE1 GLN A 82 3.411 14.633 7.909 1.00 0.00 O ATOM 906 NE2 GLN A 82 2.064 15.463 9.483 1.00 0.00 N ATOM 0 H GLN A 82 1.802 11.065 5.428 1.00 0.00 H new ATOM 0 HA GLN A 82 3.576 12.874 6.702 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.113 13.016 6.762 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.033 11.506 7.648 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.720 13.360 9.173 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.222 12.539 9.548 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.286 15.307 10.124 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.523 16.373 9.450 1.00 0.00 H new ATOM 915 N ARG A 83 3.506 9.804 7.850 1.00 0.00 N ATOM 916 CA ARG A 83 4.216 8.861 8.712 1.00 0.00 C ATOM 917 C ARG A 83 5.687 8.755 8.322 1.00 0.00 C ATOM 918 O ARG A 83 6.528 8.369 9.134 1.00 0.00 O ATOM 919 CB ARG A 83 3.556 7.479 8.664 1.00 0.00 C ATOM 920 CG ARG A 83 2.628 7.198 9.838 1.00 0.00 C ATOM 921 CD ARG A 83 3.416 6.967 11.120 1.00 0.00 C ATOM 922 NE ARG A 83 2.551 6.674 12.263 1.00 0.00 N ATOM 923 CZ ARG A 83 2.984 6.103 13.384 1.00 0.00 C ATOM 924 NH1 ARG A 83 4.250 5.726 13.488 1.00 0.00 N ATOM 925 NH2 ARG A 83 2.164 5.902 14.402 1.00 0.00 N ATOM 0 H ARG A 83 2.814 9.375 7.235 1.00 0.00 H new ATOM 0 HA ARG A 83 4.160 9.241 9.732 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.990 7.389 7.737 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.334 6.716 8.638 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.945 8.037 9.974 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.017 6.322 9.621 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.110 6.140 10.972 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.015 7.851 11.339 1.00 0.00 H new ATOM 0 HE ARG A 83 1.563 6.921 12.197 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.892 5.874 12.709 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.583 5.288 14.347 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.187 6.186 14.333 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.509 5.463 15.256 1.00 0.00 H new ATOM 938 N LEU A 84 5.991 9.096 7.078 1.00 0.00 N ATOM 939 CA LEU A 84 7.370 9.095 6.603 1.00 0.00 C ATOM 940 C LEU A 84 7.944 10.514 6.573 1.00 0.00 C ATOM 941 O LEU A 84 9.040 10.743 6.060 1.00 0.00 O ATOM 942 CB LEU A 84 7.470 8.454 5.214 1.00 0.00 C ATOM 943 CG LEU A 84 7.530 6.920 5.189 1.00 0.00 C ATOM 944 CD1 LEU A 84 6.251 6.299 5.728 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.801 6.425 3.781 1.00 0.00 C ATOM 0 H LEU A 84 5.303 9.377 6.379 1.00 0.00 H new ATOM 0 HA LEU A 84 7.959 8.501 7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.612 8.775 4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.360 8.842 4.719 1.00 0.00 H new ATOM 0 HG LEU A 84 8.349 6.612 5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.332 5.213 5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.097 6.620 6.758 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.406 6.619 5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.841 5.336 3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.003 6.760 3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.754 6.823 3.432 1.00 0.00 H new ATOM 957 N ASN A 85 7.184 11.452 7.151 1.00 0.00 N ATOM 958 CA ASN A 85 7.558 12.871 7.208 1.00 0.00 C ATOM 959 C ASN A 85 7.794 13.435 5.806 1.00 0.00 C ATOM 960 O ASN A 85 8.795 14.105 5.536 1.00 0.00 O ATOM 961 CB ASN A 85 8.793 13.091 8.089 1.00 0.00 C ATOM 962 CG ASN A 85 9.046 14.565 8.359 1.00 0.00 C ATOM 963 OD1 ASN A 85 8.113 15.368 8.414 1.00 0.00 O ATOM 964 ND2 ASN A 85 10.305 14.934 8.520 1.00 0.00 N ATOM 0 H ASN A 85 6.288 11.248 7.594 1.00 0.00 H new ATOM 0 HA ASN A 85 6.723 13.408 7.659 1.00 0.00 H new ATOM 0 HB2 ASN A 85 8.661 12.567 9.035 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.667 12.656 7.603 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.531 15.913 8.697 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.051 14.240 8.468 1.00 0.00 H new ATOM 971 N CYS A 86 6.859 13.165 4.916 1.00 0.00 N ATOM 972 CA CYS A 86 6.964 13.613 3.541 1.00 0.00 C ATOM 973 C CYS A 86 5.831 14.566 3.199 1.00 0.00 C ATOM 974 O CYS A 86 4.973 14.845 4.040 1.00 0.00 O ATOM 975 CB CYS A 86 6.946 12.407 2.604 1.00 0.00 C ATOM 976 SG CYS A 86 8.262 11.204 2.956 1.00 0.00 S ATOM 0 H CYS A 86 6.013 12.634 5.122 1.00 0.00 H new ATOM 0 HA CYS A 86 7.906 14.148 3.416 1.00 0.00 H new ATOM 0 HB2 CYS A 86 5.979 11.910 2.681 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.045 12.753 1.575 1.00 0.00 H new ATOM 981 N GLY A 87 5.839 15.069 1.977 1.00 0.00 N ATOM 982 CA GLY A 87 4.784 15.952 1.534 1.00 0.00 C ATOM 983 C GLY A 87 3.549 15.191 1.100 1.00 0.00 C ATOM 984 O GLY A 87 3.288 14.088 1.579 1.00 0.00 O ATOM 0 H GLY A 87 6.560 14.881 1.281 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.522 16.637 2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.145 16.560 0.704 1.00 0.00 H new ATOM 988 N ASP A 88 2.795 15.775 0.189 1.00 0.00 N ATOM 989 CA ASP A 88 1.582 15.152 -0.313 1.00 0.00 C ATOM 990 C ASP A 88 1.908 14.050 -1.314 1.00 0.00 C ATOM 991 O ASP A 88 2.953 14.075 -1.971 1.00 0.00 O ATOM 992 CB ASP A 88 0.657 16.201 -0.944 1.00 0.00 C ATOM 993 CG ASP A 88 1.368 17.128 -1.905 1.00 0.00 C ATOM 994 OD1 ASP A 88 1.958 18.129 -1.438 1.00 0.00 O ATOM 995 OD2 ASP A 88 1.320 16.882 -3.128 1.00 0.00 O ATOM 0 H ASP A 88 3.001 16.686 -0.222 1.00 0.00 H new ATOM 0 HA ASP A 88 1.062 14.698 0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.150 15.693 -1.471 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.198 16.793 -0.152 1.00 0.00 H new ATOM 1000 N PRO A 89 1.028 13.044 -1.408 1.00 0.00 N ATOM 1001 CA PRO A 89 1.205 11.920 -2.321 1.00 0.00 C ATOM 1002 C PRO A 89 0.927 12.303 -3.774 1.00 0.00 C ATOM 1003 O PRO A 89 -0.181 12.715 -4.126 1.00 0.00 O ATOM 1004 CB PRO A 89 0.193 10.890 -1.825 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.856 11.667 -1.109 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.208 