USER MOD reduce.3.24.130724 H: found=0, std=0, add=1117, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1120 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 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 91 MET CE :methyl -161:sc= -0.0994 (180deg=-0.602) USER MOD Set 2.1: A 78 GLN : amide:sc= -0.213 K(o=0.73,f=-9.4!) USER MOD Set 2.2: A 81 LYS NZ :NH3+ -166:sc= 0.939 (180deg=0) USER MOD Set 3.1: A 38 ASN : amide:sc= -3.39 K(o=-3.4,f=-9.2!) USER MOD Set 3.2: A 40 THR OG1 : rot 180:sc= 0.0277 USER MOD Set 4.1: A 31 SER OG : rot 6:sc= 1.03 USER MOD Set 4.2: A 50 LYS NZ :NH3+ -177:sc= 1.21 (180deg=1.12) USER MOD Set 5.1: A 20 LYS NZ :NH3+ -169:sc= 2.19 (180deg=0.46) USER MOD Set 5.2: A 21 ASN : amide:sc= 0.667 K(o=2.9,f=-7.5!) USER MOD Set 6.1: A 18 HIS : no HE2:sc= 1.93 K(o=1.1,f=-11!) USER MOD Set 6.2: A 24 ASN : amide:sc= -1.25 K(o=1.1,f=-3.4!) USER MOD Set 6.3: A 74 SER OG : rot -93:sc= 0.41 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.0681 (180deg=-0.487) USER MOD Single : A 1 MET N :NH3+ 147:sc= 1.41 (180deg=0.699) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.773 USER MOD Single : A 11 TYR OH : rot 180:sc= 0.184 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0.216 X(o=0.22,f=-0.027) USER MOD Single : A 48 THR OG1 : rot 10:sc= 1.18 USER MOD Single : A 49 MET CE :methyl -120:sc= -0.975 (180deg=-2.53) USER MOD Single : A 60 LYS NZ :NH3+ -169:sc= 0.488 (180deg=0.466) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 104:sc= -0.662 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 130:sc=-0.00686 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -119:sc= -1.02 (180deg=-3.07!) USER MOD Single : A 77 THR OG1 : rot 93:sc= 1.23 USER MOD Single : A 87 THR OG1 : rot 146:sc= 1.23 USER MOD Single : A 90 SER OG : rot 78:sc= 1.02 USER MOD Single : A 92 SER OG : rot 29:sc= 0.712 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 69:sc= 0.742 USER MOD Single : A 98 MET CE :methyl -131:sc= -2.91 (180deg=-5.15!) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -4.67! K(o=-4.7!,f=-0.61) USER MOD Single : A 102 LYS NZ :NH3+ 170:sc=-0.00205 (180deg=-0.091) USER MOD Single : A 104 TYR OH : rot 47:sc= 1.29 USER MOD Single : A 107 SER OG : rot 2:sc= 1.1 USER MOD Single : A 117 GLN : amide:sc= -3.65! C(o=-3.6!,f=-5.2!) USER MOD Single : A 120 SER OG : rot 54:sc= -0.288 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 THR OG1 : rot -86:sc= 1.21 USER MOD Single : A 132 SER OG : rot 170:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -122:sc= 0.489 (180deg=-0.415) USER MOD Single : A 147 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.785 -4.090 20.913 1.00 0.00 N ATOM 2 CA MET A 1 -19.550 -3.917 21.707 1.00 0.00 C ATOM 3 C MET A 1 -18.357 -4.480 20.947 1.00 0.00 C ATOM 4 O MET A 1 -18.511 -5.030 19.856 1.00 0.00 O ATOM 5 CB MET A 1 -19.680 -4.605 23.072 1.00 0.00 C ATOM 6 CG MET A 1 -20.701 -3.958 24.000 1.00 0.00 C ATOM 7 SD MET A 1 -22.408 -4.192 23.460 1.00 0.00 S ATOM 8 CE MET A 1 -22.598 -5.960 23.683 1.00 0.00 C ATOM 0 H1 MET A 1 -21.590 -4.248 21.553 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.956 -3.235 20.346 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.679 -4.909 20.281 1.00 0.00 H new ATOM 0 HA MET A 1 -19.394 -2.851 21.874 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.956 -5.648 22.916 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.706 -4.603 23.562 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.584 -4.372 25.002 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.493 -2.890 24.070 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.658 -6.208 23.740 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.148 -6.484 22.840 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.104 -6.266 24.605 1.00 0.00 H new ATOM 20 N SER A 2 -17.171 -4.334 21.516 1.00 0.00 N ATOM 21 CA SER A 2 -15.958 -4.814 20.880 1.00 0.00 C ATOM 22 C SER A 2 -15.855 -6.331 21.000 1.00 0.00 C ATOM 23 O SER A 2 -15.569 -6.862 22.073 1.00 0.00 O ATOM 24 CB SER A 2 -14.734 -4.148 21.511 1.00 0.00 C ATOM 25 OG SER A 2 -14.859 -2.732 21.506 1.00 0.00 O ATOM 0 H SER A 2 -17.024 -3.885 22.420 1.00 0.00 H new ATOM 0 HA SER A 2 -15.994 -4.554 19.822 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.612 -4.501 22.535 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.837 -4.438 20.965 1.00 0.00 H new ATOM 0 HG SER A 2 -14.064 -2.332 21.916 1.00 0.00 H new ATOM 31 N PHE A 3 -16.129 -7.025 19.906 1.00 0.00 N ATOM 32 CA PHE A 3 -15.983 -8.469 19.863 1.00 0.00 C ATOM 33 C PHE A 3 -14.796 -8.842 18.989 1.00 0.00 C ATOM 34 O PHE A 3 -14.482 -8.140 18.027 1.00 0.00 O ATOM 35 CB PHE A 3 -17.267 -9.141 19.356 1.00 0.00 C ATOM 36 CG PHE A 3 -17.749 -8.653 18.013 1.00 0.00 C ATOM 37 CD1 PHE A 3 -18.601 -7.563 17.920 1.00 0.00 C ATOM 38 CD2 PHE A 3 -17.358 -9.292 16.845 1.00 0.00 C ATOM 39 CE1 PHE A 3 -19.051 -7.118 16.691 1.00 0.00 C ATOM 40 CE2 PHE A 3 -17.805 -8.851 15.614 1.00 0.00 C ATOM 41 CZ PHE A 3 -18.653 -7.764 15.537 1.00 0.00 C ATOM 0 H PHE A 3 -16.455 -6.608 19.034 1.00 0.00 H new ATOM 0 HA PHE A 3 -15.802 -8.829 20.876 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -17.098 -10.216 19.297 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -18.057 -8.982 20.090 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -18.917 -7.055 18.819 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -16.697 -10.144 16.899 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -19.713 -6.266 16.633 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -17.491 -9.356 14.713 1.00 0.00 H new ATOM 0 HZ PHE A 3 -19.005 -7.419 14.576 1.00 0.00 H new ATOM 51 N ASN A 4 -14.132 -9.934 19.326 1.00 0.00 N ATOM 52 CA ASN A 4 -12.939 -10.336 18.601 1.00 0.00 C ATOM 53 C ASN A 4 -13.292 -11.104 17.337 1.00 0.00 C ATOM 54 O ASN A 4 -13.457 -12.327 17.355 1.00 0.00 O ATOM 55 CB ASN A 4 -12.015 -11.178 19.481 1.00 0.00 C ATOM 56 CG ASN A 4 -11.422 -10.390 20.634 1.00 0.00 C ATOM 57 OD1 ASN A 4 -11.994 -10.334 21.723 1.00 0.00 O ATOM 58 ND2 ASN A 4 -10.270 -9.776 20.406 1.00 0.00 N ATOM 0 H ASN A 4 -14.396 -10.554 20.091 1.00 0.00 H new ATOM 0 HA ASN A 4 -12.414 -9.424 18.316 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -12.572 -12.028 19.876 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.208 -11.582 18.870 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.826 -9.233 21.147 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -9.827 -9.846 19.490 1.00 0.00 H new ATOM 65 N ALA A 5 -13.443 -10.372 16.248 1.00 0.00 N ATOM 66 CA ALA A 5 -13.610 -10.975 14.942 1.00 0.00 C ATOM 67 C ALA A 5 -12.294 -10.883 14.189 1.00 0.00 C ATOM 68 O ALA A 5 -12.013 -9.869 13.551 1.00 0.00 O ATOM 69 CB ALA A 5 -14.735 -10.297 14.173 1.00 0.00 C ATOM 0 H ALA A 5 -13.453 -9.352 16.245 1.00 0.00 H new ATOM 0 HA ALA A 5 -13.886 -12.024 15.055 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -14.842 -10.767 13.195 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -15.668 -10.398 14.728 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -14.502 -9.240 14.044 1.00 0.00 H new ATOM 75 N ASN A 6 -11.492 -11.940 14.308 1.00 0.00 N ATOM 76 CA ASN A 6 -10.119 -11.979 13.807 1.00 0.00 C ATOM 77 C ASN A 6 -10.023 -11.521 12.359 1.00 0.00 C ATOM 78 O ASN A 6 -10.253 -12.292 11.427 1.00 0.00 O ATOM 79 CB ASN A 6 -9.552 -13.392 13.955 1.00 0.00 C ATOM 80 CG ASN A 6 -8.090 -13.483 13.563 1.00 0.00 C ATOM 81 OD1 ASN A 6 -7.756 -13.792 12.417 1.00 0.00 O ATOM 82 ND2 ASN A 6 -7.209 -13.204 14.512 1.00 0.00 N ATOM 0 H ASN A 6 -11.782 -12.806 14.762 1.00 0.00 H new ATOM 0 HA ASN A 6 -9.529 -11.284 14.404 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -9.667 -13.718 14.989 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -10.132 -14.078 13.338 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -6.210 -13.240 14.307 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -7.529 -12.953 15.447 1.00 0.00 H new ATOM 89 N LEU A 7 -9.741 -10.231 12.210 1.00 0.00 N ATOM 90 CA LEU A 7 -9.518 -9.580 10.913 1.00 0.00 C ATOM 91 C LEU A 7 -10.842 -9.339 10.185 1.00 0.00 C ATOM 92 O LEU A 7 -10.914 -8.532 9.252 1.00 0.00 O ATOM 93 CB LEU A 7 -8.558 -10.400 10.038 1.00 0.00 C ATOM 94 CG LEU A 7 -8.170 -9.756 8.704 1.00 0.00 C ATOM 95 CD1 LEU A 7 -7.394 -8.469 8.936 1.00 0.00 C ATOM 96 CD2 LEU A 7 -7.353 -10.725 7.862 1.00 0.00 C ATOM 0 H LEU A 7 -9.658 -9.591 13.000 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.055 -8.612 11.104 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.648 -10.591 10.607 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.016 -11.368 9.835 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.084 -9.513 8.162 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.128 -8.027 7.976 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.011 -7.769 9.499 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.487 -8.688 9.499 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.086 -10.251 6.918 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.445 -10.999 8.400 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.942 -11.621 7.664 1.00 0.00 H new ATOM 108 N ASP A 8 -11.892 -10.011 10.648 1.00 0.00 N ATOM 109 CA ASP A 8 -13.207 -9.949 10.014 1.00 0.00 C ATOM 110 C ASP A 8 -13.744 -8.530 9.994 1.00 0.00 C ATOM 111 O ASP A 8 -14.243 -8.060 8.973 1.00 0.00 O ATOM 112 CB ASP A 8 -14.211 -10.854 10.738 1.00 0.00 C ATOM 113 CG ASP A 8 -14.046 -12.321 10.405 1.00 0.00 C ATOM 114 OD1 ASP A 8 -14.653 -12.781 9.413 1.00 0.00 O ATOM 115 OD2 ASP A 8 -13.328 -13.027 11.139 1.00 0.00 O ATOM 0 H ASP A 8 -11.857 -10.613 11.471 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.082 -10.297 8.988 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.101 -10.719 11.814 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -15.223 -10.542 10.479 1.00 0.00 H new ATOM 120 N THR A 9 -13.622 -7.851 11.124 1.00 0.00 N ATOM 121 CA THR A 9 -14.153 -6.509 11.275 1.00 0.00 C ATOM 122 C THR A 9 -13.527 -5.551 10.261 1.00 0.00 C ATOM 123 O THR A 9 -14.228 -4.789 9.592 1.00 0.00 O ATOM 124 CB THR A 9 -13.902 -5.986 12.704 1.00 0.00 C ATOM 125 OG1 THR A 9 -14.206 -7.019 13.653 1.00 0.00 O ATOM 126 CG2 THR A 9 -14.760 -4.764 12.991 1.00 0.00 C ATOM 0 H THR A 9 -13.155 -8.213 11.956 1.00 0.00 H new ATOM 0 HA THR A 9 -15.227 -6.556 11.093 1.00 0.00 H new ATOM 0 HB THR A 9 -12.853 -5.701 12.790 1.00 0.00 H new ATOM 0 HG1 THR A 9 -14.045 -6.687 14.561 1.00 0.00 H new ATOM 0 HG21 THR A 9 -14.566 -4.413 14.005 1.00 0.00 H new ATOM 0 HG22 THR A 9 -14.517 -3.974 12.281 1.00 0.00 H new ATOM 0 HG23 THR A 9 -15.813 -5.028 12.894 1.00 0.00 H new ATOM 134 N LEU A 10 -12.209 -5.623 10.126 1.00 0.00 N ATOM 135 CA LEU A 10 -11.477 -4.699 9.270 1.00 0.00 C ATOM 136 C LEU A 10 -11.748 -4.955 7.792 1.00 0.00 C ATOM 137 O LEU A 10 -12.283 -4.098 7.103 1.00 0.00 O ATOM 138 CB LEU A 10 -9.973 -4.797 9.532 1.00 0.00 C ATOM 139 CG LEU A 10 -9.521 -4.365 10.924 1.00 0.00 C ATOM 140 CD1 LEU A 10 -8.012 -4.489 11.043 1.00 0.00 C ATOM 141 CD2 LEU A 10 -9.966 -2.939 11.217 1.00 0.00 C ATOM 0 H LEU A 10 -11.625 -6.312 10.599 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.828 -3.696 9.514 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.660 -5.829 9.371 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.452 -4.187 8.794 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.986 -5.021 11.660 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.699 -4.178 12.040 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.718 -5.525 10.877 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.535 -3.852 10.298 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.633 -2.652 12.214 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.531 -2.263 10.481 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.053 -2.879 11.166 1.00 0.00 H new ATOM 153 N TYR A 11 -11.413 -6.152 7.325 1.00 0.00 N ATOM 154 CA TYR A 11 -11.384 -6.442 5.894 1.00 0.00 C ATOM 155 C TYR A 11 -12.774 -6.319 5.293 1.00 0.00 C ATOM 156 O TYR A 11 -12.930 -5.855 4.168 1.00 0.00 O ATOM 157 CB TYR A 11 -10.803 -7.846 5.614 1.00 0.00 C ATOM 158 CG TYR A 11 -11.829 -8.965 5.592 1.00 0.00 C ATOM 159 CD1 TYR A 11 -12.192 -9.630 6.752 1.00 0.00 C ATOM 160 CD2 TYR A 11 -12.444 -9.344 4.401 1.00 0.00 C ATOM 161 CE1 TYR A 11 -13.137 -10.638 6.733 1.00 0.00 C ATOM 162 CE2 TYR A 11 -13.388 -10.353 4.374 1.00 0.00 C ATOM 163 CZ TYR A 11 -13.731 -10.995 5.544 1.00 0.00 C ATOM 164 OH TYR A 11 -14.681 -11.992 5.528 1.00 0.00 O ATOM 0 H TYR A 11 -11.156 -6.941 7.918 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.731 -5.707 5.423 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.287 -7.826 4.654 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -10.055 -8.073 6.373 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.728 -9.356 7.688 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -12.179 -8.841 3.483 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -13.408 -11.144 7.648 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -13.854 -10.637 3.442 1.00 0.00 H new ATOM 0 HH TYR A 11 -15.003 -12.122 4.612 1.00 0.00 H new ATOM 174 N ARG A 12 -13.783 -6.714 6.055 1.00 0.00 N ATOM 175 CA ARG A 12 -15.142 -6.721 5.554 1.00 0.00 C ATOM 176 C ARG A 12 -15.677 -5.297 5.486 1.00 0.00 C ATOM 177 O ARG A 12 -16.517 -4.976 4.642 1.00 0.00 O ATOM 178 CB ARG A 12 -16.018 -7.614 6.429 1.00 0.00 C ATOM 179 CG ARG A 12 -17.287 -8.089 5.742 1.00 0.00 C ATOM 180 CD ARG A 12 -17.655 -9.494 6.191 1.00 0.00 C ATOM 181 NE ARG A 12 -17.862 -9.577 7.635 1.00 0.00 N ATOM 182 CZ ARG A 12 -17.291 -10.486 8.426 1.00 0.00 C ATOM 183 NH1 ARG A 12 -16.423 -11.367 7.928 1.00 0.00 N ATOM 184 NH2 ARG A 12 -17.591 -10.504 9.721 1.00 0.00 N ATOM 0 H ARG A 12 -13.683 -7.032 7.019 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.157 -7.131 4.544 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.438 -8.482 6.741 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -16.288 -7.069 7.333 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -18.105 -7.405 5.968 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -17.148 -8.073 4.661 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -18.562 -9.812 5.677 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -16.865 -10.185 5.899 1.00 0.00 H new ATOM 0 HE ARG A 12 -18.485 -8.894 8.067 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.191 -11.349 6.935 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -15.991 -12.059 8.540 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -18.252 -9.827 10.101 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -17.160 -11.195 10.335 1.00 0.00 H new ATOM 198 N GLN A 13 -15.168 -4.436 6.363 1.00 0.00 N ATOM 199 CA GLN A 13 -15.466 -3.018 6.275 1.00 0.00 C ATOM 200 C GLN A 13 -14.653 -2.395 5.146 1.00 0.00 C ATOM 201 O GLN A 13 -15.172 -1.589 4.368 1.00 0.00 O ATOM 202 CB GLN A 13 -15.153 -2.299 7.589 1.00 0.00 C ATOM 203 CG GLN A 13 -15.542 -0.825 7.569 1.00 0.00 C ATOM 204 CD GLN A 13 -15.037 -0.062 8.778 1.00 0.00 C ATOM 205 OE1 GLN A 13 -13.983 -0.374 9.332 1.00 0.00 O ATOM 206 NE2 GLN A 13 -15.780 0.951 9.190 1.00 0.00 N ATOM 0 H GLN A 13 -14.553 -4.696 7.134 1.00 0.00 H new ATOM 0 HA GLN A 13 -16.531 -2.907 6.073 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -15.679 -2.797 8.403 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -14.087 -2.385 7.799 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -15.147 -0.363 6.664 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -16.628 -0.742 7.522 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -16.647 1.178 8.704 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.486 1.506 9.994 1.00 0.00 H new ATOM 215 N VAL A 14 -13.380 -2.787 5.047 1.00 0.00 N ATOM 216 CA VAL A 14 -12.491 -2.227 4.034 1.00 0.00 C ATOM 217 C VAL A 14 -12.976 -2.566 2.624 1.00 0.00 C ATOM 218 O VAL A 14 -13.043 -1.692 1.757 1.00 0.00 O ATOM 219 CB VAL A 14 -11.033 -2.715 4.214 1.00 0.00 C ATOM 220 CG1 VAL A 14 -10.152 -2.234 3.073 1.00 0.00 C ATOM 221 CG2 VAL A 14 -10.471 -2.238 5.545 1.00 0.00 C ATOM 0 H VAL A 14 -12.947 -3.485 5.652 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.509 -1.145 4.165 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.041 -3.805 4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.133 -2.591 3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.536 -2.621 2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.154 -1.144 3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.445 -2.591 5.654 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.486 -1.149 5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -11.079 -2.633 6.359 1.00 0.00 H new ATOM 231 N ILE A 15 -13.332 -3.827 2.400 1.00 0.00 N ATOM 232 CA ILE A 15 -13.783 -4.259 1.085 1.00 0.00 C ATOM 233 C ILE A 15 -15.125 -3.614 0.733 1.00 0.00 C ATOM 234 O ILE A 15 -15.386 -3.312 -0.429 1.00 0.00 O ATOM 235 CB ILE A 15 -13.883 -5.806 0.981 1.00 0.00 C ATOM 236 CG1 ILE A 15 -14.104 -6.227 -0.475 1.00 0.00 C ATOM 237 CG2 ILE A 15 -15.000 -6.345 1.868 1.00 0.00 C ATOM 238 CD1 ILE A 15 -14.115 -7.727 -0.682 1.00 0.00 C ATOM 0 H ILE A 15 -13.317 -4.562 3.107 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.033 -3.930 0.365 1.00 0.00 H new ATOM 0 HB ILE A 15 -12.942 -6.231 1.331 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -15.051 -5.815 -0.823 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -13.320 -5.790 -1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.047 -7.430 1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -14.801 -6.078 2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -15.951 -5.913 1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.276 -7.948 -1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.159 -8.145 -0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -14.917 -8.170 -0.092 1.00 0.00 H new ATOM 250 N MET A 16 -15.961 -3.380 1.743 1.00 0.00 N ATOM 251 CA MET A 16 -17.252 -2.738 1.528 1.00 0.00 C ATOM 252 C MET A 16 -17.063 -1.276 1.131 1.00 0.00 C ATOM 253 O MET A 16 -17.659 -0.800 0.164 1.00 0.00 O ATOM 254 CB MET A 16 -18.117 -2.837 2.784 1.00 0.00 C ATOM 255 CG MET A 16 -19.446 -2.108 2.665 1.00 0.00 C ATOM 256 SD MET A 16 -20.458 -2.706 1.296 1.00 0.00 S ATOM 257 CE MET A 16 -21.854 -1.589 1.408 1.00 0.00 C ATOM 0 H MET A 16 -15.767 -3.625 2.714 1.00 0.00 H new ATOM 0 HA MET A 16 -17.760 -3.257 0.715 1.00 0.00 H new ATOM 0 HB2 MET A 16 -18.307 -3.888 3.003 1.00 0.00 H new ATOM 0 HB3 MET A 16 -17.563 -2.430 3.630 1.00 0.00 H new ATOM 0 HG2 MET A 16 -20.001 -2.221 3.596 1.00 0.00 H new ATOM 0 HG3 MET A 16 -19.259 -1.042 2.533 1.00 0.00 H new ATOM 0 HE1 MET A 16 -22.575 -1.828 0.626 1.00 0.00 H new ATOM 0 HE2 MET A 16 -22.328 -1.696 2.383 1.00 0.00 H new ATOM 0 HE3 MET A 16 -21.510 -0.562 1.283 1.00 0.00 H new ATOM 267 N ASP A 17 -16.213 -0.571 1.872 1.00 0.00 N ATOM 268 CA ASP A 17 -15.945 0.836 1.590 1.00 0.00 C ATOM 269 C ASP A 17 -15.314 0.992 0.222 1.00 0.00 C ATOM 270 O ASP A 17 -15.752 1.805 -0.588 1.00 0.00 O ATOM 271 CB ASP A 17 -15.013 1.442 2.639 1.00 0.00 C ATOM 272 CG ASP A 17 -14.724 2.911 2.373 1.00 0.00 C ATOM 273 OD1 ASP A 17 -13.747 3.217 1.656 1.00 0.00 O ATOM 274 OD2 ASP A 17 -15.477 3.768 2.886 1.00 0.00 O ATOM 0 H ASP A 17 -15.700 -0.949 2.669 1.00 0.00 H new ATOM 0 HA ASP A 17 -16.899 1.362 1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.462 1.335 3.626 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -14.075 0.886 2.654 1.00 0.00 H new ATOM 279 N HIS A 18 -14.297 0.183 -0.040 1.00 0.00 N ATOM 280 CA HIS A 18 -13.533 0.299 -1.270 1.00 0.00 C ATOM 281 C HIS A 18 -14.338 -0.186 -2.468 1.00 0.00 C ATOM 282 O HIS A 18 -13.992 0.096 -3.612 1.00 0.00 O ATOM 283 CB HIS A 18 -12.215 -0.457 -1.162 1.00 0.00 C ATOM 284 CG HIS A 18 -11.099 0.267 -1.832 1.00 0.00 C ATOM 285 ND1 HIS A 18 -10.307 1.182 -1.179 1.00 0.00 N ATOM 286 CD2 HIS A 18 -10.656 0.230 -3.107 1.00 0.00 C ATOM 287 CE1 HIS A 18 -9.428 1.677 -2.021 1.00 0.00 C ATOM 288 NE2 HIS A 18 -9.614 1.117 -3.201 1.00 0.00 N ATOM 0 H HIS A 18 -13.983 -0.560 0.584 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.310 1.355 -1.424 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.969 -0.609 -0.111 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.326 -1.445 -1.609 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -10.389 1.437 -0.195 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -11.049 -0.384 -3.904 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.679 2.418 -1.786 1.00 0.00 H new ATOM 297 N TYR A 19 -15.385 -0.945 -2.199 1.00 0.00 N ATOM 298 CA TYR A 19 -16.344 -1.321 -3.227 1.00 0.00 C ATOM 299 C TYR A 19 -17.115 -0.085 -3.672 1.00 0.00 C ATOM 300 O TYR A 19 -17.359 0.130 -4.859 1.00 0.00 O ATOM 301 CB TYR A 19 -17.308 -2.366 -2.669 1.00 0.00 C ATOM 302 CG TYR A 19 -18.335 -2.861 -3.659 1.00 0.00 C ATOM 303 CD1 TYR A 19 -18.063 -3.943 -4.486 1.00 0.00 C ATOM 304 CD2 TYR A 19 -19.574 -2.244 -3.768 1.00 0.00 C ATOM 305 CE1 TYR A 19 -18.998 -4.394 -5.394 1.00 0.00 C ATOM 306 CE2 TYR A 19 -20.513 -2.691 -4.672 1.00 0.00 C ATOM 307 CZ TYR A 19 -20.221 -3.765 -5.482 1.00 0.00 C ATOM 308 OH TYR A 19 -21.149 -4.206 -6.391 1.00 0.00 O ATOM 0 H TYR A 19 -15.595 -1.316 -1.272 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.819 -1.744 -4.083 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -16.732 -3.217 -2.306 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -17.826 -1.942 -1.809 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -17.106 -4.438 -4.417 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.805 -1.401 -3.134 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -18.773 -5.235 -6.033 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -21.473 -2.201 -4.745 1.00 0.00 H new ATOM 0 HH TYR A 19 -21.958 -3.657 -6.325 1.00 0.00 H new ATOM 318 N LYS A 20 -17.491 0.716 -2.688 1.00 0.00 N ATOM 319 CA LYS A 20 -18.220 1.954 -2.912 1.00 0.00 C ATOM 320 C LYS A 20 -17.311 3.011 -3.552 1.00 0.00 C ATOM 321 O LYS A 20 -17.773 3.889 -4.283 1.00 0.00 O ATOM 322 CB LYS A 20 -18.802 2.423 -1.569 1.00 0.00 C ATOM 323 CG LYS A 20 -19.384 3.825 -1.560 1.00 0.00 C ATOM 324 CD LYS A 20 -18.494 4.779 -0.780 1.00 0.00 C ATOM 325 CE LYS A 20 -18.188 4.243 0.615 1.00 0.00 C ATOM 326 NZ LYS A 20 -17.222 5.104 1.350 1.00 0.00 N ATOM 0 H LYS A 20 -17.298 0.524 -1.705 1.00 0.00 H new ATOM 0 HA LYS A 20 -19.040 1.790 -3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -19.582 1.723 -1.267 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -18.017 2.370 -0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -19.497 4.182 -2.584 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -20.380 3.806 -1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -17.562 4.935 -1.323 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -18.983 5.750 -0.699 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -19.114 4.170 1.185 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.784 3.234 0.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.902 4.612 2.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.404 5.306 0.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -17.685 5.997 1.615 1.00 0.00 H new ATOM 340 N ASN A 21 -16.012 2.901 -3.298 1.00 0.00 N ATOM 341 CA ASN A 21 -15.030 3.791 -3.923 1.00 0.00 C ATOM 342 C ASN A 21 -13.803 3.025 -4.422 1.00 0.00 C ATOM 343 O ASN A 21 -12.797 2.902 -3.714 1.00 0.00 O ATOM 344 CB ASN A 21 -14.591 4.924 -2.982 1.00 0.00 C ATOM 345 CG ASN A 21 -14.522 4.524 -1.516 1.00 0.00 C ATOM 346 OD1 ASN A 21 -15.429 4.826 -0.744 1.00 0.00 O ATOM 347 ND2 ASN A 21 -13.457 3.849 -1.121 1.00 0.00 N ATOM 0 H ASN A 21 -15.611 2.208 -2.666 1.00 0.00 H new ATOM 0 HA ASN A 21 -15.532 4.237 -4.781 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -13.611 5.283 -3.296 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -15.285 5.758 -3.087 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.368 3.561 -0.147 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.724 3.616 -1.791 1.00 0.00 H new ATOM 354 N PRO A 22 -13.883 2.483 -5.648 1.00 0.00 N ATOM 355 CA PRO A 22 -12.785 1.768 -6.281 1.00 0.00 C ATOM 356 C PRO A 22 -11.939 2.662 -7.192 1.00 0.00 C ATOM 357 O PRO A 22 -12.326 3.786 -7.506 1.00 0.00 O ATOM 358 CB PRO A 22 -13.525 0.714 -7.099 1.00 0.00 C ATOM 359 CG PRO A 22 -14.830 1.352 -7.476 1.00 0.00 C ATOM 360 CD PRO A 22 -15.072 2.496 -6.514 1.00 0.00 C ATOM 0 HA PRO A 22 -12.072 1.369 -5.559 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.955 0.431 -7.984 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.684 -0.195 -6.518 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.797 1.715 -8.503 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -15.642 0.626 -7.421 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.174 3.446 -7.039 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -15.987 2.349 -5.940 1.00 0.00 H new ATOM 368 N ARG A 23 -10.781 2.152 -7.604 1.00 0.00 N ATOM 369 CA ARG A 23 -9.883 2.882 -8.496 1.00 0.00 C ATOM 370 C ARG A 23 -8.886 1.899 -9.108 1.00 0.00 C ATOM 371 O ARG A 23 -7.790 2.267 -9.527 1.00 0.00 O ATOM 372 CB ARG A 23 -9.133 3.965 -7.707 1.00 0.00 C ATOM 373 CG ARG A 23 -8.461 5.018 -8.578 1.00 0.00 C ATOM 374 CD ARG A 23 -9.485 5.930 -9.234 1.00 0.00 C ATOM 375 NE ARG A 23 -10.259 6.675 -8.243 1.00 0.00 N ATOM 376 CZ ARG A 23 -11.569 6.905 -8.341 1.00 0.00 C ATOM 377 NH1 ARG A 23 -12.236 6.520 -9.421 1.00 0.00 N ATOM 378 NH2 ARG A 23 -12.209 7.541 -7.367 1.00 0.00 N ATOM 0 H ARG A 23 -10.441 1.230 -7.332 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.459 3.361 -9.288 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.834 4.459 -7.034 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.376 3.487 -7.085 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.778 5.612 -7.971 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.862 4.529 -9.346 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.977 6.628 -9.899 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.159 5.336 -9.851 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.768 7.041 -7.427 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.747 6.046 -10.180 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.238 6.698 -9.492 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.699 7.855 -6.541 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.211 7.716 -7.444 1.00 0.00 H new ATOM 392 N ASN A 24 -9.301 0.644 -9.189 1.00 0.00 N ATOM 393 CA ASN A 24 -8.376 -0.453 -9.456 1.00 0.00 C ATOM 394 C ASN A 24 -8.323 -0.828 -10.933 1.00 0.00 C ATOM 395 O ASN A 24 -8.181 -2.003 -11.271 1.00 0.00 O ATOM 396 CB ASN A 24 -8.767 -1.687 -8.632 1.00 0.00 C ATOM 397 CG ASN A 24 -8.761 -1.442 -7.131 1.00 0.00 C ATOM 398 OD1 ASN A 24 -9.117 -0.364 -6.647 1.00 0.00 O ATOM 399 ND2 ASN A 24 -8.342 -2.447 -6.379 1.00 0.00 N ATOM 0 H ASN A 24 -10.273 0.357 -9.074 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.384 -0.106 -9.167 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.761 -2.016 -8.934 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.079 -2.500 -8.862 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.306 -2.345 -5.365 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.055 -3.324 -6.814 1.00 0.00 H new ATOM 406 N LYS A 25 -8.411 0.158 -11.811 1.00 0.00 N ATOM 407 CA LYS A 25 -8.293 -0.105 -13.237 1.00 0.00 C ATOM 408 C LYS A 25 -7.520 1.000 -13.943 1.00 0.00 C ATOM 409 O LYS A 25 -8.003 2.129 -14.077 1.00 0.00 O ATOM 410 CB LYS A 25 -9.673 -0.279 -13.882 1.00 0.00 C ATOM 411 CG LYS A 25 -9.615 -0.399 -15.397 1.00 0.00 C ATOM 412 CD LYS A 25 -10.943 -0.843 -15.989 1.00 0.00 C ATOM 413 CE LYS A 25 -11.242 -2.292 -15.647 1.00 0.00 C ATOM 414 NZ LYS A 25 -12.462 -2.785 -16.332 1.00 0.00 N ATOM 0 H LYS A 25 -8.562 1.137 -11.566 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.737 -1.036 -13.349 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.149 -1.169 -13.471 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.302 0.571 -13.615 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.331 0.562 -15.825 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.839 -1.113 -15.674 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.743 -0.206 -15.612 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.920 -0.720 -17.072 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.392 -2.914 -15.929 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.366 -2.392 -14.