12.931 -0.614 1.00 0.00 C ATOM 0 HA PRO A 89 2.231 11.552 -2.321 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.234 10.329 -2.656 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.665 10.166 -1.161 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.688 11.896 -1.775 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.262 11.091 -0.278 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.856 13.795 -0.763 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.009 12.875 0.453 1.00 0.00 H new ATOM 1014 N LEU A 90 1.943 12.148 -4.611 1.00 0.00 N ATOM 1015 CA LEU A 90 1.870 12.547 -6.010 1.00 0.00 C ATOM 1016 C LEU A 90 1.108 11.502 -6.820 1.00 0.00 C ATOM 1017 O LEU A 90 0.195 11.831 -7.577 1.00 0.00 O ATOM 1018 CB LEU A 90 3.289 12.728 -6.568 1.00 0.00 C ATOM 1019 CG LEU A 90 3.450 13.791 -7.663 1.00 0.00 C ATOM 1020 CD1 LEU A 90 4.923 14.034 -7.950 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.731 13.381 -8.940 1.00 0.00 C ATOM 0 H LEU A 90 2.839 11.743 -4.341 1.00 0.00 H new ATOM 0 HA LEU A 90 1.335 13.494 -6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.953 12.982 -5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.627 11.771 -6.966 1.00 0.00 H new ATOM 0 HG LEU A 90 2.999 14.715 -7.301 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.022 14.790 -8.729 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.418 14.380 -7.043 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.386 13.106 -8.285 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.864 14.154 -9.697 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.145 12.441 -9.305 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.668 13.253 -8.734 1.00 0.00 H new ATOM 1033 N SER A 91 1.473 10.243 -6.643 1.00 0.00 N ATOM 1034 CA SER A 91 0.868 9.169 -7.410 1.00 0.00 C ATOM 1035 C SER A 91 0.735 7.899 -6.578 1.00 0.00 C ATOM 1036 O SER A 91 1.502 7.674 -5.637 1.00 0.00 O ATOM 1037 CB SER A 91 1.701 8.897 -8.662 1.00 0.00 C ATOM 1038 OG SER A 91 3.055 8.647 -8.328 1.00 0.00 O ATOM 0 H SER A 91 2.184 9.941 -5.976 1.00 0.00 H new ATOM 0 HA SER A 91 -0.135 9.480 -7.702 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.291 8.040 -9.197 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.641 9.752 -9.336 1.00 0.00 H new ATOM 0 HG SER A 91 3.567 8.474 -9.146 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.255 7.085 -6.921 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.460 5.797 -6.277 1.00 0.00 C ATOM 1046 C LEU A 92 -1.031 4.816 -7.297 1.00 0.00 C ATOM 1047 O LEU A 92 -1.897 5.177 -8.096 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.404 5.938 -5.072 1.00 0.00 C ATOM 1049 CG LEU A 92 -1.641 4.658 -4.254 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -1.829 4.993 -2.784 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -2.865 3.905 -4.762 1.00 0.00 C ATOM 0 H LEU A 92 -0.935 7.299 -7.650 1.00 0.00 H new ATOM 0 HA LEU A 92 0.494 5.420 -5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.002 6.702 -4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.367 6.302 -5.430 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.763 4.023 -4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.996 4.075 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.937 5.493 -2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.690 5.651 -2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.011 3.004 -4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.745 4.542 -4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.716 3.630 -5.806 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.532 3.591 -7.281 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.007 2.587 -8.216 1.00 0.00 C ATOM 1065 C GLY A 93 -0.009 1.460 -8.387 1.00 0.00 C ATOM 1066 O GLY A 93 0.756 1.180 -7.470 1.00 0.00 O ATOM 0 H GLY A 93 0.193 3.271 -6.639 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.956 2.182 -7.864 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.199 3.052 -9.183 1.00 0.00 H new ATOM 1070 N PRO A 94 0.008 0.784 -9.545 1.00 0.00 N ATOM 1071 CA PRO A 94 0.980 -0.277 -9.831 1.00 0.00 C ATOM 1072 C PRO A 94 2.391 0.284 -10.006 1.00 0.00 C ATOM 1073 O PRO A 94 2.753 0.744 -11.091 1.00 0.00 O ATOM 1074 CB PRO A 94 0.484 -0.893 -11.150 1.00 0.00 C ATOM 1075 CG PRO A 94 -0.886 -0.340 -11.366 1.00 0.00 C ATOM 1076 CD PRO A 94 -0.917 0.987 -10.666 1.00 0.00 C ATOM 0 HA PRO A 94 1.045 -0.999 -9.017 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.146 -0.633 -11.976 1.00 0.00 H new ATOM 0 HB3 PRO A 94 0.462 -1.981 -11.090 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -1.096 -0.224 -12.429 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.645 -1.011 -10.963 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -0.590 1.796 -11.319 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -1.920 1.240 -10.322 1.00 0.00 H new ATOM 1084 N PHE A 95 3.184 0.251 -8.942 1.00 0.00 N ATOM 1085 CA PHE A 95 4.524 0.823 -8.984 1.00 0.00 C ATOM 1086 C PHE A 95 5.505 -0.167 -9.592 1.00 0.00 C ATOM 1087 O PHE A 95 6.353 0.202 -10.403 1.00 0.00 O ATOM 1088 CB PHE A 95 4.985 1.228 -7.579 1.00 0.00 C ATOM 1089 CG PHE A 95 6.250 2.046 -7.563 1.00 0.00 C ATOM 1090 CD1 PHE A 95 6.213 3.401 -7.848 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.471 1.461 -7.260 1.00 0.00 C ATOM 1092 CE1 PHE A 95 7.369 4.159 -7.834 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.630 2.214 -7.245 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.579 3.565 -7.532 1.00 0.00 C ATOM 0 H PHE A 95 2.925 -0.162 -8.046 1.00 0.00 H new ATOM 0 HA PHE A 95 4.494 1.716 -9.609 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.190 1.797 -7.097 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.139 0.328 -6.984 1.00 0.00 H new ATOM 0 HD1 PHE A 95 5.270 3.871 -8.084 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.516 0.406 -7.033 1.00 0.00 H new ATOM 0 HE1 PHE A 95 7.326 5.214 -8.059 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.575 1.747 -7.009 1.00 0.00 H new ATOM 0 HZ PHE A 95 9.483 4.155 -7.520 1.00 0.00 H new ATOM 1104 N LEU A 96 5.370 -1.431 -9.212 1.00 0.00 N ATOM 1105 CA LEU A 96 6.278 -2.470 -9.682 1.00 0.00 C ATOM 1106 C LEU A 96 5.522 -3.733 -10.065 1.00 0.00 C ATOM 1107 O LEU A 96 4.455 -4.032 -9.519 1.00 0.00 O ATOM 1108 CB LEU A 96 7.325 -2.799 -8.613 1.00 0.00 C ATOM 1109 CG LEU A 96 8.371 -1.705 -8.366 1.00 0.00 C ATOM 1110 CD1 LEU A 96 9.316 -2.108 -7.246 1.00 0.00 C ATOM 1111 CD2 LEU A 96 9.156 -1.419 -9.636 1.00 0.00 C ATOM 0 H LEU A 96 4.641 -1.762 -8.580 1.00 0.00 H new ATOM 0 HA LEU A 96 6.782 -2.086 -10.569 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.810 -3.006 -7.675 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.841 -3.714 -8.902 1.00 0.00 H new ATOM 0 HG LEU A 96 7.847 -0.797 -8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.050 -1.318 -7.087 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.748 -2.265 -6.329 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.829 -3.031 -7.517 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.893 -0.640 -9.441 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.665 -2.326 -9.962 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.474 -1.085 -10.418 1.00 0.00 H new ATOM 1123 N LYS A 97 6.083 -4.475 -11.010 1.00 0.00 N ATOM 1124 CA LYS A 97 5.504 -5.737 -11.443 1.00 0.00 C ATOM 1125 C LYS A 97 6.284 -6.896 -10.832 1.00 0.00 C ATOM 1126 O LYS A 97 6.663 -7.842 -11.520 1.00 0.00 O ATOM 1127 CB LYS A 97 5.508 -5.841 -12.975 1.00 0.00 C ATOM 1128 CG LYS A 97 4.727 -4.734 -13.673 1.00 0.00 C ATOM 1129 CD LYS A 97 4.840 -4.842 -15.188 1.00 0.00 C ATOM 1130 CE LYS A 97 4.139 -6.080 -15.733 1.00 0.00 C ATOM 1131 NZ LYS A 97 2.656 -5.965 -15.658 1.00 0.00 N ATOM 0 H LYS A 97 6.944 -4.221 -11.494 1.00 0.00 H new ATOM 0 HA LYS A 97 4.469 -5.782 -11.104 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.539 -5.822 -13.328 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.090 -6.805 -13.265 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.678 -4.787 -13.381 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.100 -3.763 -13.347 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.409 -3.952 -15.647 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.892 -4.869 -15.471 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.438 -6.238 -16.769 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.463 -6.956 -15.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.220 -6.726 -16.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.351 -6.045 -14.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.360 -5.043 -16.038 1.00 0.00 H new ATOM 1144 N THR A 98 6.539 -6.798 -9.535 1.00 0.00 N ATOM 1145 CA THR A 98 7.276 -7.827 -8.819 1.00 0.00 C ATOM 1146 C THR A 98 6.378 -9.032 -8.533 1.00 0.00 C ATOM 1147 O THR A 98 6.831 -10.179 -8.575 1.00 0.00 O ATOM 1148 CB THR A 98 7.843 -7.272 -7.494 1.00 0.00 C ATOM 1149 OG1 THR A 98 8.391 -5.963 -7.708 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.928 -8.178 -6.933 1.00 0.00 C ATOM 0 H THR A 98 6.244 -6.012 -8.956 1.00 0.00 H new ATOM 0 HA THR A 98 8.106 -8.146 -9.450 1.00 0.00 H new ATOM 0 HB THR A 98 7.024 -7.224 -6.776 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.143 -5.378 -6.962 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.306 -7.759 -6.000 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.513 -9.168 -6.744 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.743 -8.257 -7.652 1.00 0.00 H new ATOM 1158 N TYR A 99 5.096 -8.745 -8.283 1.00 0.00 N ATOM 1159 CA TYR A 99 4.083 -9.759 -7.968 1.00 0.00 C ATOM 1160 C TYR A 99 4.341 -10.382 -6.596 1.00 0.00 C ATOM 1161 O TYR A 99 3.642 -10.065 -5.633 1.00 0.00 O ATOM 1162 CB TYR A 99 3.998 -10.843 -9.061 1.00 0.00 C ATOM 1163 CG TYR A 99 3.534 -10.327 -10.410 1.00 0.00 C ATOM 1164 CD1 TYR A 99 2.180 -10.194 -10.703 1.00 0.00 C ATOM 1165 CD2 TYR A 99 4.452 -9.971 -11.391 1.00 0.00 C ATOM 1166 CE1 TYR A 99 1.759 -9.723 -11.933 1.00 0.00 C ATOM 1167 CE2 TYR A 99 4.037 -9.499 -12.621 1.00 0.00 C ATOM 1168 CZ TYR A 99 2.692 -9.377 -12.887 1.00 0.00 C ATOM 1169 OH TYR A 99 2.277 -8.902 -14.111 1.00 0.00 O ATOM 0 H TYR A 99 4.729 -7.794 -8.294 1.00 0.00 H new ATOM 0 HA TYR A 99 3.117 -9.255 -7.937 1.00 0.00 H new ATOM 0 HB2 TYR A 99 4.979 -11.304 -9.178 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.316 -11.626 -8.729 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.446 -10.463 -9.958 1.00 0.00 H new ATOM 0 HD2 TYR A 99 5.509 -10.065 -11.188 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.704 -9.627 -12.145 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.765 -9.227 -13.371 1.00 0.00 H new ATOM 0 HH TYR A 99 1.861 -8.022 -13.996 1.00 0.00 H new ATOM 1179 N THR A 100 5.369 -11.228 -6.519 1.00 0.00 N ATOM 1180 CA THR A 100 5.728 -11.952 -5.299 1.00 0.00 C ATOM 1181 C THR A 100 4.499 -12.498 -4.564 1.00 0.00 C ATOM 1182 O THR A 100 4.099 -11.969 -3.519 1.00 0.00 O ATOM 1183 CB THR A 100 6.554 -11.059 -4.353 1.00 0.00 C ATOM 1184 OG1 THR A 100 7.615 -10.434 -5.088 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.147 -11.873 -3.210 1.00 0.00 C ATOM 0 H THR A 100 5.981 -11.432 -7.309 1.00 0.00 H new ATOM 0 HA THR A 100 6.334 -12.804 -5.607 1.00 0.00 H new ATOM 0 HB THR A 100 5.892 -10.302 -3.933 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.139 -9.865 -4.486 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.725 -11.218 -2.558 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.343 -12.337 -2.638 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.798 -12.648 -3.615 1.00 0.00 H new ATOM 1193 N PRO A 101 3.878 -13.564 -5.105 1.00 0.00 N ATOM 1194 CA PRO A 101 2.711 -14.196 -4.483 1.00 0.00 C ATOM 1195 C PRO A 101 3.090 -14.970 -3.221 1.00 0.00 C ATOM 1196 O PRO A 101 2.965 -16.194 -3.158 1.00 0.00 O ATOM 1197 CB PRO A 101 2.193 -15.139 -5.573 1.00 0.00 C ATOM 1198 CG PRO A 101 3.386 -15.454 -6.406 1.00 0.00 C ATOM 1199 CD PRO A 101 4.262 -14.232 -6.364 1.00 