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.630 -3.778 -16.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.279 -2.209 -16.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.334 -2.715 -17.362 1.00 0.00 H new ATOM 428 N GLY A 26 -6.307 0.675 -14.363 1.00 0.00 N ATOM 429 CA GLY A 26 -5.539 1.579 -15.186 1.00 0.00 C ATOM 430 C GLY A 26 -4.091 1.157 -15.298 1.00 0.00 C ATOM 431 O GLY A 26 -3.527 0.605 -14.352 1.00 0.00 O ATOM 0 H GLY A 26 -5.840 -0.205 -14.146 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.980 1.626 -16.182 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.592 2.584 -14.767 1.00 0.00 H new ATOM 435 N VAL A 27 -3.499 1.385 -16.462 1.00 0.00 N ATOM 436 CA VAL A 27 -2.069 1.190 -16.654 1.00 0.00 C ATOM 437 C VAL A 27 -1.450 2.449 -17.256 1.00 0.00 C ATOM 438 O VAL A 27 -1.741 2.825 -18.393 1.00 0.00 O ATOM 439 CB VAL A 27 -1.751 -0.044 -17.541 1.00 0.00 C ATOM 440 CG1 VAL A 27 -2.069 -1.332 -16.794 1.00 0.00 C ATOM 441 CG2 VAL A 27 -2.514 0.006 -18.857 1.00 0.00 C ATOM 0 H VAL A 27 -3.992 1.708 -17.294 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.632 0.997 -15.674 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.686 -0.023 -17.771 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.840 -2.187 -17.430 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.468 -1.384 -15.886 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.127 -1.348 -16.530 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.268 -0.872 -19.454 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.585 0.020 -18.656 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.236 0.906 -19.405 1.00 0.00 H new ATOM 451 N LEU A 28 -0.640 3.133 -16.469 1.00 0.00 N ATOM 452 CA LEU A 28 -0.014 4.371 -16.902 1.00 0.00 C ATOM 453 C LEU A 28 1.479 4.173 -17.113 1.00 0.00 C ATOM 454 O LEU A 28 2.284 4.416 -16.213 1.00 0.00 O ATOM 455 CB LEU A 28 -0.252 5.470 -15.865 1.00 0.00 C ATOM 456 CG LEU A 28 0.316 6.843 -16.218 1.00 0.00 C ATOM 457 CD1 LEU A 28 -0.429 7.440 -17.399 1.00 0.00 C ATOM 458 CD2 LEU A 28 0.245 7.765 -15.014 1.00 0.00 C ATOM 0 H LEU A 28 -0.398 2.850 -15.519 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.462 4.669 -17.850 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.326 5.570 -15.708 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.181 5.150 -14.917 1.00 0.00 H new ATOM 0 HG LEU A 28 1.362 6.726 -16.502 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.011 8.418 -17.636 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.328 6.783 -18.263 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.484 7.548 -17.147 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.653 8.741 -15.278 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.794 7.878 -14.703 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.825 7.339 -14.195 1.00 0.00 H new ATOM 470 N ASN A 29 1.853 3.709 -18.292 1.00 0.00 N ATOM 471 CA ASN A 29 3.258 3.501 -18.604 1.00 0.00 C ATOM 472 C ASN A 29 3.915 4.844 -18.908 1.00 0.00 C ATOM 473 O ASN A 29 4.063 5.234 -20.068 1.00 0.00 O ATOM 474 CB ASN A 29 3.413 2.540 -19.788 1.00 0.00 C ATOM 475 CG ASN A 29 4.863 2.220 -20.104 1.00 0.00 C ATOM 476 OD1 ASN A 29 5.718 2.189 -19.218 1.00 0.00 O ATOM 477 ND2 ASN A 29 5.147 1.978 -21.373 1.00 0.00 N ATOM 0 H ASN A 29 1.209 3.470 -19.046 1.00 0.00 H new ATOM 0 HA ASN A 29 3.752 3.050 -17.743 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.881 1.614 -19.570 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.943 2.978 -20.669 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.104 1.756 -21.648 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.409 2.014 -22.076 1.00 0.00 H new ATOM 484 N ASP A 30 4.254 5.570 -17.852 1.00 0.00 N ATOM 485 CA ASP A 30 4.830 6.900 -17.990 1.00 0.00 C ATOM 486 C ASP A 30 5.916 7.153 -16.950 1.00 0.00 C ATOM 487 O ASP A 30 7.101 7.157 -17.274 1.00 0.00 O ATOM 488 CB ASP A 30 3.741 7.971 -17.874 1.00 0.00 C ATOM 489 CG ASP A 30 4.307 9.376 -17.936 1.00 0.00 C ATOM 490 OD1 ASP A 30 4.594 9.858 -19.050 1.00 0.00 O ATOM 491 OD2 ASP A 30 4.473 10.002 -16.867 1.00 0.00 O ATOM 0 H ASP A 30 4.140 5.259 -16.887 1.00 0.00 H new ATOM 0 HA ASP A 30 5.287 6.956 -18.978 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.016 7.838 -18.677 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.204 7.839 -16.935 1.00 0.00 H new ATOM 496 N SER A 31 5.512 7.353 -15.700 1.00 0.00 N ATOM 497 CA SER A 31 6.460 7.690 -14.647 1.00 0.00 C ATOM 498 C SER A 31 6.899 6.439 -13.885 1.00 0.00 C ATOM 499 O SER A 31 7.916 5.825 -14.215 1.00 0.00 O ATOM 500 CB SER A 31 5.850 8.709 -13.683 1.00 0.00 C ATOM 501 OG SER A 31 5.301 9.819 -14.376 1.00 0.00 O ATOM 0 H SER A 31 4.541 7.288 -15.394 1.00 0.00 H new ATOM 0 HA SER A 31 7.340 8.132 -15.115 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.072 8.229 -13.089 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.614 9.055 -12.987 1.00 0.00 H new ATOM 0 HG SER A 31 5.346 9.657 -15.341 1.00 0.00 H new ATOM 507 N ILE A 32 6.114 6.050 -12.887 1.00 0.00 N ATOM 508 CA ILE A 32 6.437 4.888 -12.073 1.00 0.00 C ATOM 509 C ILE A 32 5.756 3.656 -12.633 1.00 0.00 C ATOM 510 O ILE A 32 4.563 3.682 -12.925 1.00 0.00 O ATOM 511 CB ILE A 32 6.003 5.075 -10.603 1.00 0.00 C ATOM 512 CG1 ILE A 32 6.743 6.253 -9.969 1.00 0.00 C ATOM 513 CG2 ILE A 32 6.255 3.801 -9.804 1.00 0.00 C ATOM 514 CD1 ILE A 32 6.316 6.536 -8.546 1.00 0.00 C ATOM 0 H ILE A 32 5.250 6.523 -12.623 1.00 0.00 H new ATOM 0 HA ILE A 32 7.520 4.767 -12.099 1.00 0.00 H new ATOM 0 HB ILE A 32 4.934 5.289 -10.588 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.814 6.051 -9.986 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.577 7.144 -10.574 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.943 3.952 -8.771 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.685 2.980 -10.239 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.317 3.559 -9.831 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.881 7.384 -8.158 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.252 6.769 -8.525 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.507 5.659 -7.928 1.00 0.00 H new ATOM 526 N VAL A 33 6.521 2.593 -12.801 1.00 0.00 N ATOM 527 CA VAL A 33 5.979 1.326 -13.262 1.00 0.00 C ATOM 528 C VAL A 33 6.456 0.192 -12.362 1.00 0.00 C ATOM 529 O VAL A 33 7.563 -0.325 -12.527 1.00 0.00 O ATOM 530 CB VAL A 33 6.379 1.015 -14.722 1.00 0.00 C ATOM 531 CG1 VAL A 33 5.707 -0.264 -15.196 1.00 0.00 C ATOM 532 CG2 VAL A 33 6.034 2.175 -15.647 1.00 0.00 C ATOM 0 H VAL A 33 7.525 2.581 -12.624 1.00 0.00 H new ATOM 0 HA VAL A 33 4.893 1.410 -13.219 1.00 0.00 H new ATOM 0 HB VAL A 33 7.459 0.873 -14.752 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.999 -0.468 -16.226 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.015 -1.094 -14.560 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.625 -0.148 -15.142 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.327 1.927 -16.667 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.960 2.361 -15.613 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.567 3.069 -15.324 1.00 0.00 H new ATOM 542 N VAL A 34 5.636 -0.175 -11.391 1.00 0.00 N ATOM 543 CA VAL A 34 5.979 -1.259 -10.485 1.00 0.00 C ATOM 544 C VAL A 34 4.825 -2.254 -10.350 1.00 0.00 C ATOM 545 O VAL A 34 3.784 -1.956 -9.767 1.00 0.00 O ATOM 546 CB VAL A 34 6.416 -0.728 -9.094 1.00 0.00 C ATOM 547 CG1 VAL A 34 5.390 0.232 -8.510 1.00 0.00 C ATOM 548 CG2 VAL A 34 6.683 -1.880 -8.136 1.00 0.00 C ATOM 0 H VAL A 34 4.731 0.260 -11.210 1.00 0.00 H new ATOM 0 HA VAL A 34 6.830 -1.784 -10.919 1.00 0.00 H new ATOM 0 HB VAL A 34 7.343 -0.172 -9.233 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.732 0.582 -7.536 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.267 1.084 -9.179 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.435 -0.281 -8.396 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.988 -1.484 -7.167 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.776 -2.472 -8.017 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.477 -2.510 -8.537 1.00 0.00 H new ATOM 558 N ASP A 35 5.010 -3.425 -10.936 1.00 0.00 N ATOM 559 CA ASP A 35 4.046 -4.512 -10.810 1.00 0.00 C ATOM 560 C ASP A 35 4.462 -5.447 -9.685 1.00 0.00 C ATOM 561 O ASP A 35 5.658 -5.662 -9.460 1.00 0.00 O ATOM 562 CB ASP A 35 3.938 -5.286 -12.130 1.00 0.00 C ATOM 563 CG ASP A 35 3.283 -6.647 -11.963 1.00 0.00 C ATOM 564 OD1 ASP A 35 2.076 -6.700 -11.658 1.00 0.00 O ATOM 565 OD2 ASP A 35 3.988 -7.669 -12.137 1.00 0.00 O ATOM 0 H ASP A 35 5.824 -3.651 -11.508 1.00 0.00 H new ATOM 0 HA ASP A 35 3.069 -4.089 -10.576 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.364 -4.697 -12.845 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.935 -5.417 -12.552 1.00 0.00 H new ATOM 570 N MET A 36 3.490 -5.995 -8.977 1.00 0.00 N ATOM 571 CA MET A 36 3.768 -6.907 -7.886 1.00 0.00 C ATOM 572 C MET A 36 2.701 -7.991 -7.843 1.00 0.00 C ATOM 573 O MET A 36 1.523 -7.710 -7.613 1.00 0.00 O ATOM 574 CB MET A 36 3.825 -6.154 -6.556 1.00 0.00 C ATOM 575 CG MET A 36 4.591 -6.895 -5.473 1.00 0.00 C ATOM 576 SD MET A 36 6.339 -7.090 -5.869 1.00 0.00 S ATOM 577 CE MET A 36 6.924 -7.944 -4.406 1.00 0.00 C ATOM 0 H MET A 36 2.498 -5.822 -9.141 1.00 0.00 H new ATOM 0 HA MET A 36 4.740 -7.372 -8.051 1.00 0.00 H new ATOM 0 HB2 MET A 36 4.289 -5.181 -6.718 1.00 0.00 H new ATOM 0 HB3 MET A 36 2.809 -5.968 -6.209 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.494 -6.356 -4.531 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.144 -7.878 -5.325 1.00 0.00 H new ATOM 0 HE1 MET A 36 7.993 -8.136 -4.500 1.00 0.00 H new ATOM 0 HE2 MET A 36 6.743 -7.326 -3.527 1.00 0.00 H new ATOM 0 HE3 MET A 36 6.393 -8.890 -4.300 1.00 0.00 H new ATOM 587 N ASN A 37 3.117 -9.224 -8.087 1.00 0.00 N ATOM 588 CA ASN A 37 2.189 -10.346 -8.165 1.00 0.00 C ATOM 589 C ASN A 37 2.512 -11.417 -7.120 1.00 0.00 C ATOM 590 O ASN A 37 3.634 -11.491 -6.616 1.00 0.00 O ATOM 591 CB ASN A 37 2.205 -10.954 -9.574 1.00 0.00 C ATOM 592 CG ASN A 37 3.602 -11.260 -10.075 1.00 0.00 C ATOM 593 OD1 ASN A 37 4.149 -12.332 -9.815 1.00 0.00 O ATOM 594 ND2 ASN A 37 4.184 -10.326 -10.813 1.00 0.00 N ATOM 0 H ASN A 37 4.094 -9.476 -8.235 1.00 0.00 H new ATOM 0 HA ASN A 37 1.190 -9.966 -7.953 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.617 -11.872 -9.574 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.720 -10.265 -10.266 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.119 -10.482 -11.189 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.697 -9.451 -11.006 1.00 0.00 H new ATOM 601 N ASN A 38 1.512 -12.235 -6.791 1.00 0.00 N ATOM 602 CA ASN A 38 1.670 -13.306 -5.815 1.00 0.00 C ATOM 603 C ASN A 38 1.027 -14.572 -6.358 1.00 0.00 C ATOM 604 O ASN A 38 -0.196 -14.673 -6.408 1.00 0.00 O ATOM 605 CB ASN A 38 1.029 -12.906 -4.474 1.00 0.00 C ATOM 606 CG ASN A 38 0.867 -14.064 -3.503 1.00 0.00 C ATOM 607 OD1 ASN A 38 -0.135 -14.774 -3.537 1.00 0.00 O ATOM 608 ND2 ASN A 38 1.817 -14.232 -2.597 1.00 0.00 N ATOM 0 H ASN A 38 0.576 -12.172 -7.192 1.00 0.00 H new ATOM 0 HA ASN A 38 2.731 -13.487 -5.641 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.640 -12.134 -4.006 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.051 -12.466 -4.666 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.730 -14.970 -1.898 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.636 -13.624 -2.598 1.00 0.00 H new ATOM 615 N PRO A 39 1.844 -15.541 -6.793 1.00 0.00 N ATOM 616 CA PRO A 39 1.354 -16.784 -7.404 1.00 0.00 C ATOM 617 C PRO A 39 0.555 -17.645 -6.432 1.00 0.00 C ATOM 618 O PRO A 39 -0.184 -18.541 -6.844 1.00 0.00 O ATOM 619 CB PRO A 39 2.634 -17.515 -7.831 1.00 0.00 C ATOM 620 CG PRO A 39 3.709 -16.481 -7.809 1.00 0.00 C ATOM 621 CD PRO A 39 3.315 -15.501 -6.743 1.00 0.00 C ATOM 0 HA PRO A 39 0.670 -16.577 -8.227 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.864 -18.335 -7.150 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.526 -17.948 -8.826 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.678 -16.929 -7.589 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.798 -15.990 -8.778 1.00 0.00 H new ATOM 0 HD2 PRO A 39 3.695 -15.793 -5.764 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.700 -14.502 -6.949 1.00 0.00 H new ATOM 629 N THR A 40 0.702 -17.361 -5.143 1.00 0.00 N ATOM 630 CA THR A 40 0.006 -18.104 -4.105 1.00 0.00 C ATOM 631 C THR A 40 -1.512 -17.969 -4.253 1.00 0.00 C ATOM 632 O THR A 40 -2.255 -18.927 -4.043 1.00 0.00 O ATOM 633 CB THR A 40 0.416 -17.603 -2.707 1.00 0.00 C ATOM 634 OG1 THR A 40 1.812 -17.270 -2.695 1.00 0.00 O ATOM 635 CG2 THR A 40 0.139 -18.658 -1.648 1.00 0.00 C ATOM 0 H THR A 40 1.303 -16.615 -4.792 1.00 0.00 H new ATOM 0 HA THR A 40 0.285 -19.152 -4.215 1.00 0.00 H new ATOM 0 HB THR A 40 -0.175 -16.716 -2.479 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.065 -16.951 -1.804 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.437 -18.279 -0.670 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.926 -18.892 -1.637 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.706 -19.560 -1.876 1.00 0.00 H new ATOM 643 N CYS A 41 -1.975 -16.775 -4.614 1.00 0.00 N ATOM 644 CA CYS A 41 -3.407 -16.542 -4.771 1.00 0.00 C ATOM 645 C CYS A 41 -3.740 -15.853 -6.092 1.00 0.00 C ATOM 646 O CYS A 41 -4.903 -15.804 -6.493 1.00 0.00 O ATOM 647 CB CYS A 41 -3.956 -15.738 -3.588 1.00 0.00 C ATOM 648 SG CYS A 41 -2.994 -14.265 -3.166 1.00 0.00 S ATOM 0 H CYS A 41 -1.387 -15.963 -4.801 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.891 -17.518 -4.788 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.978 -15.435 -3.815 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -4.002 -16.388 -2.714 1.00 0.00 H new ATOM 654 N GLY A 42 -2.734 -15.308 -6.763 1.00 0.00 N ATOM 655 CA GLY A 42 -2.961 -14.739 -8.069 1.00 0.00 C ATOM 656 C GLY A 42 -3.265 -13.260 -8.012 1.00 0.00 C ATOM 657 O GLY A 42 -4.172 -12.782 -8.694 1.00 0.00 O ATOM 0 H GLY A 42 -1.773 -15.252 -6.426 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.080 -14.902 -8.690 