0.00 C ATOM 0 HA PRO A 101 1.968 -13.469 -4.156 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.763 -16.043 -5.142 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.411 -14.665 -6.166 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.914 -16.325 -6.017 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.095 -15.689 -7.430 1.00 0.00 H new ATOM 0 HD2 PRO A 101 5.319 -14.498 -6.369 1.00 0.00 H new ATOM 0 HD3 PRO A 101 4.091 -13.588 -7.227 1.00 0.00 H new ATOM 1207 N GLN A 102 3.560 -14.233 -2.225 1.00 0.00 N ATOM 1208 CA GLN A 102 3.994 -14.804 -0.961 1.00 0.00 C ATOM 1209 C GLN A 102 4.157 -13.697 0.074 1.00 0.00 C ATOM 1210 O GLN A 102 3.955 -13.909 1.268 1.00 0.00 O ATOM 1211 CB GLN A 102 5.322 -15.549 -1.138 1.00 0.00 C ATOM 1212 CG GLN A 102 5.741 -16.344 0.086 1.00 0.00 C ATOM 1213 CD GLN A 102 4.786 -17.480 0.390 1.00 0.00 C ATOM 1214 OE1 GLN A 102 4.187 -18.060 -0.514 1.00 0.00 O ATOM 1215 NE2 GLN A 102 4.632 -17.804 1.661 1.00 0.00 N ATOM 0 H GLN A 102 3.651 -13.218 -2.272 1.00 0.00 H new ATOM 0 HA GLN A 102 3.239 -15.512 -0.619 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.239 -16.225 -1.989 1.00 0.00 H new ATOM 0 HB3 GLN A 102 6.104 -14.829 -1.378 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.742 -16.746 -0.070 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.796 -15.678 0.947 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.147 -17.299 2.382 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.998 -18.559 1.922 1.00 0.00 H new ATOM 1224 N SER A 103 4.533 -12.515 -0.391 1.00 0.00 N ATOM 1225 CA SER A 103 4.695 -11.374 0.493 1.00 0.00 C ATOM 1226 C SER A 103 3.567 -10.367 0.291 1.00 0.00 C ATOM 1227 O SER A 103 3.426 -9.417 1.058 1.00 0.00 O ATOM 1228 CB SER A 103 6.052 -10.714 0.245 1.00 0.00 C ATOM 1229 OG SER A 103 7.108 -11.645 0.425 1.00 0.00 O ATOM 0 H SER A 103 4.731 -12.323 -1.373 1.00 0.00 H new ATOM 0 HA SER A 103 4.653 -11.724 1.525 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.085 -10.311 -0.767 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.182 -9.874 0.927 1.00 0.00 H new ATOM 0 HG SER A 103 7.966 -11.202 0.260 1.00 0.00 H new ATOM 1235 N SER A 104 2.756 -10.588 -0.734 1.00 0.00 N ATOM 1236 CA SER A 104 1.657 -9.690 -1.047 1.00 0.00 C ATOM 1237 C SER A 104 0.355 -10.182 -0.406 1.00 0.00 C ATOM 1238 O SER A 104 0.169 -11.382 -0.193 1.00 0.00 O ATOM 1239 CB SER A 104 1.514 -9.568 -2.567 1.00 0.00 C ATOM 1240 OG SER A 104 1.543 -10.845 -3.183 1.00 0.00 O ATOM 0 H SER A 104 2.840 -11.385 -1.364 1.00 0.00 H new ATOM 0 HA SER A 104 1.871 -8.704 -0.635 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.578 -9.065 -2.809 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.320 -8.950 -2.964 1.00 0.00 H new ATOM 0 HG SER A 104 2.473 -11.130 -3.301 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.525 -9.243 -0.067 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.806 -9.569 0.552 1.00 0.00 C ATOM 1248 C ILE A 105 -2.952 -8.830 -0.135 1.00 0.00 C ATOM 1249 O ILE A 105 -2.776 -7.710 -0.624 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.827 -9.214 2.059 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.424 -7.746 2.268 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -0.915 -10.150 2.846 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.566 -7.262 3.694 1.00 0.00 C ATOM 0 H ILE A 105 -0.372 -8.245 -0.212 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.936 -10.645 0.438 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.843 -9.345 2.433 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.388 -7.617 1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.035 -7.117 1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -0.944 -9.883 3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.255 -11.178 2.722 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.106 -10.058 2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.262 -6.217 3.756 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.605 -7.356 4.008 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -0.934 -7.863 4.347 1.00 0.00 H new ATOM 1265 N ILE A 106 -4.120 -9.461 -0.169 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.324 -8.830 -0.695 1.00 0.00 C ATOM 1267 C ILE A 106 -6.305 -8.574 0.440 1.00 0.00 C ATOM 1268 O ILE A 106 -6.743 -9.503 1.119 1.00 0.00 O ATOM 1269 CB ILE A 106 -6.002 -9.685 -1.797 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -5.227 -9.563 -3.110 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.455 -9.273 -1.998 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.842 -10.333 -4.262 1.00 0.00 C ATOM 0 H ILE A 106 -4.259 -10.415 0.164 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.028 -7.886 -1.153 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.991 -10.726 -1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.160 -8.510 -3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.208 -9.916 -2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.904 -9.890 -2.777 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -8.004 -9.409 -1.066 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.498 -8.225 -2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.235 -10.196 -5.157 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.884 -11.393 -4.010 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.851 -9.965 -4.449 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.631 -7.316 0.661 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.518 -6.956 1.753 1.00 0.00 C ATOM 1286 C CYS A 107 -8.925 -6.705 1.228 1.00 0.00 C ATOM 1287 O CYS A 107 -9.116 -6.489 0.030 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.990 -5.729 2.492 1.00 0.00 C ATOM 1289 SG CYS A 107 -7.235 -5.799 4.295 1.00 0.00 S ATOM 0 H CYS A 107 -6.298 -6.529 0.104 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.556 -7.786 2.459 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.926 -5.620 2.283 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.485 -4.840 2.101 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.905 -6.738 2.121 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.302 -6.616 1.727 1.00 0.00 C ATOM 1296 C TYR A 108 -11.996 -5.502 2.498 1.00 0.00 C ATOM 1297 O TYR A 108 -11.566 -5.131 3.592 1.00 0.00 O ATOM 1298 CB TYR A 108 -12.040 -7.934 1.968 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.529 -9.083 1.130 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.851 -9.181 -0.218 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.729 -10.072 1.686 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -11.393 -10.233 -0.985 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.265 -11.125 0.924 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.599 -11.201 -0.409 1.00 0.00 C ATOM 1305 OH TYR A 108 -10.143 -12.256 -1.168 1.00 0.00 O ATOM 0 H TYR A 108 -9.758 -6.848 3.124 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.326 -6.373 0.665 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.955 -8.199 3.022 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -13.100 -7.789 1.760 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.470 -8.422 -0.673 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.465 -10.016 2.732 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.655 -10.297 -2.031 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.643 -11.886 1.372 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.596 -12.848 -0.610 1.00 0.00 H new ATOM 1315 N GLY A 109 -13.077 -4.983 1.934 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.864 -3.983 2.625 1.00 0.00 C ATOM 1317 C GLY A 109 -13.650 -2.581 2.095 1.00 0.00 C ATOM 1318 O GLY A 109 -13.509 -2.374 0.886 1.00 0.00 O ATOM 0 H GLY A 109 -13.423 -5.237 1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.920 -4.239 2.540 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.616 -4.005 3.686 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.619 -1.618 3.007 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.495 -0.211 2.646 1.00 0.00 C ATOM 1324 C GLN A 110 -12.050 0.136 2.296 1.00 0.00 C ATOM 1325 O GLN A 110 -11.112 -0.422 2.865 1.00 0.00 O ATOM 1326 CB GLN A 110 -13.987 0.677 3.792 1.00 0.00 C ATOM 1327 CG GLN A 110 -15.458 0.471 4.140 1.00 0.00 C ATOM 1328 CD GLN A 110 -15.966 1.480 5.151 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -16.461 2.548 4.787 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -15.859 1.147 6.429 1.00 0.00 N ATOM 0 H GLN A 110 -13.679 -1.788 4.011 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.114 -0.030 1.767 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.382 0.480 4.677 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.829 1.722 3.524 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -16.056 0.541 3.231 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.596 -0.535 4.536 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -15.443 0.253 6.690 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.193 1.785 7.152 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.895 1.070 1.362 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.586 1.473 0.865 1.00 0.00 C ATOM 1341 C LEU A 111 -9.701 1.986 1.995 1.00 0.00 C ATOM 1342 O LEU A 111 -9.974 3.031 2.589 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.749 2.558 -0.208 1.00 0.00 C ATOM 1344 CG LEU A 111 -9.444 3.115 -0.789 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -8.713 2.065 -1.617 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -9.724 4.352 -1.626 1.00 0.00 C ATOM 0 H LEU A 111 -12.673 1.568 0.930 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.103 0.599 0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.345 2.150 -1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.318 3.384 0.219 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.797 3.392 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.792 2.492 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.474 1.208 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.350 1.744 -2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.788 4.736 -2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.395 4.093 -2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.190 5.115 -1.003 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.652 1.234 2.294 1.00 0.00 N ATOM 1359 CA GLY A 112 -7.710 1.651 3.309 1.00 0.00 C ATOM 1360 C GLY A 112 -7.867 0.887 4.606 1.00 0.00 C ATOM 1361 O GLY A 112 -7.088 1.083 5.535 1.00 0.00 O ATOM 0 H GLY A 112 -8.437 0.341 1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.696 1.516 2.934 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.839 2.716 3.502 1.00 0.00 H new ATOM 1365 N SER A 113 -8.873 0.024 4.678 1.00 0.00 N ATOM 1366 CA SER A 113 -9.111 -0.767 5.874 1.00 0.00 C ATOM 1367 C SER A 113 -8.314 -2.069 5.828 1.00 0.00 C ATOM 1368 O SER A 113 -8.642 -2.984 5.071 1.00 0.00 O ATOM 1369 CB SER A 113 -10.607 -1.060 6.023 1.00 0.00 C ATOM 1370 OG SER A 113 -10.877 -1.784 7.213 1.00 0.00 O ATOM 0 H SER A 113 -9.536 -0.144 3.921 1.00 0.00 H new ATOM 0 HA SER A 113 -8.778 -0.195 6.740 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.164 -0.123 6.031 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.955 -1.630 5.162 1.00 0.00 H new ATOM 0 HG SER A 113 -11.840 -1.955 7.281 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.265 -2.139 6.635 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.428 -3.333 6.723 1.00 0.00 C ATOM 1378 C PHE A 114 -6.823 -4.173 7.929 1.00 0.00 C ATOM 1379 O PHE A 114 -6.013 -4.924 8.474 1.00 0.00 O ATOM 1380 CB PHE A 114 -4.949 -2.947 6.828 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.396 -2.289 5.596 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -3.853 -3.050 4.574 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.412 -0.908 5.462 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.339 -2.449 3.444 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.897 -0.301 4.334 