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.790 -15.259 -8.549 1.00 0.00 H new ATOM 661 N ASP A 43 -2.526 -12.535 -7.183 1.00 0.00 N ATOM 662 CA ASP A 43 -2.657 -11.089 -7.149 1.00 0.00 C ATOM 663 C ASP A 43 -1.742 -10.487 -8.191 1.00 0.00 C ATOM 664 O ASP A 43 -0.666 -11.021 -8.447 1.00 0.00 O ATOM 665 CB ASP A 43 -2.270 -10.484 -5.796 1.00 0.00 C ATOM 666 CG ASP A 43 -2.748 -11.256 -4.592 1.00 0.00 C ATOM 667 OD1 ASP A 43 -3.946 -11.352 -4.310 1.00 0.00 O ATOM 668 OD2 ASP A 43 -1.931 -11.774 -3.830 1.00 0.00 O ATOM 0 H ASP A 43 -1.839 -12.920 -6.534 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.707 -10.865 -7.338 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.184 -10.403 -5.749 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.668 -9.471 -5.741 1.00 0.00 H new ATOM 673 N ARG A 44 -2.172 -9.391 -8.784 1.00 0.00 N ATOM 674 CA ARG A 44 -1.329 -8.603 -9.662 1.00 0.00 C ATOM 675 C ARG A 44 -1.655 -7.143 -9.449 1.00 0.00 C ATOM 676 O ARG A 44 -2.772 -6.715 -9.717 1.00 0.00 O ATOM 677 CB ARG A 44 -1.538 -8.979 -11.132 1.00 0.00 C ATOM 678 CG ARG A 44 -0.893 -10.295 -11.526 1.00 0.00 C ATOM 679 CD ARG A 44 -1.019 -10.552 -13.019 1.00 0.00 C ATOM 680 NE ARG A 44 -2.407 -10.749 -13.439 1.00 0.00 N ATOM 681 CZ ARG A 44 -2.775 -11.577 -14.416 1.00 0.00 C ATOM 682 NH1 ARG A 44 -1.868 -12.301 -15.060 1.00 0.00 N ATOM 683 NH2 ARG A 44 -4.055 -11.683 -14.747 1.00 0.00 N ATOM 0 H ARG A 44 -3.116 -9.021 -8.671 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.284 -8.801 -9.423 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.608 -9.035 -11.334 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.135 -8.185 -11.761 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.160 -10.284 -11.245 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.361 -11.110 -10.975 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.593 -9.711 -13.566 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.434 -11.433 -13.283 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.135 -10.222 -12.956 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.883 -12.226 -14.808 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.156 -12.933 -15.807 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.757 -11.131 -14.254 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.338 -12.317 -15.495 1.00 0.00 H new ATOM 697 N ILE A 45 -0.707 -6.392 -8.918 1.00 0.00 N ATOM 698 CA ILE A 45 -0.920 -4.979 -8.682 1.00 0.00 C ATOM 699 C ILE A 45 0.119 -4.169 -9.433 1.00 0.00 C ATOM 700 O ILE A 45 1.237 -3.970 -8.960 1.00 0.00 O ATOM 701 CB ILE A 45 -0.876 -4.627 -7.178 1.00 0.00 C ATOM 702 CG1 ILE A 45 -1.927 -5.437 -6.409 1.00 0.00 C ATOM 703 CG2 ILE A 45 -1.102 -3.132 -6.976 1.00 0.00 C ATOM 704 CD1 ILE A 45 -1.921 -5.185 -4.916 1.00 0.00 C ATOM 0 H ILE A 45 0.213 -6.736 -8.644 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.917 -4.732 -9.047 1.00 0.00 H new ATOM 0 HB ILE A 45 0.110 -4.883 -6.790 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.915 -5.200 -6.804 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.758 -6.499 -6.590 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.068 -2.899 -5.912 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.323 -2.573 -7.494 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.076 -2.854 -7.377 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.691 -5.793 -4.441 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.946 -5.449 -4.506 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.122 -4.131 -4.724 1.00 0.00 H new ATOM 716 N ARG A 46 -0.245 -3.748 -10.628 1.00 0.00 N ATOM 717 CA ARG A 46 0.634 -2.939 -11.445 1.00 0.00 C ATOM 718 C ARG A 46 0.416 -1.466 -11.137 1.00 0.00 C ATOM 719 O ARG A 46 -0.540 -0.863 -11.622 1.00 0.00 O ATOM 720 CB ARG A 46 0.386 -3.223 -12.926 1.00 0.00 C ATOM 721 CG ARG A 46 1.267 -2.423 -13.871 1.00 0.00 C ATOM 722 CD ARG A 46 0.979 -2.774 -15.322 1.00 0.00 C ATOM 723 NE ARG A 46 1.357 -4.149 -15.640 1.00 0.00 N ATOM 724 CZ ARG A 46 0.493 -5.151 -15.784 1.00 0.00 C ATOM 725 NH1 ARG A 46 -0.812 -4.937 -15.647 1.00 0.00 N ATOM 726 NH2 ARG A 46 0.943 -6.364 -16.075 1.00 0.00 N ATOM 0 H ARG A 46 -1.148 -3.955 -11.055 1.00 0.00 H new ATOM 0 HA ARG A 46 1.669 -3.193 -11.216 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.544 -4.285 -13.112 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.659 -3.011 -13.155 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.101 -1.357 -13.712 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.316 -2.619 -13.648 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.083 -2.634 -15.524 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.521 -2.089 -15.975 1.00 0.00 H new ATOM 0 HE ARG A 46 2.349 -4.355 -15.760 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.155 -4.001 -15.431 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.470 -5.709 -15.758 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.944 -6.523 -16.187 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.288 -7.138 -16.187 1.00 0.00 H new ATOM 740 N LEU A 47 1.296 -0.914 -10.310 1.00 0.00 N ATOM 741 CA LEU A 47 1.233 0.470 -9.896 1.00 0.00 C ATOM 742 C LEU A 47 1.983 1.326 -10.887 1.00 0.00 C ATOM 743 O LEU A 47 3.212 1.296 -10.954 1.00 0.00 O ATOM 744 CB LEU A 47 1.850 0.659 -8.505 1.00 0.00 C ATOM 745 CG LEU A 47 1.016 0.160 -7.325 1.00 0.00 C ATOM 746 CD1 LEU A 47 1.857 0.146 -6.060 1.00 0.00 C ATOM 747 CD2 LEU A 47 -0.206 1.046 -7.126 1.00 0.00 C ATOM 0 H LEU A 47 2.080 -1.427 -9.907 1.00 0.00 H new ATOM 0 HA LEU A 47 0.185 0.766 -9.856 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.813 0.148 -8.485 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.049 1.721 -8.360 1.00 0.00 H new ATOM 0 HG LEU A 47 0.681 -0.855 -7.541 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.253 -0.211 -5.226 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.712 -0.516 -6.199 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.210 1.155 -5.847 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.789 0.677 -6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.115 2.069 -6.926 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.819 1.027 -8.027 1.00 0.00 H new ATOM 759 N THR A 48 1.241 2.055 -11.674 1.00 0.00 N ATOM 760 CA THR A 48 1.821 2.990 -12.599 1.00 0.00 C ATOM 761 C THR A 48 1.404 4.402 -12.216 1.00 0.00 C ATOM 762 O THR A 48 0.315 4.863 -12.543 1.00 0.00 O ATOM 763 CB THR A 48 1.447 2.648 -14.051 1.00 0.00 C ATOM 764 OG1 THR A 48 0.076 2.238 -14.138 1.00 0.00 O ATOM 765 CG2 THR A 48 2.336 1.537 -14.590 1.00 0.00 C ATOM 0 H THR A 48 0.222 2.019 -11.693 1.00 0.00 H new ATOM 0 HA THR A 48 2.908 2.925 -12.541 1.00 0.00 H new ATOM 0 HB THR A 48 1.593 3.547 -14.650 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.374 2.419 -13.286 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.054 1.312 -15.618 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.377 1.858 -14.562 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.215 0.644 -13.977 1.00 0.00 H new ATOM 773 N MET A 49 2.277 5.063 -11.477 1.00 0.00 N ATOM 774 CA MET A 49 1.940 6.304 -10.799 1.00 0.00 C ATOM 775 C MET A 49 2.548 7.489 -11.538 1.00 0.00 C ATOM 776 O MET A 49 3.542 7.329 -12.249 1.00 0.00 O ATOM 777 CB MET A 49 2.469 6.238 -9.363 1.00 0.00 C ATOM 778 CG MET A 49 2.153 4.912 -8.678 1.00 0.00 C ATOM 779 SD MET A 49 3.044 4.680 -7.127 1.00 0.00 S ATOM 780 CE MET A 49 2.193 5.839 -6.065 1.00 0.00 C ATOM 0 H MET A 49 3.238 4.756 -11.329 1.00 0.00 H new ATOM 0 HA MET A 49 0.858 6.436 -10.783 1.00 0.00 H new ATOM 0 HB2 MET A 49 3.548 6.390 -9.371 1.00 0.00 H new ATOM 0 HB3 MET A 49 2.037 7.054 -8.783 1.00 0.00 H new ATOM 0 HG2 MET A 49 1.082 4.857 -8.485 1.00 0.00 H new ATOM 0 HG3 MET A 49 2.398 4.094 -9.355 1.00 0.00 H new ATOM 0 HE1 MET A 49 2.901 6.580 -5.693 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.407 6.340 -6.630 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.752 5.305 -5.224 1.00 0.00 H new ATOM 790 N LYS A 50 1.969 8.680 -11.370 1.00 0.00 N ATOM 791 CA LYS A 50 2.454 9.848 -12.074 1.00 0.00 C ATOM 792 C LYS A 50 2.873 10.906 -11.070 1.00 0.00 C ATOM 793 O LYS A 50 2.073 11.743 -10.643 1.00 0.00 O ATOM 794 CB LYS A 50 1.383 10.393 -13.028 1.00 0.00 C ATOM 795 CG LYS A 50 1.938 11.094 -14.267 1.00 0.00 C ATOM 796 CD LYS A 50 2.550 12.453 -13.947 1.00 0.00 C ATOM 797 CE LYS A 50 3.034 13.164 -15.204 1.00 0.00 C ATOM 798 NZ LYS A 50 4.190 12.469 -15.837 1.00 0.00 N ATOM 0 H LYS A 50 1.172 8.851 -10.757 1.00 0.00 H new ATOM 0 HA LYS A 50 3.319 9.568 -12.675 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.745 9.569 -13.347 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.750 11.093 -12.482 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.693 10.460 -14.731 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.138 11.223 -14.996 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.812 13.074 -13.439 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.385 12.323 -13.258 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.215 13.229 -15.920 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.320 14.186 -14.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.517 13.016 -16.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.964 12.384 -15.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.897 11.520 -16.147 1.00 0.00 H new ATOM 812 N LEU A 51 4.116 10.807 -10.644 1.00 0.00 N ATOM 813 CA LEU A 51 4.720 11.804 -9.793 1.00 0.00 C ATOM 814 C LEU A 51 5.323 12.891 -10.668 1.00 0.00 C ATOM 815 O LEU A 51 6.341 12.690 -11.332 1.00 0.00 O ATOM 816 CB LEU A 51 5.781 11.175 -8.857 1.00 0.00 C ATOM 817 CG LEU A 51 7.114 10.736 -9.488 1.00 0.00 C ATOM 818 CD1 LEU A 51 8.088 10.302 -8.404 1.00 0.00 C ATOM 819 CD2 LEU A 51 6.912 9.609 -10.487 1.00 0.00 C ATOM 0 H LEU A 51 4.734 10.031 -10.880 1.00 0.00 H new ATOM 0 HA LEU A 51 3.958 12.243 -9.149 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.003 11.894 -8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.333 10.305 -8.378 1.00 0.00 H new ATOM 0 HG LEU A 51 7.527 11.590 -10.024 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.028 9.993 -8.862 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.271 11.135 -7.725 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.664 9.466 -7.847 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.874 9.324 -10.913 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.470 8.750 -9.982 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.247 9.943 -11.283 1.00 0.00 H new ATOM 831 N ASP A 52 4.668 14.033 -10.728 1.00 0.00 N ATOM 832 CA ASP A 52 5.150 15.102 -11.587 1.00 0.00 C ATOM 833 C ASP A 52 5.783 16.206 -10.765 1.00 0.00 C ATOM 834 O ASP A 52 5.249 17.309 -10.655 1.00 0.00 O ATOM 835 CB ASP A 52 4.032 15.654 -12.461 1.00 0.00 C ATOM 836 CG ASP A 52 4.572 16.456 -13.622 1.00 0.00 C ATOM 837 OD1 ASP A 52 5.243 15.860 -14.491 1.00 0.00 O ATOM 838 OD2 ASP A 52 4.316 17.675 -13.685 1.00 0.00 O ATOM 0 H ASP A 52 3.818 14.245 -10.205 1.00 0.00 H new ATOM 0 HA ASP A 52 5.912 14.684 -12.245 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.426 14.831 -12.839 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.376 16.283 -11.859 1.00 0.00 H new ATOM 843 N GLY A 53 6.902 15.875 -10.150 1.00 0.00 N ATOM 844 CA GLY A 53 7.602 16.812 -9.307 1.00 0.00 C ATOM 845 C GLY A 53 8.227 16.107 -8.130 1.00 0.00 C ATOM 846 O GLY A 53 9.251 15.444 -8.254 1.00 0.00 O ATOM 0 H GLY A 53 7.344 14.958 -10.222 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.374 17.321 -9.884 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.911 17.577 -8.954 1.00 0.00 H new ATOM 850 N ASP A 54 7.565 16.227 -6.997 1.00 0.00 N ATOM 851 CA ASP A 54 7.970 15.550 -5.770 1.00 0.00 C ATOM 852 C ASP A 54 6.722 15.030 -5.083 1.00 0.00 C ATOM 853 O ASP A 54 6.728 14.663 -3.907 1.00 0.00 O ATOM 854 CB ASP A 54 8.737 16.497 -4.839 1.00 0.00 C ATOM 855 CG ASP A 54 7.901 17.670 -4.369 1.00 0.00 C ATOM 856 OD1 ASP A 54 7.633 18.578 -5.186 1.00 0.00 O ATOM 857 OD2 ASP A 54 7.522 17.705 -3.178 1.00 0.00 O ATOM 0 H ASP A 54 6.726 16.798 -6.895 1.00 0.00 H new ATOM 0 HA ASP A 54 8.640 14.726 -6.014 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.090 15.939 -3.972 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.620 16.871 -5.357 1.00 0.00 H new ATOM 862 N ILE A 55 5.663 14.951 -5.872 1.00 0.00 N ATOM 863 CA ILE A 55 4.358 14.614 -5.407 1.00 0.00 C ATOM 864 C ILE A 55 3.901 13.371 -6.117 1.00 0.00 C ATOM 865 O ILE A 55 4.312 13.095 -7.237 1.00 0.00 O ATOM 866 CB ILE A 55 3.342 15.763 -5.669 1.00 0.00 C ATOM 867 CG1 ILE A 55 3.381 16.255 -7.136 1.00 0.00 C ATOM 868 CG2 ILE A 55 3.611 16.924 -4.727 1.00 0.00 C ATOM 869 CD1 ILE A 55 2.676 15.353 -8.138 1.00 0.00 C ATOM 0 H ILE A 55 5.704 15.127 -6.876 1.00 0.00 H new ATOM 0 HA ILE A 55 4.405 14.450 -4.330 1.00 0.00 H new ATOM 0 HB ILE A 55 2.345 15.362 -5.483 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.930 17.246 -7.183 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.422 16.364 -7.439 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.894 17.722 -4.919 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.510 16.586 -3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.622 17.298 -4.889 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.759 15.783 -9.136 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.139 14.366 -8.128 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.624 15.262 -7.868 1.00 0.00 H new ATOM 881 N VAL A 56 3.099 12.622 -5.451 1.00 0.00 N ATOM 882 CA VAL A 56 2.382 11.530 -6.071 1.00 0.00 C ATOM 883 C VAL A 56 0.940 11.948 -6.238 1.00 0.00 C ATOM 884 O VAL A 56 0.246 12.147 -5.250 1.00 0.00 O ATOM 885 CB VAL A 56 2.433 10.237 -5.233 1.00 0.00 C ATOM 886 CG1 VAL A 56 1.589 9.152 -5.883 1.00 0.00 C ATOM 887 CG2 VAL A 56 3.865 9.765 -5.054 1.00 0.00 C ATOM 0 H VAL A 56 2.910 12.737 -4.455 1.00 0.00 H new ATOM 0 HA VAL A 56 2.855 11.315 -7.029 1.00 0.00 H new ATOM 0 HB VAL A 56 2.022 10.452 -4.246 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.635 8.245 -5.280 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.555 9.489 -5.954 