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.357 -1.073 3.325 1.00 0.00 C ATOM 0 H PHE A 114 -6.969 -1.377 7.245 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.578 -3.919 5.816 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -4.820 -2.273 7.675 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.365 -3.843 7.041 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -3.832 -4.126 4.663 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -4.832 -0.301 6.250 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -2.923 -3.054 2.652 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -3.917 0.775 4.241 1.00 0.00 H new ATOM 0 HZ PHE A 114 -2.949 -0.601 2.443 1.00 0.00 H new ATOM 1396 N SER A 115 -8.075 -4.041 8.339 1.00 0.00 N ATOM 1397 CA SER A 115 -8.572 -4.712 9.532 1.00 0.00 C ATOM 1398 C SER A 115 -8.615 -6.231 9.354 1.00 0.00 C ATOM 1399 O SER A 115 -8.516 -6.983 10.330 1.00 0.00 O ATOM 1400 CB SER A 115 -9.961 -4.180 9.873 1.00 0.00 C ATOM 1401 OG SER A 115 -9.938 -2.768 9.995 1.00 0.00 O ATOM 0 H SER A 115 -8.771 -3.471 7.859 1.00 0.00 H new ATOM 0 HA SER A 115 -7.885 -4.501 10.351 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.669 -4.472 9.097 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.308 -4.625 10.805 1.00 0.00 H new ATOM 0 HG SER A 115 -10.208 -2.362 9.145 1.00 0.00 H new ATOM 1407 N ASN A 116 -8.756 -6.677 8.112 1.00 0.00 N ATOM 1408 CA ASN A 116 -8.834 -8.101 7.813 1.00 0.00 C ATOM 1409 C ASN A 116 -8.402 -8.357 6.373 1.00 0.00 C ATOM 1410 O ASN A 116 -9.200 -8.246 5.443 1.00 0.00 O ATOM 1411 CB ASN A 116 -10.260 -8.619 8.038 1.00 0.00 C ATOM 1412 CG ASN A 116 -10.356 -10.131 7.921 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -10.590 -10.672 6.841 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -10.189 -10.822 9.038 1.00 0.00 N ATOM 0 H ASN A 116 -8.819 -6.071 7.294 1.00 0.00 H new ATOM 0 HA ASN A 116 -8.162 -8.636 8.484 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -10.603 -8.312 9.026 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -10.929 -8.159 7.311 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -10.253 -11.840 9.022 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -9.996 -10.336 9.914 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.130 -8.674 6.194 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.591 -8.923 4.867 1.00 0.00 C ATOM 1423 C CYS A 117 -6.340 -10.415 4.668 1.00 0.00 C ATOM 1424 O CYS A 117 -6.107 -11.149 5.632 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.290 -8.141 4.672 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.419 -6.352 5.019 1.00 0.00 S ATOM 0 H CYS A 117 -6.452 -8.765 6.950 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.318 -8.589 4.127 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.524 -8.569 5.319 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -4.951 -8.275 3.645 1.00 0.00 H new ATOM 1431 N SER A 118 -6.378 -10.860 3.421 1.00 0.00 N ATOM 1432 CA SER A 118 -6.213 -12.266 3.105 1.00 0.00 C ATOM 1433 C SER A 118 -4.910 -12.494 2.345 1.00 0.00 C ATOM 1434 O SER A 118 -4.581 -11.757 1.412 1.00 0.00 O ATOM 1435 CB SER A 118 -7.399 -12.755 2.271 1.00 0.00 C ATOM 1436 OG SER A 118 -7.391 -14.166 2.139 1.00 0.00 O ATOM 0 H SER A 118 -6.523 -10.261 2.608 1.00 0.00 H new ATOM 0 HA SER A 118 -6.174 -12.831 4.037 1.00 0.00 H new ATOM 0 HB2 SER A 118 -8.331 -12.437 2.739 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.365 -12.295 1.283 1.00 0.00 H new ATOM 0 HG SER A 118 -8.161 -14.449 1.603 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.159 -13.498 2.767 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.937 -13.875 2.076 1.00 0.00 C ATOM 1444 C HIS A 119 -3.253 -14.812 0.915 1.00 0.00 C ATOM 1445 O HIS A 119 -3.486 -16.006 1.109 1.00 0.00 O ATOM 1446 CB HIS A 119 -1.950 -14.540 3.043 1.00 0.00 C ATOM 1447 CG HIS A 119 -0.674 -14.979 2.391 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -0.274 -16.298 2.327 1.00 0.00 N ATOM 1449 CD2 HIS A 119 0.296 -14.265 1.771 1.00 0.00 C ATOM 1450 CE1 HIS A 119 0.882 -16.376 1.698 1.00 0.00 C ATOM 1451 NE2 HIS A 119 1.250 -15.158 1.350 1.00 0.00 N ATOM 0 H HIS A 119 -4.374 -14.067 3.586 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.474 -12.971 1.681 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -1.716 -13.842 3.847 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.430 -15.405 3.501 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -0.792 -17.090 2.707 1.00 0.00 H new ATOM 0 HD2 HIS A 119 0.315 -13.194 1.634 1.00 0.00 H new ATOM 0 HE1 HIS A 119 1.434 -17.283 1.501 1.00 0.00 H new ATOM 1459 N SER A 120 -3.273 -14.260 -0.284 1.00 0.00 N ATOM 1460 CA SER A 120 -3.522 -15.042 -1.481 1.00 0.00 C ATOM 1461 C SER A 120 -2.258 -15.103 -2.333 1.00 0.00 C ATOM 1462 O SER A 120 -1.521 -14.123 -2.420 1.00 0.00 O ATOM 1463 CB SER A 120 -4.675 -14.423 -2.273 1.00 0.00 C ATOM 1464 OG SER A 120 -5.845 -14.322 -1.471 1.00 0.00 O ATOM 0 H SER A 120 -3.119 -13.266 -0.455 1.00 0.00 H new ATOM 0 HA SER A 120 -3.799 -16.058 -1.198 1.00 0.00 H new ATOM 0 HB2 SER A 120 -4.387 -13.434 -2.629 1.00 0.00 H new ATOM 0 HB3 SER A 120 -4.884 -15.031 -3.153 1.00 0.00 H new ATOM 0 HG SER A 120 -6.569 -13.922 -1.997 1.00 0.00 H new ATOM 1470 N ARG A 121 -1.991 -16.251 -2.941 1.00 0.00 N ATOM 1471 CA ARG A 121 -0.789 -16.414 -3.746 1.00 0.00 C ATOM 1472 C ARG A 121 -1.136 -16.488 -5.228 1.00 0.00 C ATOM 1473 O ARG A 121 -0.902 -17.506 -5.886 1.00 0.00 O ATOM 1474 CB ARG A 121 -0.023 -17.667 -3.327 1.00 0.00 C ATOM 1475 CG ARG A 121 0.257 -17.744 -1.835 1.00 0.00 C ATOM 1476 CD ARG A 121 1.268 -18.831 -1.507 1.00 0.00 C ATOM 1477 NE ARG A 121 0.941 -20.107 -2.139 1.00 0.00 N ATOM 1478 CZ ARG A 121 1.488 -21.264 -1.787 1.00 0.00 C ATOM 1479 NH1 ARG A 121 2.317 -21.317 -0.750 1.00 0.00 N ATOM 1480 NH2 ARG A 121 1.191 -22.370 -2.446 1.00 0.00 N ATOM 0 H ARG A 121 -2.586 -17.078 -2.893 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.155 -15.544 -3.579 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -0.593 -18.547 -3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.923 -17.701 -3.867 1.00 0.00 H new ATOM 0 HG2 ARG A 121 0.631 -16.782 -1.485 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.673 -17.938 -1.300 1.00 0.00 H new ATOM 0 HD2 ARG A 121 2.258 -18.512 -1.831 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.315 -18.966 -0.426 1.00 0.00 H new ATOM 0 HE ARG A 121 0.254 -20.109 -2.893 1.00 0.00 H new ATOM 0 HH11 ARG A 121 2.532 -20.469 -0.225 1.00 0.00 H new ATOM 0 HH12 ARG A 121 2.738 -22.206 -0.478 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.539 -22.337 -3.229 1.00 0.00 H new ATOM 0 HH22 ARG A 121 1.614 -23.257 -2.171 1.00 0.00 H new ATOM 1493 N ASN A 122 -1.699 -15.411 -5.747 1.00 0.00 N ATOM 1494 CA ASN A 122 -2.066 -15.344 -7.153 1.00 0.00 C ATOM 1495 C ASN A 122 -1.161 -14.369 -7.896 1.00 0.00 C ATOM 1496 O ASN A 122 -0.633 -13.422 -7.313 1.00 0.00 O ATOM 1497 CB ASN A 122 -3.543 -14.964 -7.316 1.00 0.00 C ATOM 1498 CG ASN A 122 -3.914 -13.636 -6.675 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -3.322 -13.212 -5.684 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -4.914 -12.979 -7.234 1.00 0.00 N ATOM 0 H ASN A 122 -1.913 -14.568 -5.215 1.00 0.00 H new ATOM 0 HA ASN A 122 -1.929 -16.333 -7.591 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -3.782 -14.922 -8.379 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -4.160 -15.750 -6.882 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -5.220 -12.087 -6.844 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -5.381 -13.363 -8.056 1.00 0.00 H new ATOM 1507 N ASP A 123 -0.993 -14.600 -9.189 1.00 0.00 N ATOM 1508 CA ASP A 123 0.019 -13.898 -9.968 1.00 0.00 C ATOM 1509 C ASP A 123 -0.570 -12.731 -10.756 1.00 0.00 C ATOM 1510 O ASP A 123 -0.121 -12.434 -11.865 1.00 0.00 O ATOM 1511 CB ASP A 123 0.708 -14.870 -10.934 1.00 0.00 C ATOM 1512 CG ASP A 123 1.393 -16.024 -10.228 1.00 0.00 C ATOM 1513 OD1 ASP A 123 0.737 -17.065 -10.001 1.00 0.00 O ATOM 1514 OD2 ASP A 123 2.596 -15.911 -9.922 1.00 0.00 O ATOM 0 H ASP A 123 -1.546 -15.270 -9.724 1.00 0.00 H new ATOM 0 HA ASP A 123 0.746 -13.494 -9.264 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -0.031 -15.265 -11.631 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.444 -14.325 -11.525 1.00 0.00 H new ATOM 1519 N MET A 124 -1.568 -12.066 -10.192 1.00 0.00 N ATOM 1520 CA MET A 124 -2.148 -10.893 -10.842 1.00 0.00 C ATOM 1521 C MET A 124 -2.035 -9.666 -9.943 1.00 0.00 C ATOM 1522 O MET A 124 -2.677 -8.640 -10.181 1.00 0.00 O ATOM 1523 CB MET A 124 -3.613 -11.130 -11.234 1.00 0.00 C ATOM 1524 CG MET A 124 -4.582 -11.190 -10.061 1.00 0.00 C ATOM 1525 SD MET A 124 -6.306 -11.105 -10.585 1.00 0.00 S ATOM 1526 CE MET A 124 -7.147 -11.144 -9.004 1.00 0.00 C ATOM 0 H MET A 124 -1.991 -12.312 -9.297 1.00 0.00 H new ATOM 0 HA MET A 124 -1.581 -10.714 -11.756 1.00 0.00 H new ATOM 0 HB2 MET A 124 -3.928 -10.334 -11.908 1.00 0.00 H new ATOM 0 HB3 MET A 124 -3.680 -12.064 -11.791 1.00 0.00 H new ATOM 0 HG2 MET A 124 -4.419 -12.114 -9.506 1.00 0.00 H new ATOM 0 HG3 MET A 124 -4.372 -10.367 -9.378 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.039 -10.520 -9.051 1.00 0.00 H new ATOM 0 HE2 MET A 124 -7.434 -12.169 -8.769 1.00 0.00 H new ATOM 0 HE3 MET A 124 -6.481 -10.767 -8.228 1.00 0.00 H new ATOM 1536 N CYS A 125 -1.207 -9.772 -8.917 1.00 0.00 N ATOM 1537 CA CYS A 125 -1.017 -8.677 -7.979 1.00 0.00 C ATOM 1538 C CYS A 125 0.196 -7.835 -8.340 1.00 0.00 C ATOM 1539 O CYS A 125 1.322 -8.323 -8.360 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.877 -9.199 -6.547 1.00 0.00 C ATOM 1541 SG CYS A 125 -2.469 -9.472 -5.710 1.00 0.00 S ATOM 0 H CYS A 125 -0.655 -10.605 -8.712 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.904 -8.046 -8.041 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -0.320 -10.136 -6.564 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -0.288 -8.489 -5.967 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.044 -6.573 -8.653 1.00 0.00 N ATOM 1547 CA HIS A 126 1.042 -5.627 -8.845 1.00 0.00 C ATOM 1548 C HIS A 126 1.299 -4.890 -7.544 1.00 0.00 C ATOM 1549 O HIS A 126 0.362 -4.606 -6.791 1.00 0.00 O ATOM 1550 CB HIS A 126 0.721 -4.625 -9.952 1.00 0.00 C ATOM 1551 CG HIS A 126 0.696 -5.225 -11.320 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -0.366 -5.084 -12.185 1.00 0.00 N ATOM 1553 CD2 HIS A 126 1.620 -5.960 -11.977 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -0.096 -5.705 -13.317 1.00 0.00 C ATOM 1555 NE2 HIS A 126 1.106 -6.247 -13.215 1.00 0.00 N ATOM 0 H HIS A 126 -0.977 -6.181 -8.779 1.00 0.00 H new ATOM 0 HA HIS A 126 1.932 -6.181 -9.144 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -0.248 -4.170 -9.747 1.00 0.00 H new ATOM 0 HB3 HIS A 126 1.460 -3.824 -9.930 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -1.228 -4.578 -11.982 1.00 0.00 H new ATOM 0 HD2 HIS A 126 2.584 -6.265 -11.597 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -0.745 -5.761 -14.179 1.00 0.00 H new ATOM 1563 N SER A 127 2.559 -4.599 -7.280 1.00 0.00 N ATOM 1564 CA SER A 127 2.950 -3.909 -6.068 1.00 0.00 C ATOM 1565 C SER A 127 2.307 -2.531 -6.002 1.00 0.00 C ATOM 1566 O SER A 127 2.558 -1.681 -6.864 1.00 0.00 O ATOM 1567 CB SER A 127 4.468 -3.772 -6.032 1.00 0.00 C ATOM 1568 OG SER A 127 5.095 -5.022 -6.275 1.00 0.00 O ATOM 0 H SER A 127 3.336 -4.834 -7.897 1.00 0.00 H new ATOM 0 HA SER A 127 2.612 -4.488 -5.209 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.790 -3.048 -6.780 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.780 -3.387 -5.061 1.00 0.00 H new ATOM 0 HG SER A 127 6.025 -4.987 -5.967 1.00 0.00 H new ATOM 1574 N LEU A 128 1.464 -2.320 -4.998 1.00 0.00 N ATOM 1575 CA LEU A 128 0.839 -1.023 -4.801 1.00 0.00 C ATOM 1576 C LEU A 128 1.903 -0.026 -4.372 1.00 0.00 C ATOM 1577 O LEU A 128 2.488 -0.148 -3.295 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.287 -1.116 -3.761 1.00 0.00 C ATOM 1579 CG LEU