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.972 8.943 -6.882 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.875 8.851 -4.460 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.308 9.568 -6.030 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.441 10.537 -4.543 1.00 0.00 H new ATOM 897 N GLU A 57 0.497 12.123 -7.475 1.00 0.00 N ATOM 898 CA GLU A 57 -0.880 12.523 -7.698 1.00 0.00 C ATOM 899 C GLU A 57 -1.654 11.426 -8.402 1.00 0.00 C ATOM 900 O GLU A 57 -2.769 11.094 -8.000 1.00 0.00 O ATOM 901 CB GLU A 57 -0.989 13.826 -8.492 1.00 0.00 C ATOM 902 CG GLU A 57 -2.424 14.323 -8.580 1.00 0.00 C ATOM 903 CD GLU A 57 -2.577 15.598 -9.376 1.00 0.00 C ATOM 904 OE1 GLU A 57 -2.490 16.688 -8.783 1.00 0.00 O ATOM 905 OE2 GLU A 57 -2.815 15.513 -10.599 1.00 0.00 O ATOM 0 H GLU A 57 1.056 11.998 -8.319 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.315 12.698 -6.714 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.369 14.590 -8.022 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.597 13.672 -9.497 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.041 13.547 -9.032 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.805 14.486 -7.572 1.00 0.00 H new ATOM 912 N ASP A 58 -1.079 10.838 -9.446 1.00 0.00 N ATOM 913 CA ASP A 58 -1.823 9.838 -10.182 1.00 0.00 C ATOM 914 C ASP A 58 -1.237 8.473 -9.921 1.00 0.00 C ATOM 915 O ASP A 58 -0.040 8.341 -9.679 1.00 0.00 O ATOM 916 CB ASP A 58 -1.848 10.134 -11.683 1.00 0.00 C ATOM 917 CG ASP A 58 -2.891 9.300 -12.404 1.00 0.00 C ATOM 918 OD1 ASP A 58 -4.088 9.439 -12.081 1.00 0.00 O ATOM 919 OD2 ASP A 58 -2.532 8.513 -13.304 1.00 0.00 O ATOM 0 H ASP A 58 -0.137 11.030 -9.787 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.855 9.862 -9.833 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.056 11.192 -11.841 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.865 9.935 -12.109 1.00 0.00 H new ATOM 924 N ALA A 59 -2.086 7.471 -9.931 1.00 0.00 N ATOM 925 CA ALA A 59 -1.662 6.105 -9.727 1.00 0.00 C ATOM 926 C ALA A 59 -2.613 5.173 -10.447 1.00 0.00 C ATOM 927 O ALA A 59 -3.809 5.148 -10.160 1.00 0.00 O ATOM 928 CB ALA A 59 -1.601 5.774 -8.242 1.00 0.00 C ATOM 0 H ALA A 59 -3.089 7.580 -10.081 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.659 5.977 -10.135 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.280 4.741 -8.112 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.891 6.439 -7.750 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.588 5.905 -7.799 1.00 0.00 H new ATOM 934 N LYS A 60 -2.090 4.426 -11.395 1.00 0.00 N ATOM 935 CA LYS A 60 -2.904 3.520 -12.160 1.00 0.00 C ATOM 936 C LYS A 60 -2.507 2.118 -11.797 1.00 0.00 C ATOM 937 O LYS A 60 -1.396 1.687 -12.085 1.00 0.00 O ATOM 938 CB LYS A 60 -2.727 3.766 -13.657 1.00 0.00 C ATOM 939 CG LYS A 60 -3.333 5.072 -14.142 1.00 0.00 C ATOM 940 CD LYS A 60 -4.845 5.068 -13.996 1.00 0.00 C ATOM 941 CE LYS A 60 -5.464 6.330 -14.570 1.00 0.00 C ATOM 942 NZ LYS A 60 -5.071 7.540 -13.805 1.00 0.00 N ATOM 0 H LYS A 60 -1.103 4.432 -11.651 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.958 3.679 -11.930 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.663 3.761 -13.893 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.179 2.941 -14.207 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.913 5.903 -13.575 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.067 5.233 -15.187 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.258 4.196 -14.503 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.109 4.979 -12.942 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.158 6.443 -15.610 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.550 6.235 -14.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.654 8.346 -14.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.215 7.370 -12.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.068 7.752 -13.982 1.00 0.00 H new ATOM 956 N PHE A 61 -3.390 1.424 -11.130 1.00 0.00 N ATOM 957 CA PHE A 61 -3.065 0.114 -10.637 1.00 0.00 C ATOM 958 C PHE A 61 -4.090 -0.897 -11.082 1.00 0.00 C ATOM 959 O PHE A 61 -5.219 -0.921 -10.593 1.00 0.00 O ATOM 960 CB PHE A 61 -2.906 0.115 -9.108 1.00 0.00 C ATOM 961 CG PHE A 61 -3.957 0.891 -8.367 1.00 0.00 C ATOM 962 CD1 PHE A 61 -3.844 2.265 -8.214 1.00 0.00 C ATOM 963 CD2 PHE A 61 -5.051 0.249 -7.819 1.00 0.00 C ATOM 964 CE1 PHE A 61 -4.806 2.980 -7.531 1.00 0.00 C ATOM 965 CE2 PHE A 61 -6.013 0.958 -7.135 1.00 0.00 C ATOM 966 CZ PHE A 61 -5.892 2.327 -6.990 1.00 0.00 C ATOM 0 H PHE A 61 -4.335 1.742 -10.917 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.104 -0.175 -11.063 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.919 -0.916 -8.755 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.928 0.525 -8.859 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.993 2.781 -8.634 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.153 -0.821 -7.928 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.708 4.050 -7.421 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.863 0.444 -6.711 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.647 2.884 -6.454 1.00 0.00 H new ATOM 976 N GLU A 62 -3.700 -1.704 -12.048 1.00 0.00 N ATOM 977 CA GLU A 62 -4.504 -2.841 -12.429 1.00 0.00 C ATOM 978 C GLU A 62 -4.335 -3.898 -11.351 1.00 0.00 C ATOM 979 O GLU A 62 -3.481 -4.778 -11.460 1.00 0.00 O ATOM 980 CB GLU A 62 -4.088 -3.379 -13.800 1.00 0.00 C ATOM 981 CG GLU A 62 -4.972 -4.509 -14.299 1.00 0.00 C ATOM 982 CD GLU A 62 -4.473 -5.110 -15.593 1.00 0.00 C ATOM 983 OE1 GLU A 62 -3.428 -5.792 -15.571 1.00 0.00 O ATOM 984 OE2 GLU A 62 -5.125 -4.921 -16.638 1.00 0.00 O ATOM 0 H GLU A 62 -2.836 -1.593 -12.579 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.551 -2.552 -12.516 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.110 -2.564 -14.524 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.058 -3.730 -13.747 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.025 -5.287 -13.538 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.986 -4.135 -14.443 1.00 0.00 H new ATOM 991 N GLY A 63 -5.100 -3.744 -10.279 1.00 0.00 N ATOM 992 CA GLY A 63 -4.927 -4.575 -9.111 1.00 0.00 C ATOM 993 C GLY A 63 -5.986 -5.639 -8.998 1.00 0.00 C ATOM 994 O GLY A 63 -7.146 -5.347 -8.707 1.00 0.00 O ATOM 0 H GLY A 63 -5.844 -3.050 -10.201 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.945 -5.047 -9.147 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.948 -3.950 -8.218 1.00 0.00 H new ATOM 998 N GLU A 64 -5.579 -6.873 -9.219 1.00 0.00 N ATOM 999 CA GLU A 64 -6.476 -8.006 -9.153 1.00 0.00 C ATOM 1000 C GLU A 64 -5.881 -9.047 -8.227 1.00 0.00 C ATOM 1001 O GLU A 64 -4.684 -9.015 -7.953 1.00 0.00 O ATOM 1002 CB GLU A 64 -6.699 -8.577 -10.554 1.00 0.00 C ATOM 1003 CG GLU A 64 -5.411 -8.765 -11.340 1.00 0.00 C ATOM 1004 CD GLU A 64 -5.662 -9.149 -12.779 1.00 0.00 C ATOM 1005 OE1 GLU A 64 -5.952 -8.257 -13.596 1.00 0.00 O ATOM 1006 OE2 GLU A 64 -5.578 -10.351 -13.100 1.00 0.00 O ATOM 0 H GLU A 64 -4.616 -7.117 -9.450 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.445 -7.696 -8.761 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.209 -9.537 -10.470 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.361 -7.912 -11.109 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.833 -7.842 -11.309 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.807 -9.536 -10.862 1.00 0.00 H new ATOM 1013 N GLY A 65 -6.700 -9.942 -7.716 1.00 0.00 N ATOM 1014 CA GLY A 65 -6.197 -10.924 -6.789 1.00 0.00 C ATOM 1015 C GLY A 65 -7.209 -11.274 -5.732 1.00 0.00 C ATOM 1016 O GLY A 65 -8.369 -11.547 -6.039 1.00 0.00 O ATOM 0 H GLY A 65 -7.697 -10.008 -7.923 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.915 -11.825 -7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.293 -10.544 -6.313 1.00 0.00 H new ATOM 1020 N CYS A 66 -6.771 -11.261 -4.486 1.00 0.00 N ATOM 1021 CA CYS A 66 -7.635 -11.597 -3.379 1.00 0.00 C ATOM 1022 C CYS A 66 -8.079 -10.323 -2.678 1.00 0.00 C ATOM 1023 O CYS A 66 -7.520 -9.248 -2.926 1.00 0.00 O ATOM 1024 CB CYS A 66 -6.913 -12.534 -2.410 1.00 0.00 C ATOM 1025 SG CYS A 66 -5.326 -11.904 -1.809 1.00 0.00 S ATOM 0 H CYS A 66 -5.817 -11.020 -4.219 1.00 0.00 H new ATOM 0 HA CYS A 66 -8.518 -12.116 -3.751 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -7.562 -12.725 -1.555 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -6.747 -13.491 -2.904 1.00 0.00 H new ATOM 1031 N SER A 67 -9.048 -10.459 -1.787 1.00 0.00 N ATOM 1032 CA SER A 67 -9.713 -9.322 -1.168 1.00 0.00 C ATOM 1033 C SER A 67 -8.728 -8.335 -0.555 1.00 0.00 C ATOM 1034 O SER A 67 -8.808 -7.139 -0.815 1.00 0.00 O ATOM 1035 CB SER A 67 -10.686 -9.820 -0.102 1.00 0.00 C ATOM 1036 OG SER A 67 -10.056 -10.757 0.758 1.00 0.00 O ATOM 0 H SER A 67 -9.397 -11.364 -1.471 1.00 0.00 H new ATOM 0 HA SER A 67 -10.253 -8.790 -1.951 1.00 0.00 H new ATOM 0 HB2 SER A 67 -11.057 -8.977 0.481 1.00 0.00 H new ATOM 0 HB3 SER A 67 -11.550 -10.282 -0.579 1.00 0.00 H new ATOM 0 HG SER A 67 -10.696 -11.062 1.434 1.00 0.00 H new ATOM 1042 N ILE A 68 -7.775 -8.837 0.219 1.00 0.00 N ATOM 1043 CA ILE A 68 -6.900 -7.962 0.990 1.00 0.00 C ATOM 1044 C ILE A 68 -5.940 -7.176 0.098 1.00 0.00 C ATOM 1045 O ILE A 68 -5.681 -6.009 0.348 1.00 0.00 O ATOM 1046 CB ILE A 68 -6.127 -8.727 2.098 1.00 0.00 C ATOM 1047 CG1 ILE A 68 -5.542 -10.054 1.589 1.00 0.00 C ATOM 1048 CG2 ILE A 68 -7.036 -8.981 3.291 1.00 0.00 C ATOM 1049 CD1 ILE A 68 -4.217 -9.917 0.874 1.00 0.00 C ATOM 0 H ILE A 68 -7.589 -9.834 0.330 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.553 -7.244 1.485 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.291 -8.098 2.403 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.417 -10.730 2.435 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.260 -10.518 0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.483 -9.518 4.062 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.385 -8.029 3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.892 -9.578 2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.876 -10.900 0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.337 -9.269 0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.481 -9.484 1.551 1.00 0.00 H new ATOM 1061 N SER A 69 -5.463 -7.790 -0.972 1.00 0.00 N ATOM 1062 CA SER A 69 -4.479 -7.144 -1.835 1.00 0.00 C ATOM 1063 C SER A 69 -5.141 -6.037 -2.629 1.00 0.00 C ATOM 1064 O SER A 69 -4.628 -4.923 -2.740 1.00 0.00 O ATOM 1065 CB SER A 69 -3.885 -8.176 -2.781 1.00 0.00 C ATOM 1066 OG SER A 69 -3.685 -9.386 -2.084 1.00 0.00 O ATOM 0 H SER A 69 -5.736 -8.728 -1.265 1.00 0.00 H new ATOM 0 HA SER A 69 -3.685 -6.714 -1.224 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.552 -8.337 -3.628 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.939 -7.815 -3.185 1.00 0.00 H new ATOM 0 HG SER A 69 -4.383 -10.027 -2.333 1.00 0.00 H new ATOM 1072 N MET A 70 -6.312 -6.366 -3.137 1.00 0.00 N ATOM 1073 CA MET A 70 -7.095 -5.451 -3.941 1.00 0.00 C ATOM 1074 C MET A 70 -7.651 -4.342 -3.057 1.00 0.00 C ATOM 1075 O MET A 70 -7.954 -3.244 -3.530 1.00 0.00 O ATOM 1076 CB MET A 70 -8.228 -6.226 -4.633 1.00 0.00 C ATOM 1077 CG MET A 70 -9.001 -5.424 -5.662 1.00 0.00 C ATOM 1078 SD MET A 70 -10.245 -6.418 -6.510 1.00 0.00 S ATOM 1079 CE MET A 70 -10.921 -5.215 -7.651 1.00 0.00 C ATOM 0 H MET A 70 -6.748 -7.278 -3.003 1.00 0.00 H new ATOM 0 HA MET A 70 -6.468 -4.995 -4.707 1.00 0.00 H new ATOM 0 HB2 MET A 70 -7.806 -7.105 -5.119 1.00 0.00 H new ATOM 0 HB3 MET A 70 -8.923 -6.584 -3.873 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.486 -4.580 -5.172 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.307 -5.012 -6.395 1.00 0.00 H new ATOM 0 HE1 MET A 70 -11.705 -5.680 -8.248 1.00 0.00 H new ATOM 0 HE2 MET A 70 -11.339 -4.378 -7.092 1.00 0.00 H new ATOM 0 HE3 MET A 70 -10.131 -4.853 -8.309 1.00 0.00 H new ATOM 1089 N ALA A 71 -7.775 -4.635 -1.764 1.00 0.00 N ATOM 1090 CA ALA A 71 -8.319 -3.671 -0.817 1.00 0.00 C ATOM 1091 C ALA A 71 -7.233 -2.776 -0.236 1.00 0.00 C ATOM 1092 O ALA A 71 -7.249 -1.560 -0.421 1.00 0.00 O ATOM 1093 CB ALA A 71 -9.070 -4.379 0.301 1.00 0.00 C ATOM 0 H ALA A 71 -7.507 -5.529 -1.352 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.016 -3.037 -1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.468 -3.640 0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.891 -4.958 -0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.390 -5.047 0.830 1.00 0.00 H new ATOM 1099 N SER A 72 -6.277 -3.400 0.447 1.00 0.00 N ATOM 1100 CA SER A 72 -5.299 -2.680 1.255 1.00 0.00 C ATOM 1101 C SER A 72 -4.360 -1.841 0.395 1.00 0.00 C ATOM 1102 O SER A 72 -4.194 -0.645 0.647 1.00 0.00 O ATOM 1103 CB SER A 72 -4.498 -3.661 2.121 1.00 0.00 C ATOM 1104 OG SER A 72 -3.626 -2.978 3.007 1.00 0.00 O ATOM 0 H SER A 72 -6.159 -4.413 0.456 1.00 0.00 H new ATOM 0 HA SER A 72 -5.847 -1.997 1.904 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.183 -4.287 2.693 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.919 -4.326 1.480 1.00 0.00 H new ATOM 0 HG SER A 72 -3.747 -3.324 3.916 1.00 0.00 H new ATOM 1110 N ALA A 73 -3.768 -2.447 -0.634 1.00 0.00 N ATOM 1111 CA ALA A 73 -2.806 -1.735 -1.470 1.00 0.00 C ATOM 1112 C ALA A 73 -3.469 -0.544 -2.140 1.00 0.00 C ATOM 1113 O ALA A 73 -2.899 0.544 -2.220 1.00 0.00 O ATOM 1114 CB ALA A 73 -2.208 -2.666 -2.510 1.00 0.00 C ATOM 0 H ALA A 73 -3.935 -3.416 -0.905 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.999 -1.371 -0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.494 -2.116 -3.123 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.699 -3.490 -2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.002 -3.061 -3.144 1.00 0.00 H new ATOM 1120 N SER A 74 -4.693 -0.756 -2.588 1.00 0.00 N ATOM 1121 CA SER A 74 -5.467 0.286 -3.230 1.00 0.00 C ATOM 1122 C SER A 74 -5.870 1.357 -2.216 1.00 0.00 C ATOM 1123 O SER A 74 -5.972 2.535 -2.552 1.00 0.00 O ATOM 1124 CB SER A 74 -6.701 -0.333 -3.887 1.00 0.00 C ATOM 1125 OG SER A 74 -7.463 0.635 -4.584 1.00 0.00 O ATOM 0 H SER A 74 -5.175 -1.652 -2.517 1.00 0.00 H new ATOM 0 HA SER A 74 -4.859 0.766 -3.997 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.391 -1.118 -4.577 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.321 -0.805 -3.125 1.00 0.00 H new ATOM 0 HG SER A 74 -8.158 0.992 -3.992 1.00 0.00 H new ATOM 1131 N MET A 75 -6.080 0.947 -0.970 1.00 0.00 N ATOM 1132 CA MET A 75 -6.486 1.875 0.079 1.00 0.00 C ATOM 1133 C MET A 75 -5.307 2.751 0.478 1.00 0.00 C ATOM 1134 O MET A 75 -5.446 3.962 0.664 1.00 0.00 O ATOM 1135 CB MET A 75 -7.021 1.117 1.296 1.00 0.00 C ATOM 1136 CG MET A 75 -7.846 1.986 2.230 1.00 0.00 C ATOM 1137 SD MET A 75 -9.332 2.624 1.430 1.00 0.00 S ATOM 1138 CE MET A 75 -10.027 3.601 2.760 1.00 0.00 C ATOM 0 H MET A 75 -5.976 -0.020 -0.662 1.00 0.00 H new ATOM 0 HA MET A 75 -7.286 2.508 -0.305 1.00 0.00 H new ATOM 0 HB2 MET A 75 -7.631 0.281 0.955 1.00 0.00 H new ATOM 0 HB3 MET A 75 -6.183 0.695 1.850 1.00 0.00 H new ATOM 0 HG2 MET A 75 -8.129 1.406 3.109 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.237 2.820 2.581 1.00 0.00 H new ATOM 0 HE1 MET A 75 -10.955 4.065 2.425 1.00 0.00 H new ATOM 0 HE2 MET A 75 -10.232 2.957 3.616 1.00 0.00 H new ATOM 0 HE3 MET A 75 -9.318 4.376 3.051 1.00 0.00 H new ATOM 1148 N MET A 76 -4.136 2.136 0.578 1.00 0.00 N ATOM 1149 CA MET A 76 -2.914 2.875 0.861 1.00 0.00 C ATOM 1150 C MET A 76 -2.629 3.856 -0.268 1.00 0.00 C ATOM 1151 O MET A 76 -2.076 4.930 -0.048 1.00 0.00 O ATOM 1152 CB MET A 76 -1.730 1.923 1.038 1.00 0.00 C ATOM 1153 CG MET A 76 -1.871 0.977 2.220 1.00 0.00 C ATOM 1154 SD MET A 76 -0.443 -0.106 2.410 1.00 0.00 S ATOM 1155 CE MET A 76 0.856 1.089 2.731 1.00 0.00 C ATOM 0 H MET A 76 -4.007 1.130 0.468 1.00 0.00 H new ATOM 0 HA MET A 76 -3.052 3.426 1.791 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.609 1.336 0.128 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.820 2.510 1.162 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.006 1.558 3.132 1.00 0.00 H new ATOM 0 HG3 MET A 76 -2.768 0.371 2.092 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.614 1.021 1.950 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.432 2.093 2.740 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.312 0.879 3.699 1.00 0.00 H new ATOM 1165 N THR A 77 -3.040 3.485 -1.476 1.00 0.00 N ATOM 1166 CA THR A 77 -2.879 4.342 -2.641 1.00 0.00 C ATOM 1167 C THR A 77 -3.859 5.517 -2.594 1.00 0.00 C ATOM 1168 O THR A 77 -3.617 6.564 -3.184 1.00 0.00 O ATOM 1169 CB THR A 77 -3.076 3.543 -3.947 1.00 0.00 C ATOM 1170 OG1 THR A 77 -2.185 2.420 -3.968 1.00 0.00 O ATOM 1171 CG2 THR A 77 -2.813 4.412 -5.170 1.00 0.00 C ATOM 0 H THR A 77 -3.489 2.591 -1.672 1.00 0.00 H new ATOM 0 HA THR A 77 -1.862 4.734 -2.624 1.00 0.00 H new ATOM 0 HB THR A 77 -4.110 3.201 -3.979 1.00 0.00 H new ATOM 0 HG1 THR A 77 -2.641 1.634 -3.601 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.960 3.821 -6.074 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.503 5.256 -5.172 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.788 4.781 -5.140 1.00 0.00 H new ATOM 1179 N GLN A 78 -4.944 5.359 -1.845 1.00 0.00 N ATOM 1180 CA GLN A 78 -5.938 6.419 -1.707 1.00 0.00 C ATOM 1181 C GLN A 78 -5.354 7.551 -0.878 1.00 0.00 C ATOM 1182 O GLN A 78 -5.658 8.724 -1.090 1.00 0.00 O ATOM 1183 CB GLN A 78 -7.221 5.902 -1.045 1.00 0.00 C ATOM 1184 CG GLN A 78 -8.061 4.984 -1.925 1.00 0.00 C ATOM 1185 CD GLN A 78 -8.745 5.711 -3.073 1.00 0.00 C ATOM 1186 OE1 GLN A 78 -8.222 6.677 -3.624 1.00 0.00 O ATOM 1187 NE2 GLN A 78 -9.930 5.248 -3.439 1.00 0.00 N ATOM 0 H GLN A 78 -5.159 4.509 -1.324 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.196 6.778 -2.703 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.954 5.367 -0.134 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.830 6.755 -0.747 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.424 4.198 -2.330 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.818 4.496 -1.311 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.334 4.444 -2.959 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -10.439 5.696 -4.201 1.00 0.00 H new ATOM 1196 N ALA A 79 -4.509 7.180 0.071 1.00 0.00 N ATOM 1197 CA ALA A 79 -3.785 8.152 0.872 1.00 0.00 C ATOM 1198 C ALA A 79 -2.531 8.613 0.138 1.00 0.00 C ATOM 1199 O ALA A 79 -2.141 9.778 0.228 1.00 0.00 O ATOM 1200 CB ALA A 79 -3.424 7.557 2.224 1.00 0.00 C ATOM 0 H ALA A 79 -4.308 6.208 0.305 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.427 9.018 1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.882 8.296 2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.335 7.270 2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.796 6.678 2.079 1.00 0.00 H new ATOM 1206 N ILE A 80 -1.936 7.700 -0.625 1.00 0.00 N ATOM 1207 CA ILE A 80 -0.663 7.967 -1.298 1.00 0.00 C ATOM 1208 C ILE A 80 -0.855 8.922 -2.484 1.00 0.00 C ATOM 1209 O ILE A 80 0.020 9.732 -2.790 1.00 0.00 O ATOM 1210 CB ILE A 80 0.008 6.632 -1.753 1.00 0.00 C ATOM 1211 CG1 ILE A 80 1.488 6.590 -1.346 1.00 0.00 C ATOM 1212 CG2 ILE A 80 -0.134 6.401 -3.255 1.00 0.00 C ATOM 1213 CD1 ILE A 80 2.369 7.569 -2.092 1.00 0.00 C ATOM 0 H ILE A 80 -2.313 6.768 -0.794 1.00 0.00 H new ATOM 0 HA ILE A 80 0.002 8.456 -0.586 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.518 5.825 -1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.564 6.792 -0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.868 5.581 -1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.347 5.461 -3.526 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.191 6.356 -3.518 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.340 7.220 -3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.397 7.472 -1.743 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.327 7.356 -3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.018 8.585 -1.911 1.00 0.00 H new ATOM 1225 N LYS A 81 -2.020 8.834 -3.120 1.00 0.00 N ATOM 1226 CA LYS A 81 -2.347 9.652 -4.293 1.00 0.00 C ATOM 1227 C LYS A 81 -2.404 11.142 -3.963 1.00 0.00 C ATOM 1228 O LYS A 81 -2.408 11.979 -4.861 1.00 0.00 O ATOM 1229 CB LYS A 81 -3.689 9.225 -4.886 1.00 0.00 C ATOM 1230 CG LYS A 81 -4.880 9.614 -4.025 1.00 0.00 C ATOM 1231 CD LYS A 81 -6.192 9.225 -4.675 1.00 0.00 C ATOM 1232 CE LYS A 81 -7.378 9.732 -3.873 1.00 0.00 C ATOM 1233 NZ LYS A 81 -8.666 9.318 -4.481 1.00 0.00 N ATOM 0 H LYS A 81 -2.765 8.196 -2.840 1.00 0.00 H new ATOM 0 HA LYS A 81 -1.548 9.492 -5.017 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -3.801 9.674 -5.873 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.689 8.144 -5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.799 9.130 -3.052 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.866 10.690 -3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.234 9.631 -5.686 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.248 8.140 -4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.318 9.352 -2.853 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.337 10.819 -3.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.442 9.867 -4.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.638 9.492 -5.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.823 8.305 -4.306 1.00 0.00 H new ATOM 1247 N GLY A 82 -2.510 11.473 -2.684 1.00 0.00 N ATOM 1248 CA GLY A 82 -2.654 12.862 -2.307 1.00 0.00 C ATOM 1249 C GLY A 82 -1.515 13.360 -1.445 1.00 0.00 C ATOM 1250 O GLY A 82 -1.700 14.272 -0.636 1.00 0.00 O ATOM 0 H GLY A 82 -2.499 10.811 -1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.715 13.473 -3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.593 12.992 -1.769 1.00 0.00 H new ATOM 1254 N LYS A 83 -0.337 12.765 -1.597 1.00 0.00 N ATOM 1255 CA LYS A 83 0.822 13.185 -0.821 1.00 0.00 C ATOM 1256 C LYS A 83 2.069 13.330 -1.701 1.00 0.00 C ATOM 1257 O LYS A 83 1.969 13.541 -2.910 1.00 0.00 O ATOM 1258 CB LYS A 83 1.066 12.223 0.352 1.00 0.00 C ATOM 1259 CG LYS A 83 0.015 12.363 1.447 1.00 0.00 C ATOM 1260 CD LYS A 83 0.328 11.527 2.681 1.00 0.00 C ATOM 1261 CE LYS A 83 -0.665 11.826 3.800 1.00 0.00 C ATOM 1262 NZ LYS A 83 -0.385 11.057 5.043 1.00 0.00 N ATOM 0 H LYS A 83 -0.161 11.997 -2.245 1.00 0.00 H new ATOM 0 HA LYS A 83 0.610 14.171 -0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.068 11.197 -0.017 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.053 12.412 0.774 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.064 13.411 1.735 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.956 12.067 1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.290 10.467 2.428 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.342 11.737 3.022 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.641 12.892 4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.673 11.596 3.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.090 11.300 5.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.434 10.038 4.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.566 11.295 5.391 1.00 0.00 H new ATOM 1276 N ASP A 84 3.242 13.210 -1.092 1.00 0.00 N ATOM 1277 CA ASP A 84 4.486 13.509 -1.741 1.00 0.00 C ATOM 1278 C ASP A 84 5.441 12.393 -1.405 1.00 0.00 C ATOM 1279 O ASP A 84 5.281 11.716 -0.394 1.00 0.00 O ATOM 1280 CB ASP A 84 5.086 14.834 -1.239 1.00 0.00 C ATOM 1281 CG ASP A 84 4.048 15.846 -0.799 1.00 0.00 C ATOM 1282 OD1 ASP A 84 3.651 15.804 0.384 1.00 0.00 O ATOM 1283 OD2 ASP A 84 3.638 16.692 -1.618 1.00 0.00 O ATOM 0 H ASP A 84 3.344 12.899 -0.126 1.00 0.00 H new ATOM 0 HA ASP A 84 4.318 13.603 -2.814 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.755 14.626 -0.404 1.00 0.00 H new ATOM 0 HB3 ASP A 84 5.693 15.271 -2.032 1.00 0.00 H new ATOM 1288 N ILE A 85 6.425 12.220 -2.235 1.00 0.00 N ATOM 1289 CA ILE A 85 7.464 11.217 -2.016 1.00 0.00 C ATOM 1290 C ILE A 85 8.201 11.530 -0.722 1.00 0.00 C ATOM 1291 O ILE A 85 8.459 10.651 0.096 1.00 0.00 O ATOM 1292 CB ILE A 85 8.478 11.161 -3.187 1.00 0.00 C ATOM 1293 CG1 ILE A 85 7.824 10.604 -4.455 1.00 0.00 C ATOM 1294 CG2 ILE A 85 9.690 10.322 -2.814 1.00 0.00 C ATOM 1295 CD1 ILE A 85 6.786 11.518 -5.068 1.00 0.00 C ATOM 0 H ILE A 85 6.545 12.764 -3.090 1.00 0.00 H new ATOM 0 HA ILE A 85 6.978 10.243 -1.953 1.00 0.00 H new ATOM 0 HB ILE A 85 8.807 12.181 -3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.600 10.406 -5.194 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.357 9.648 -4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.387 10.298 -3.651 1.00 0.00 H new ATOM 0 HG22 ILE A 85 10.182 10.759 -1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.371 9.307 -2.578 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.371 11.050 -5.961 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.988 11.696 -4.348 1.00 0.00 H new ATOM 0 HD13 ILE A 85 7.250 12.467 -5.337 1.00 0.00 H new ATOM 1307 N GLU A 86 8.488 12.808 -0.542 1.00 0.00 N ATOM 1308 CA GLU A 86 9.141 13.317 0.654 1.00 0.00 C ATOM 1309 C GLU A 86 8.347 12.918 1.899 1.00 0.00 C ATOM 1310 O GLU A 86 8.907 12.502 2.916 1.00 0.00 O ATOM 1311 CB GLU A 86 9.228 14.838 0.530 1.00 0.00 C ATOM 1312 CG GLU A 86 10.140 15.519 1.529 1.00 0.00 C ATOM 1313 CD GLU A 86 10.275 16.999 1.234 1.00 0.00 C ATOM 1314 OE1 GLU A 86 11.079 17.359 0.349 1.00 0.00 O ATOM 1315 OE2 GLU A 86 9.552 17.803 1.860 1.00 0.00 O ATOM 0 H GLU A 86 8.272 13.530 -1.229 1.00 0.00 H new ATOM 0 HA GLU A 86 10.141 12.895 0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.569 15.085 -0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.226 15.252 0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.746 15.382 2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.124 15.050 1.505 1.00 0.00 H new ATOM 1322 N THR A 87 7.031 13.017 1.794 1.00 0.00 N ATOM 1323 CA THR A 87 6.148 12.676 2.893 1.00 0.00 C ATOM 1324 C THR A 87 5.960 11.158 3.001 1.00 0.00 C ATOM 1325 O THR A 87 5.834 10.615 4.096 1.00 0.00 O ATOM 1326 CB THR A 87 4.784 13.368 2.713 1.00 0.00 C ATOM 1327 OG1 THR A 87 4.992 14.761 2.440 1.00 0.00 O ATOM 1328 CG2 THR A 87 3.916 13.221 3.956 1.00 0.00 C ATOM 0 H THR A 87 6.550 13.333 0.952 1.00 0.00 H new ATOM 0 HA THR A 87 6.607 13.027 3.817 1.00 0.00 H new ATOM 0 HB THR A 87 4.267 12.891 1.880 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.300 15.081 1.824 1.00 0.00 H new ATOM 0 HG21 THR A 87 2.961 13.721 3.794 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.743 12.164 4.156 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.422 13.673 4.809 1.00 0.00 H new ATOM 1336 N ALA A 88 5.963 10.477 1.860 1.00 0.00 N ATOM 1337 CA ALA A 88 5.814 9.026 1.827 1.00 0.00 C ATOM 1338 C ALA A 88 7.021 8.344 2.460 1.00 0.00 C ATOM 1339 O ALA A 88 6.880 7.376 3.203 1.00 0.00 O ATOM 1340 CB ALA A 88 5.624 8.548 0.396 1.00 0.00 C ATOM 0 H ALA A 88 6.067 10.909 0.942 1.00 0.00 H new ATOM 0 HA ALA A 88 4.930 8.758 2.405 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.514 7.464 0.386 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.730 9.007 -0.025 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.492 8.830 -0.200 1.00 0.00 H new ATOM 1346 N LEU A 89 8.204 8.867 2.170 1.00 0.00 N ATOM 1347 CA LEU A 89 9.437 8.360 2.762 1.00 0.00 C ATOM 1348 C LEU A 89 9.441 8.591 4.267 1.00 0.00 C ATOM 1349 O LEU A 89 10.004 7.809 5.029 1.00 0.00 O ATOM 1350 CB LEU A 89 10.656 9.024 2.115 1.00 0.00 C ATOM 1351 CG LEU A 89 11.229 8.298 0.893 1.00 0.00 C ATOM 1352 CD1 LEU A 89 10.144 7.986 -0.119 1.00 0.00 C ATOM 1353 CD2 LEU A 89 12.322 9.132 0.249 1.00 0.00 C ATOM 0 H LEU A 89 8.338 9.646 1.525 1.00 0.00 H new ATOM 0 HA LEU A 89 9.491 7.287 2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.383 10.037 1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 89 11.442 9.112 2.865 1.00 0.00 H new ATOM 0 HG LEU A 89 11.656 7.354 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.581 7.471 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.389 7.348 0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.680 8.914 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 89 12.720 8.604 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.910 10.090 -0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 89 13.122 9.302 0.969 1.00 0.00 H new ATOM 1365 N SER A 90 8.796 9.663 4.691 1.00 0.00 N ATOM 1366 CA SER A 90 8.637 9.941 6.107 1.00 0.00 C ATOM 1367 C SER A 90 7.620 8.977 6.722 1.00 0.00 C ATOM 1368 O SER A 90 