A 128 -1.250 0.078 -3.710 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -2.563 -0.337 -3.069 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -0.637 1.240 -2.936 1.00 0.00 C ATOM 0 H LEU A 128 1.200 -3.028 -4.312 1.00 0.00 H new ATOM 0 HA LEU A 128 0.389 -0.686 -5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.866 -2.018 -3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.163 -1.238 -2.776 1.00 0.00 H new ATOM 0 HG LEU A 128 -1.438 0.408 -4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.239 0.518 -3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -3.017 -1.137 -3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.377 -0.690 -2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -1.339 2.073 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -0.419 0.923 -1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 128 0.286 1.555 -3.423 1.00 0.00 H new ATOM 1593 N GLY A 129 2.167 0.936 -5.234 1.00 0.00 N ATOM 1594 CA GLY A 129 3.202 1.902 -4.973 1.00 0.00 C ATOM 1595 C GLY A 129 2.650 3.265 -4.654 1.00 0.00 C ATOM 1596 O GLY A 129 1.591 3.648 -5.157 1.00 0.00 O ATOM 0 H GLY A 129 1.677 1.065 -6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.815 1.557 -4.140 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.856 1.973 -5.842 1.00 0.00 H new ATOM 1600 N LEU A 130 3.373 3.993 -3.824 1.00 0.00 N ATOM 1601 CA LEU A 130 2.983 5.333 -3.439 1.00 0.00 C ATOM 1602 C LEU A 130 4.173 6.274 -3.586 1.00 0.00 C ATOM 1603 O LEU A 130 5.246 6.024 -3.030 1.00 0.00 O ATOM 1604 CB LEU A 130 2.483 5.337 -1.993 1.00 0.00 C ATOM 1605 CG LEU A 130 2.052 6.701 -1.452 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.850 7.230 -2.220 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.742 6.602 0.034 1.00 0.00 C ATOM 0 H LEU A 130 4.244 3.672 -3.400 1.00 0.00 H new ATOM 0 HA LEU A 130 2.177 5.674 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.639 4.651 -1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.272 4.944 -1.352 1.00 0.00 H new ATOM 0 HG LEU A 130 2.874 7.404 -1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.560 8.201 -1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.109 7.335 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.018 6.533 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.436 7.579 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 130 0.936 5.885 0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.631 6.271 0.570 1.00 0.00 H new ATOM 1619 N THR A 131 3.993 7.334 -4.353 1.00 0.00 N ATOM 1620 CA THR A 131 5.041 8.318 -4.542 1.00 0.00 C ATOM 1621 C THR A 131 4.740 9.577 -3.732 1.00 0.00 C ATOM 1622 O THR A 131 3.966 10.431 -4.165 1.00 0.00 O ATOM 1623 CB THR A 131 5.186 8.702 -6.028 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.299 7.523 -6.835 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.403 9.589 -6.248 1.00 0.00 C ATOM 0 H THR A 131 3.129 7.535 -4.856 1.00 0.00 H new ATOM 0 HA THR A 131 5.975 7.872 -4.199 1.00 0.00 H new ATOM 0 HB THR A 131 4.295 9.258 -6.319 1.00 0.00 H new ATOM 0 HG1 THR A 131 4.628 7.550 -7.549 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.481 9.844 -7.305 1.00 0.00 H new ATOM 0 HG22 THR A 131 6.299 10.501 -5.661 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.302 9.057 -5.936 1.00 0.00 H new ATOM 1633 N CYS A 132 5.326 9.681 -2.550 1.00 0.00 N ATOM 1634 CA CYS A 132 5.187 10.885 -1.743 1.00 0.00 C ATOM 1635 C CYS A 132 6.253 11.891 -2.153 1.00 0.00 C ATOM 1636 O CYS A 132 7.362 11.506 -2.533 1.00 0.00 O ATOM 1637 CB CYS A 132 5.317 10.556 -0.252 1.00 0.00 C ATOM 1638 SG CYS A 132 4.147 9.290 0.343 1.00 0.00 S ATOM 0 H CYS A 132 5.900 8.951 -2.129 1.00 0.00 H new ATOM 0 HA CYS A 132 4.198 11.312 -1.911 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.334 10.216 -0.054 1.00 0.00 H new ATOM 0 HB3 CYS A 132 5.169 11.470 0.324 1.00 0.00 H new ATOM 1643 N LEU A 133 5.912 13.176 -2.108 1.00 0.00 N ATOM 1644 CA LEU A 133 6.864 14.223 -2.457 1.00 0.00 C ATOM 1645 C LEU A 133 8.072 14.190 -1.525 1.00 0.00 C ATOM 1646 O LEU A 133 7.987 14.588 -0.361 1.00 0.00 O ATOM 1647 CB LEU A 133 6.204 15.603 -2.405 1.00 0.00 C ATOM 1648 CG LEU A 133 5.204 15.898 -3.527 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.545 17.249 -3.308 1.00 0.00 C ATOM 1650 CD2 LEU A 133 5.888 15.869 -4.885 1.00 0.00 C ATOM 0 H LEU A 133 4.989 13.515 -1.835 1.00 0.00 H new ATOM 0 HA LEU A 133 7.202 14.037 -3.476 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.691 15.705 -1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.986 16.362 -2.430 1.00 0.00 H new ATOM 0 HG LEU A 133 4.438 15.122 -3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.837 17.444 -4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.017 17.246 -2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.307 18.028 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.157 16.081 -5.665 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.676 16.622 -4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.322 14.883 -5.053 1.00 0.00 H new ATOM 1662 N GLU A 134 9.183 13.695 -2.047 1.00 0.00 N ATOM 1663 CA GLU A 134 10.432 13.630 -1.307 1.00 0.00 C ATOM 1664 C GLU A 134 11.569 14.096 -2.204 1.00 0.00 C ATOM 1665 O GLU A 134 11.917 13.370 -3.154 1.00 0.00 O ATOM 1666 CB GLU A 134 10.691 12.205 -0.789 1.00 0.00 C ATOM 1667 CG GLU A 134 12.030 12.045 -0.082 1.00 0.00 C ATOM 1668 CD GLU A 134 12.195 10.685 0.571 1.00 0.00 C ATOM 1669 OE1 GLU A 134 12.305 9.674 -0.157 1.00 0.00 O ATOM 1670 OE2 GLU A 134 12.206 10.623 1.821 1.00 0.00 O ATOM 1671 OXT GLU A 134 12.080 15.213 -1.984 1.00 0.00 O ATOM 0 H GLU A 134 9.244 13.327 -2.996 1.00 0.00 H new ATOM 0 HA GLU A 134 10.368 14.286 -0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 134 9.892 11.927 -0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 134 10.647 11.510 -1.627 1.00 0.00 H new ATOM 0 HG2 GLU A 134 12.835 12.197 -0.801 1.00 0.00 H new ATOM 0 HG3 GLU A 134 12.129 12.821 0.677 1.00 0.00 H new TER 1678 GLU A 134