7.758 8.562 7.872 1.00 0.00 O ATOM 1369 CB SER A 90 8.202 11.393 6.305 1.00 0.00 C ATOM 1370 OG SER A 90 9.139 12.281 5.712 1.00 0.00 O ATOM 0 H SER A 90 8.373 10.356 4.074 1.00 0.00 H new ATOM 0 HA SER A 90 9.592 9.795 6.612 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.217 11.547 5.863 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.111 11.609 7.369 1.00 0.00 H new ATOM 0 HG SER A 90 8.999 12.305 4.742 1.00 0.00 H new ATOM 1376 N MET A 91 6.614 8.606 5.934 1.00 0.00 N ATOM 1377 CA MET A 91 5.593 7.654 6.366 1.00 0.00 C ATOM 1378 C MET A 91 6.190 6.261 6.539 1.00 0.00 C ATOM 1379 O MET A 91 5.803 5.512 7.423 1.00 0.00 O ATOM 1380 CB MET A 91 4.456 7.610 5.345 1.00 0.00 C ATOM 1381 CG MET A 91 3.347 6.630 5.689 1.00 0.00 C ATOM 1382 SD MET A 91 2.127 6.490 4.367 1.00 0.00 S ATOM 1383 CE MET A 91 1.554 8.183 4.272 1.00 0.00 C ATOM 0 H MET A 91 6.483 8.954 4.984 1.00 0.00 H new ATOM 0 HA MET A 91 5.201 7.983 7.328 1.00 0.00 H new ATOM 0 HB2 MET A 91 4.028 8.608 5.252 1.00 0.00 H new ATOM 0 HB3 MET A 91 4.868 7.348 4.370 1.00 0.00 H new ATOM 0 HG2 MET A 91 3.780 5.649 5.887 1.00 0.00 H new ATOM 0 HG3 MET A 91 2.852 6.951 6.605 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.590 8.213 3.764 1.00 0.00 H new ATOM 0 HE2 MET A 91 1.447 8.588 5.278 1.00 0.00 H new ATOM 0 HE3 MET A 91 2.276 8.781 3.715 1.00 0.00 H new ATOM 1393 N SER A 92 7.148 5.926 5.697 1.00 0.00 N ATOM 1394 CA SER A 92 7.812 4.642 5.771 1.00 0.00 C ATOM 1395 C SER A 92 8.898 4.689 6.829 1.00 0.00 C ATOM 1396 O SER A 92 9.195 3.683 7.473 1.00 0.00 O ATOM 1397 CB SER A 92 8.380 4.258 4.403 1.00 0.00 C ATOM 1398 OG SER A 92 8.968 5.377 3.761 1.00 0.00 O ATOM 0 H SER A 92 7.485 6.532 4.949 1.00 0.00 H new ATOM 0 HA SER A 92 7.091 3.876 6.055 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.125 3.471 4.523 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.585 3.852 3.777 1.00 0.00 H new ATOM 0 HG SER A 92 9.307 6.001 4.436 1.00 0.00 H new ATOM 1404 N LYS A 93 9.473 5.874 7.028 1.00 0.00 N ATOM 1405 CA LYS A 93 10.428 6.078 8.105 1.00 0.00 C ATOM 1406 C LYS A 93 9.736 5.883 9.449 1.00 0.00 C ATOM 1407 O LYS A 93 10.282 5.255 10.357 1.00 0.00 O ATOM 1408 CB LYS A 93 11.048 7.476 8.029 1.00 0.00 C ATOM 1409 CG LYS A 93 12.121 7.723 9.080 1.00 0.00 C ATOM 1410 CD LYS A 93 12.650 9.150 9.027 1.00 0.00 C ATOM 1411 CE LYS A 93 13.291 9.468 7.685 1.00 0.00 C ATOM 1412 NZ LYS A 93 13.917 10.815 7.677 1.00 0.00 N ATOM 0 H LYS A 93 9.293 6.701 6.458 1.00 0.00 H new ATOM 0 HA LYS A 93 11.229 5.346 8.001 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.481 7.619 7.039 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.260 8.221 8.144 1.00 0.00 H new ATOM 0 HG2 LYS A 93 11.712 7.524 10.070 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.944 7.025 8.929 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.833 9.847 9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.381 9.296 9.822 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.045 8.715 7.455 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.537 9.413 6.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.343 10.994 6.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.193 11.536 7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.654 10.859 8.409 1.00 0.00 H new ATOM 1426 N ILE A 94 8.520 6.413 9.570 1.00 0.00 N ATOM 1427 CA ILE A 94 7.745 6.227 10.784 1.00 0.00 C ATOM 1428 C ILE A 94 7.106 4.840 10.790 1.00 0.00 C ATOM 1429 O ILE A 94 6.832 4.284 11.852 1.00 0.00 O ATOM 1430 CB ILE A 94 6.665 7.326 10.979 1.00 0.00 C ATOM 1431 CG1 ILE A 94 6.092 7.258 12.399 1.00 0.00 C ATOM 1432 CG2 ILE A 94 5.549 7.195 9.952 1.00 0.00 C ATOM 1433 CD1 ILE A 94 5.084 8.347 12.707 1.00 0.00 C ATOM 0 H ILE A 94 8.059 6.967 8.849 1.00 0.00 H new ATOM 0 HA ILE A 94 8.435 6.313 11.624 1.00 0.00 H new ATOM 0 HB ILE A 94 7.141 8.296 10.833 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.618 6.287 12.543 1.00 0.00 H new ATOM 0 HG13 ILE A 94 6.912 7.322 13.115 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.810 7.979 10.116 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.964 7.292 8.949 1.00 0.00 H new ATOM 0 HG23 ILE A 94 5.073 6.220 10.055 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.725 8.231 13.730 1.00 0.00 H new ATOM 0 HD12 ILE A 94 5.557 9.323 12.597 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.244 8.271 12.016 1.00 0.00 H new ATOM 1445 N PHE A 95 6.891 4.265 9.601 1.00 0.00 N ATOM 1446 CA PHE A 95 6.415 2.886 9.519 1.00 0.00 C ATOM 1447 C PHE A 95 7.452 1.947 10.133 1.00 0.00 C ATOM 1448 O PHE A 95 7.113 1.008 10.851 1.00 0.00 O ATOM 1449 CB PHE A 95 6.126 2.479 8.069 1.00 0.00 C ATOM 1450 CG PHE A 95 5.456 1.136 7.947 1.00 0.00 C ATOM 1451 CD1 PHE A 95 6.207 -0.027 7.855 1.00 0.00 C ATOM 1452 CD2 PHE A 95 4.075 1.039 7.927 1.00 0.00 C ATOM 1453 CE1 PHE A 95 5.591 -1.259 7.747 1.00 0.00 C ATOM 1454 CE2 PHE A 95 3.453 -0.191 7.818 1.00 0.00 C ATOM 1455 CZ PHE A 95 4.212 -1.341 7.728 1.00 0.00 C ATOM 0 H PHE A 95 7.036 4.724 8.702 1.00 0.00 H new ATOM 0 HA PHE A 95 5.481 2.813 10.077 1.00 0.00 H new ATOM 0 HB2 PHE A 95 5.493 3.236 7.606 1.00 0.00 H new ATOM 0 HB3 PHE A 95 7.062 2.462 7.511 1.00 0.00 H new ATOM 0 HD1 PHE A 95 7.285 0.031 7.868 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.476 1.935 7.997 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.187 -2.157 7.677 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.375 -0.252 7.803 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.728 -2.303 7.643 1.00 0.00 H new ATOM 1465 N SER A 96 8.721 2.223 9.854 1.00 0.00 N ATOM 1466 CA SER A 96 9.819 1.456 10.424 1.00 0.00 C ATOM 1467 C SER A 96 9.888 1.647 11.939 1.00 0.00 C ATOM 1468 O SER A 96 10.272 0.735 12.678 1.00 0.00 O ATOM 1469 CB SER A 96 11.142 1.892 9.790 1.00 0.00 C ATOM 1470 OG SER A 96 11.125 1.721 8.380 1.00 0.00 O ATOM 0 H SER A 96 9.014 2.977 9.233 1.00 0.00 H new ATOM 0 HA SER A 96 9.644 0.401 10.215 1.00 0.00 H new ATOM 0 HB2 SER A 96 11.333 2.938 10.028 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.960 1.313 10.218 1.00 0.00 H new ATOM 0 HG SER A 96 10.501 2.362 7.980 1.00 0.00 H new ATOM 1476 N ASP A 97 9.501 2.833 12.394 1.00 0.00 N ATOM 1477 CA ASP A 97 9.550 3.166 13.814 1.00 0.00 C ATOM 1478 C ASP A 97 8.353 2.574 14.548 1.00 0.00 C ATOM 1479 O ASP A 97 8.423 2.299 15.743 1.00 0.00 O ATOM 1480 CB ASP A 97 9.572 4.686 14.004 1.00 0.00 C ATOM 1481 CG ASP A 97 9.847 5.091 15.438 1.00 0.00 C ATOM 1482 OD1 ASP A 97 8.899 5.138 16.247 1.00 0.00 O ATOM 1483 OD2 ASP A 97 11.024 5.367 15.761 1.00 0.00 O ATOM 0 H ASP A 97 9.149 3.583 11.799 1.00 0.00 H new ATOM 0 HA ASP A 97 10.463 2.740 14.231 1.00 0.00 H new ATOM 0 HB2 ASP A 97 10.334 5.118 13.356 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.614 5.101 13.691 1.00 0.00 H new ATOM 1488 N MET A 98 7.266 2.361 13.814 1.00 0.00 N ATOM 1489 CA MET A 98 6.013 1.856 14.377 1.00 0.00 C ATOM 1490 C MET A 98 6.234 0.625 15.254 1.00 0.00 C ATOM 1491 O MET A 98 5.629 0.495 16.313 1.00 0.00 O ATOM 1492 CB MET A 98 5.045 1.503 13.247 1.00 0.00 C ATOM 1493 CG MET A 98 3.700 0.984 13.729 1.00 0.00 C ATOM 1494 SD MET A 98 2.652 0.407 12.378 1.00 0.00 S ATOM 1495 CE MET A 98 2.567 1.883 11.363 1.00 0.00 C ATOM 0 H MET A 98 7.226 2.533 12.809 1.00 0.00 H new ATOM 0 HA MET A 98 5.594 2.644 15.003 1.00 0.00 H new ATOM 0 HB2 MET A 98 4.883 2.387 12.631 1.00 0.00 H new ATOM 0 HB3 MET A 98 5.506 0.750 12.608 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.861 0.167 14.433 1.00 0.00 H new ATOM 0 HG3 MET A 98 3.183 1.775 14.272 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.528 2.088 11.106 1.00 0.00 H new ATOM 0 HE2 MET A 98 2.978 2.728 11.915 1.00 0.00 H new ATOM 0 HE3 MET A 98 3.143 1.731 10.450 1.00 0.00 H new ATOM 1505 N MET A 99 7.125 -0.252 14.818 1.00 0.00 N ATOM 1506 CA MET A 99 7.370 -1.514 15.510 1.00 0.00 C ATOM 1507 C MET A 99 8.220 -1.292 16.756 1.00 0.00 C ATOM 1508 O MET A 99 8.120 -2.034 17.732 1.00 0.00 O ATOM 1509 CB MET A 99 8.048 -2.507 14.549 1.00 0.00 C ATOM 1510 CG MET A 99 8.333 -3.884 15.144 1.00 0.00 C ATOM 1511 SD MET A 99 9.839 -3.932 16.140 1.00 0.00 S ATOM 1512 CE MET A 99 9.847 -5.649 16.645 1.00 0.00 C ATOM 0 H MET A 99 7.695 -0.114 13.983 1.00 0.00 H new ATOM 0 HA MET A 99 6.417 -1.933 15.833 1.00 0.00 H new ATOM 0 HB2 MET A 99 7.414 -2.631 13.671 1.00 0.00 H new ATOM 0 HB3 MET A 99 8.988 -2.074 14.206 1.00 0.00 H new ATOM 0 HG2 MET A 99 7.487 -4.188 15.761 1.00 0.00 H new ATOM 0 HG3 MET A 99 8.416 -4.611 14.336 1.00 0.00 H new ATOM 0 HE1 MET A 99 10.719 -5.840 17.270 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.941 -5.866 17.211 1.00 0.00 H new ATOM 0 HE3 MET A 99 9.885 -6.288 15.763 1.00 0.00 H new ATOM 1522 N GLN A 100 9.021 -0.239 16.736 1.00 0.00 N ATOM 1523 CA GLN A 100 9.993 0.001 17.792 1.00 0.00 C ATOM 1524 C GLN A 100 9.430 0.950 18.836 1.00 0.00 C ATOM 1525 O GLN A 100 9.681 0.799 20.032 1.00 0.00 O ATOM 1526 CB GLN A 100 11.282 0.580 17.198 1.00 0.00 C ATOM 1527 CG GLN A 100 12.000 -0.355 16.233 1.00 0.00 C ATOM 1528 CD GLN A 100 12.783 -1.458 16.929 1.00 0.00 C ATOM 1529 OE1 GLN A 100 13.801 -1.924 16.412 1.00 0.00 O ATOM 1530 NE2 GLN A 100 12.326 -1.882 18.099 1.00 0.00 N ATOM 0 H GLN A 100 9.018 0.465 15.998 1.00 0.00 H new ATOM 0 HA GLN A 100 10.217 -0.950 18.276 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.044 1.508 16.678 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.961 0.835 18.012 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.268 -0.807 15.564 1.00 0.00 H new ATOM 0 HG3 GLN A 100 12.681 0.228 15.613 1.00 0.00 H new ATOM 0 HE21 GLN A 100 11.480 -1.472 18.495 1.00 0.00 H new ATOM 0 HE22 GLN A 100 12.820 -2.618 18.603 1.00 0.00 H new ATOM 1539 N GLY A 101 8.666 1.924 18.371 1.00 0.00 N ATOM 1540 CA GLY A 101 8.073 2.890 19.267 1.00 0.00 C ATOM 1541 C GLY A 101 6.864 2.329 19.982 1.00 0.00 C ATOM 1542 O GLY A 101 6.883 2.149 21.200 1.00 0.00 O ATOM 0 H GLY A 101 8.446 2.063 17.385 1.00 0.00 H new ATOM 0 HA2 GLY A 101 8.814 3.207 20.001 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.782 3.777 18.704 1.00 0.00 H new ATOM 1546 N LYS A 102 5.826 2.014 19.211 1.00 0.00 N ATOM 1547 CA LYS A 102 4.547 1.552 19.765 1.00 0.00 C ATOM 1548 C LYS A 102 3.706 0.885 18.685 1.00 0.00 C ATOM 1549 O LYS A 102 3.790 -0.322 18.457 1.00 0.00 O ATOM 1550 CB LYS A 102 3.725 2.720 20.353 1.00 0.00 C ATOM 1551 CG LYS A 102 4.216 3.263 21.686 1.00 0.00 C ATOM 1552 CD LYS A 102 3.369 4.439 22.152 1.00 0.00 C ATOM 1553 CE LYS A 102 1.935 4.024 22.448 1.00 0.00 C ATOM 1554 NZ LYS A 102 1.846 3.119 23.623 1.00 0.00 N ATOM 0 H LYS A 102 5.842 2.070 18.193 1.00 0.00 H new ATOM 0 HA LYS A 102 4.786 0.842 20.557 1.00 0.00 H new ATOM 0 HB2 LYS A 102 3.717 3.535 19.630 1.00 0.00 H new ATOM 0 HB3 LYS A 102 2.693 2.390 20.473 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.187 2.472 22.436 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.256 3.576 21.592 1.00 0.00 H new ATOM 0 HD2 LYS A 102 3.813 4.874 23.047 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.372 5.214 21.386 1.00 0.00 H new ATOM 0 HE2 LYS A 102 1.331 4.913 22.629 1.00 0.00 H new ATOM 0 HE3 LYS A 102 1.515 3.526 21.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 0.849 2.997 23.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 2.255 2.194 23.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 2.372 3.532 24.420 1.00 0.00 H new ATOM 1568 N GLU A 103 2.917 1.716 18.014 1.00 0.00 N ATOM 1569 CA GLU A 103 1.966 1.293 17.003 1.00 0.00 C ATOM 1570 C GLU A 103 1.227 2.535 16.523 1.00 0.00 C ATOM 1571 O GLU A 103 0.164 2.879 17.043 1.00 0.00 O ATOM 1572 CB GLU A 103 0.974 0.274 17.584 1.00 0.00 C ATOM 1573 CG GLU A 103 -0.033 -0.270 16.583 1.00 0.00 C ATOM 1574 CD GLU A 103 -1.093 -1.126 17.243 1.00 0.00 C ATOM 1575 OE1 GLU A 103 -2.093 -0.564 17.736 1.00 0.00 O ATOM 1576 OE2 GLU A 103 -0.921 -2.364 17.294 1.00 0.00 O ATOM 0 H GLU A 103 2.924 2.725 18.164 1.00 0.00 H new ATOM 0 HA GLU A 103 2.484 0.809 16.175 1.00 0.00 H new ATOM 0 HB2 GLU A 103 1.535 -0.560 18.005 1.00 0.00 H new ATOM 0 HB3 GLU A 103 0.433 0.742 18.406 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.511 0.561 16.064 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.489 -0.859 15.829 1.00 0.00 H new ATOM 1583 N TYR A 104 1.823 3.245 15.577 1.00 0.00 N ATOM 1584 CA TYR A 104 1.310 4.531 15.156 1.00 0.00 C ATOM 1585 C TYR A 104 1.945 4.949 13.843 1.00 0.00 C ATOM 1586 O TYR A 104 3.131 4.727 13.612 1.00 0.00 O ATOM 1587 CB TYR A 104 1.565 5.601 16.228 1.00 0.00 C ATOM 1588 CG TYR A 104 3.032 5.876 16.516 1.00 0.00 C ATOM 1589 CD1 TYR A 104 3.826 4.944 17.176 1.00 0.00 C ATOM 1590 CD2 TYR A 104 3.622 7.071 16.121 1.00 0.00 C ATOM 1591 CE1 TYR A 104 5.161 5.197 17.435 1.00 0.00 C ATOM 1592 CE2 TYR A 104 4.954 7.331 16.375 1.00 0.00 C ATOM 1593 CZ TYR A 104 5.720 6.392 17.032 1.00 0.00 C ATOM 1594 OH TYR A 104 7.050 6.650 17.285 1.00 0.00 O ATOM 0 H TYR A 104 2.666 2.947 15.087 1.00 0.00 H new ATOM 0 HA TYR A 104 0.233 4.435 15.014 1.00 0.00 H new ATOM 0 HB2 TYR A 104 1.090 6.531 15.914 1.00 0.00 H new ATOM 0 HB3 TYR A 104 1.079 5.292 17.153 1.00 0.00 H new ATOM 0 HD1 TYR A 104 3.393 4.006 17.492 1.00 0.00 H new ATOM 0 HD2 TYR A 104 3.027 7.810 15.605 1.00 0.00 H new ATOM 0 HE1 TYR A 104 5.763 4.463 17.950 1.00 0.00 H new ATOM 0 HE2 TYR A 104 5.394 8.266 16.060 1.00 0.00 H new ATOM 0 HH TYR A 104 7.588 5.872 17.031 1.00 0.00 H new ATOM 1604 N ASP A 105 1.129 5.523 12.992 1.00 0.00 N ATOM 1605 CA ASP A 105 1.585 6.068 11.719 1.00 0.00 C ATOM 1606 C ASP A 105 1.038 7.473 11.533 1.00 0.00 C ATOM 1607 O ASP A 105 -0.163 7.648 11.322 1.00 0.00 O ATOM 1608 CB ASP A 105 1.135 5.177 10.557 1.00 0.00 C ATOM 1609 CG ASP A 105 1.636 5.661 9.205 1.00 0.00 C ATOM 1610 OD1 ASP A 105 1.113 6.676 8.696 1.00 0.00 O ATOM 1611 OD2 ASP A 105 2.542 5.015 8.642 1.00 0.00 O ATOM 0 H ASP A 105 0.128 5.630 13.155 1.00 0.00 H new ATOM 0 HA ASP A 105 2.674 6.102 11.728 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.491 4.161 10.727 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.046 5.135 10.540 1.00 0.00 H new ATOM 1616 N ASP A 106 1.921 8.461 11.677 1.00 0.00 N ATOM 1617 CA ASP A 106 1.612 9.879 11.428 1.00 0.00 C ATOM 1618 C ASP A 106 0.456 10.402 12.289 1.00 0.00 C ATOM 1619 O ASP A 106 0.676 11.083 13.287 1.00 0.00 O ATOM 1620 CB ASP A 106 1.308 10.117 9.946 1.00 0.00 C ATOM 1621 CG ASP A 106 1.035 11.578 9.644 1.00 0.00 C ATOM 1622 OD1 ASP A 106 -0.134 12.002 9.752 1.00 0.00 O ATOM 1623 OD2 ASP A 106 1.988 12.306 9.301 1.00 0.00 O ATOM 0 H ASP A 106 2.884 8.303 11.973 1.00 0.00 H new ATOM 0 HA ASP A 106 2.503 10.439 11.712 1.00 0.00 H new ATOM 0 HB2 ASP A 106 2.150 9.775 9.345 1.00 0.00 H new ATOM 0 HB3 ASP A 106 0.444 9.520 9.654 1.00 0.00 H new ATOM 1628 N SER A 107 -0.770 10.080 11.896 1.00 0.00 N ATOM 1629 CA SER A 107 -1.962 10.582 12.570 1.00 0.00 C ATOM 1630 C SER A 107 -2.410 9.623 13.671 1.00 0.00 C ATOM 1631 O SER A 107 -3.431 9.840 14.323 1.00 0.00 O ATOM 1632 CB SER A 107 -3.087 10.771 11.553 1.00 0.00 C ATOM 1633 OG SER A 107 -2.662 11.571 10.458 1.00 0.00 O ATOM 0 H SER A 107 -0.966 9.467 11.105 1.00 0.00 H new ATOM 0 HA SER A 107 -1.722 11.541 13.030 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.419 9.799 11.189 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.944 11.239 12.038 1.00 0.00 H new ATOM 0 HG SER A 107 -1.718 11.808 10.573 1.00 0.00 H new ATOM 1639 N ILE A 108 -1.624 8.566 13.871 1.00 0.00 N ATOM 1640 CA ILE A 108 -1.924 7.536 14.862 1.00 0.00 C ATOM 1641 C ILE A 108 -3.283 6.896 14.560 1.00 0.00 C ATOM 1642 O ILE A 108 -4.218 6.943 15.360 1.00 0.00 O ATOM 1643 CB ILE A 108 -1.879 8.055 16.332 1.00 0.00 C ATOM 1644 CG1 ILE A 108 -0.547 8.764 16.635 1.00 0.00 C ATOM 1645 CG2 ILE A 108 -2.071 6.903 17.316 1.00 0.00 C ATOM 1646 CD1 ILE A 108 -0.534 10.244 16.308 1.00 0.00 C ATOM 0 H ILE A 108 -0.762 8.401 13.351 1.00 0.00 H new ATOM 0 HA ILE A 108 -1.136 6.787 14.781 1.00 0.00 H new ATOM 0 HB ILE A 108 -2.692 8.772 16.448 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -0.314 8.636 17.692 1.00 0.00 H new ATOM 0 HG13 ILE A 108 0.247 8.274 16.072 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -2.036 7.286 18.336 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -3.037 6.430 17.139 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.277 6.169 17.177 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.442 10.662 16.553 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.732 10.384 15.245 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.303 10.752 16.890 1.00 0.00 H new ATOM 1658 N ASP A 109 -3.390 6.342 13.363 1.00 0.00 N ATOM 1659 CA ASP A 109 -4.542 5.536 12.980 1.00 0.00 C ATOM 1660 C ASP A 109 -4.020 4.274 12.323 1.00 0.00 C ATOM 1661 O ASP A 109 -3.239 4.341 11.376 1.00 0.00 O ATOM 1662 CB ASP A 109 -5.470 6.289 12.018 1.00 0.00 C ATOM 1663 CG ASP A 109 -6.818 5.600 11.844 1.00 0.00 C ATOM 1664 OD1 ASP A 109 -6.850 4.376 11.590 1.00 0.00 O ATOM 1665 OD2 ASP A 109 -7.858 6.280 11.986 1.00 0.00 O ATOM 0 H ASP A 109 -2.685 6.437 12.631 1.00 0.00 H new ATOM 0 HA ASP A 109 -5.131 5.301 13.867 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -5.629 7.301 12.390 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -4.984 6.379 11.046 1.00 0.00 H new ATOM 1670 N LEU A 110 -4.423 3.130 12.838 1.00 0.00 N ATOM 1671 CA LEU A 110 -3.846 1.871 12.398 1.00 0.00 C ATOM 1672 C LEU A 110 -4.883 1.008 11.700 1.00 0.00 C ATOM 1673 O LEU A 110 -4.652 -0.174 11.475 1.00 0.00 O ATOM 1674 CB LEU A 110 -3.237 1.102 13.585 1.00 0.00 C ATOM 1675 CG LEU A 110 -2.062 1.788 14.304 1.00 0.00 C ATOM 1676 CD1 LEU A 110 -1.053 2.333 13.303 1.00 0.00 C ATOM 1677 CD2 LEU A 110 -2.555 2.893 15.229 1.00 0.00 C ATOM 0 H LEU A 110 -5.142 3.043 13.556 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.054 2.104 11.687 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.025 0.917 14.315 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -2.900 0.129 13.227 1.00 0.00 H new ATOM 0 HG LEU A 110 -1.562 1.036 14.914 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -0.233 2.813 13.837 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.662 1.515 12.698 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.540 3.062 12.656 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -1.704 3.360 15.724 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.092 3.642 14.647 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -3.222 2.469 15.979 1.00 0.00 H new ATOM 1689 N GLY A 111 -6.009 1.609 11.329 1.00 0.00 N ATOM 1690 CA GLY A 111 -7.090 0.852 10.719 1.00 0.00 C ATOM 1691 C GLY A 111 -6.659 0.126 9.460 1.00 0.00 C ATOM 1692 O GLY A 111 -6.817 -1.090 9.348 1.00 0.00 O ATOM 0 H GLY A 111 -6.193 2.606 11.439 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -7.472 0.128 11.438 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -7.912 1.528 10.481 1.00 0.00 H new ATOM 1696 N ASP A 112 -6.099 0.873 8.521 1.00 0.00 N ATOM 1697 CA ASP A 112 -5.676 0.315 7.240 1.00 0.00 C ATOM 1698 C ASP A 112 -4.453 -0.582 7.408 1.00 0.00 C ATOM 1699 O ASP A 112 -4.344 -1.634 6.775 1.00 0.00 O ATOM 1700 CB ASP A 112 -5.348 1.447 6.261 1.00 0.00 C ATOM 1701 CG ASP A 112 -6.469 2.461 6.148 1.00 0.00 C ATOM 1702 OD1 ASP A 112 -6.506 3.403 6.968 1.00 0.00 O ATOM 1703 OD2 ASP A 112 -7.317 2.322 5.245 1.00 0.00 O ATOM 0 H ASP A 112 -5.925 1.873 8.620 1.00 0.00 H new ATOM 0 HA ASP A 112 -6.495 -0.287 6.847 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.438 1.951 6.586 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.144 1.024 5.277 1.00 0.00 H new ATOM 1708 N ILE A 113 -3.541 -0.162 8.275 1.00 0.00 N ATOM 1709 CA ILE A 113 -2.266 -0.849 8.454 1.00 0.00 C ATOM 1710 C ILE A 113 -2.429 -2.168 9.211 1.00 0.00 C ATOM 1711 O ILE A 113 -1.731 -3.143 8.929 1.00 0.00 O ATOM 1712 CB ILE A 113 -1.263 0.056 9.195 1.00 0.00 C ATOM 1713 CG1 ILE A 113 -1.112 1.379 8.442 1.00 0.00 C ATOM 1714 CG2 ILE A 113 0.087 -0.638 9.340 1.00 0.00 C ATOM 1715 CD1 ILE A 113 -0.244 2.386 9.154 1.00 0.00 C ATOM 0 H ILE A 113 -3.661 0.658 8.870 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.882 -1.077 7.460 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.643 0.259 10.196 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.689 1.180 7.457 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.100 1.812 8.284 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.779 0.019 9.866 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.037 -1.561 9.906 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.485 -0.869 8.352 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.183 3.298 8.561 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.676 2.615 10.128 1.00 0.00 H new ATOM 0 HD13 ILE A 113 0.756 1.974 9.289 1.00 0.00 H new ATOM 1727 N GLU A 114 -3.357 -2.203 10.160 1.00 0.00 N ATOM 1728 CA GLU A 114 -3.608 -3.410 10.945 1.00 0.00 C ATOM 1729 C GLU A 114 -4.090 -4.539 10.038 1.00 0.00 C ATOM 1730 O GLU A 114 -3.810 -5.715 10.279 1.00 0.00 O ATOM 1731 CB GLU A 114 -4.636 -3.123 12.048 1.00 0.00 C ATOM 1732 CG GLU A 114 -4.838 -4.271 13.026 1.00 0.00 C ATOM 1733 CD GLU A 114 -5.744 -3.900 14.185 1.00 0.00 C ATOM 1734 OE1 GLU A 114 -6.954 -3.689 13.963 1.00 0.00 O ATOM 1735 OE2 GLU A 114 -5.256 -3.839 15.335 1.00 0.00 O ATOM 0 H GLU A 114 -3.949 -1.410 10.406 1.00 0.00 H new ATOM 0 HA GLU A 114 -2.677 -3.723 11.417 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -4.320 -2.239 12.603 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -5.593 -2.883 11.584 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -5.263 -5.124 12.496 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -3.870 -4.587 13.414 1.00 0.00 H new ATOM 1742 N ALA A 115 -4.784 -4.168 8.969 1.00 0.00 N ATOM 1743 CA ALA A 115 -5.270 -5.136 7.996 1.00 0.00 C ATOM 1744 C ALA A 115 -4.166 -5.538 7.023 1.00 0.00 C ATOM 1745 O ALA A 115 -4.320 -6.483 6.250 1.00 0.00 O ATOM 1746 CB ALA A 115 -6.464 -4.570 7.242 1.00 0.00 C ATOM 0 H ALA A 115 -5.023 -3.200 8.754 1.00 0.00 H new ATOM 0 HA ALA A 115 -5.585 -6.030 8.534 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -6.818 -5.304 6.518 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.264 -4.341 7.946 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.167 -3.660 6.721 1.00 0.00 H new ATOM 1752 N LEU A 116 -3.048 -4.822 7.074 1.00 0.00 N ATOM 1753 CA LEU A 116 -1.925 -5.091 6.190 1.00 0.00 C ATOM 1754 C LEU A 116 -0.898 -5.952 6.910 1.00 0.00 C ATOM 1755 O LEU A 116 -0.376 -6.927 6.362 1.00 0.00 O ATOM 1756 CB LEU A 116 -1.279 -3.774 5.745 1.00 0.00 C ATOM 1757 CG LEU A 116 -0.070 -3.911 4.816 1.00 0.00 C ATOM 1758 CD1 LEU A 116 -0.492 -4.426 3.450 1.00 0.00 C ATOM 1759 CD2 LEU A 116 0.650 -2.579 4.688 1.00 0.00 C ATOM 0 H LEU A 116 -2.897 -4.048 7.722 1.00 0.00 H new ATOM 0 HA LEU A 116 -2.286 -5.623 5.310 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.035 -3.171 5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.971 -3.223 6.633 1.00 0.00 H new ATOM 0 HG LEU A 116 0.617 -4.637 5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.384 -4.515 2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.963 -5.403 3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.201 -3.730 3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.508 -2.691 4.025 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.032 -1.835 4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.992 -2.254 5.671 1.00 0.00 H new ATOM 1771 N GLN A 117 -0.623 -5.595 8.154 1.00 0.00 N ATOM 1772 CA GLN A 117 0.366 -6.302 8.949 1.00 0.00 C ATOM 1773 C GLN A 117 -0.203 -7.613 9.485 1.00 0.00 C ATOM 1774 O GLN A 117 0.544 -8.509 9.874 1.00 0.00 O ATOM 1775 CB GLN A 117 0.858 -5.407 10.087 1.00 0.00 C ATOM 1776 CG GLN A 117 -0.158 -5.185 11.196 1.00 0.00 C ATOM 1777 CD GLN A 117 -0.025 -3.816 11.833 1.00 0.00 C ATOM 1778 OE1 GLN A 117 -0.973 -3.289 12.400 1.00 0.00 O ATOM 1779 NE2 GLN A 117 1.143 -3.213 11.696 1.00 0.00 N ATOM 0 H GLN A 117 -1.073 -4.817 8.636 1.00 0.00 H new ATOM 0 HA GLN A 117 1.216 -6.549 8.313 1.00 0.00 H new ATOM 0 HB2 GLN A 117 1.757 -5.849 10.517 1.00 0.00 H new ATOM 0 HB3 GLN A 117 1.144 -4.440 9.674 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -1.164 -5.299 10.792 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -0.032 -5.952 11.960 1.00 0.00 H new ATOM 0 HE21 GLN A 117 1.908 -3.687 11.217 1.00 0.00 H new ATOM 0 HE22 GLN A 117 1.279 -2.274 12.070 1.00 0.00 H new ATOM 1788 N GLY A 118 -1.529 -7.713 9.500 1.00 0.00 N ATOM 1789 CA GLY A 118 -2.181 -8.936 9.928 1.00 0.00 C ATOM 1790 C GLY A 118 -1.854 -10.110 9.024 1.00 0.00 C ATOM 1791 O GLY A 118 -1.439 -11.168 9.496 1.00 0.00 O ATOM 0 H GLY A 118 -2.165 -6.965 9.222 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -1.876 -9.170 10.948 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -3.260 -8.783 9.945 1.00 0.00 H new ATOM 1795 N VAL A 119 -2.014 -9.916 7.719 1.00 0.00 N ATOM 1796 CA VAL A 119 -1.758 -10.982 6.752 1.00 0.00 C ATOM 1797 C VAL A 119 -0.261 -11.260 6.618 1.00 0.00 C ATOM 1798 O VAL A 119 0.144 -12.332 6.180 1.00 0.00 O ATOM 1799 CB VAL A 119 -2.363 -10.662 5.368 1.00 0.00 C ATOM 1800 CG1 VAL A 119 -3.881 -10.652 5.443 1.00 0.00 C ATOM 1801 CG2 VAL A 119 -1.850 -9.333 4.842 1.00 0.00 C ATOM 0 H VAL A 119 -2.319 -9.035 7.306 1.00 0.00 H new ATOM 0 HA VAL A 119 -2.247 -11.878 7.135 1.00 0.00 H new ATOM 0 HB VAL A 119 -2.051 -11.443 4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -4.292 -10.425 4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -4.236 -11.630 5.768 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -4.205 -9.894 6.156 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.292 -9.133 3.866 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.124 -8.537 5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -0.765 -9.374 4.747 1.00 0.00 H new ATOM 1811 N SER A 120 0.543 -10.293 7.044 1.00 0.00 N ATOM 1812 CA SER A 120 2.007 -10.378 7.015 1.00 0.00 C ATOM 1813 C SER A 120 2.550 -11.605 7.760 1.00 0.00 C ATOM 1814 O SER A 120 3.735 -11.919 7.660 1.00 0.00 O ATOM 1815 CB SER A 120 2.623 -9.107 7.608 1.00 0.00 C ATOM 1816 OG SER A 120 2.248 -7.952 6.870 1.00 0.00 O ATOM 0 H SER A 120 0.196 -9.413 7.426 1.00 0.00 H new ATOM 0 HA SER A 120 2.291 -10.481 5.968 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.304 -8.997 8.645 1.00 0.00 H new ATOM 0 HB3 SER A 120 3.709 -9.198 7.616 1.00 0.00 H new ATOM 0 HG SER A 120 1.271 -7.908 6.805 1.00 0.00 H new ATOM 1822 N LYS A 121 1.695 -12.276 8.524 1.00 0.00 N ATOM 1823 CA LYS A 121 2.158 -13.224 9.531 1.00 0.00 C ATOM 1824 C LYS A 121 1.543 -14.596 9.320 1.00 0.00 C ATOM 1825 O LYS A 121 1.924 -15.565 9.978 1.00 0.00 O ATOM 1826 CB LYS A 121 1.825 -12.720 10.933 1.00 0.00 C ATOM 1827 CG LYS A 121 2.557 -11.447 11.317 1.00 0.00 C ATOM 1828 CD LYS A 121 2.202 -11.011 12.727 1.00 0.00 C ATOM 1829 CE LYS A 121 2.996 -9.785 13.144 1.00 0.00 C ATOM 1830 NZ LYS A 121 2.666 -9.357 14.527 1.00 0.00 N ATOM 0 H LYS A 121 0.681 -12.182 8.466 1.00 0.00 H new ATOM 0 HA LYS A 121 3.240 -13.312 9.429 1.00 0.00 H new ATOM 0 HB2 LYS A 121 0.751 -12.545 11.000 1.00 0.00 H new ATOM 0 HB3 LYS A 121 2.067 -13.499 11.656 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.633 -11.607 11.243 1.00 0.00 H new ATOM 0 HG3 LYS A 121 2.304 -10.653 10.614 1.00 0.00 H new ATOM 0 HD2 LYS A 121 1.136 -10.793 12.784 1.00 0.00 H new ATOM 0 HD3 LYS A 121 2.398 -11.827 13.422 1.00 0.00 H new ATOM 0 HE2 LYS A 121 4.062 -10.002 13.076 1.00 0.00 H new ATOM 0 HE3 LYS A 121 2.792 -8.968 12.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 3.228 -8.518 14.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 1.654 -9.125 14.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 2.884 -10.128 15.190 1.00 0.00 H new ATOM 1844 N PHE A 122 0.590 -14.679 8.412 1.00 0.00 N ATOM 1845 CA PHE A 122 -0.008 -15.948 8.076 1.00 0.00 C ATOM 1846 C PHE A 122 0.865 -16.624 7.038 1.00 0.00 C ATOM 1847 O PHE A 122 1.238 -15.994 6.052 1.00 0.00 O ATOM 1848 CB PHE A 122 -1.418 -15.755 7.524 1.00 0.00 C ATOM 1849 CG PHE A 122 -2.345 -15.017 8.446 1.00 0.00 C ATOM 1850 CD1 PHE A 122 -2.562 -15.463 9.737 1.00 0.00 C ATOM 1851 CD2 PHE A 122 -3.006 -13.881 8.013 1.00 0.00 C ATOM 1852 CE1 PHE A 122 -3.422 -14.789 10.581 1.00 0.00 C ATOM 1853 CE2 PHE A 122 -3.868 -13.203 8.849 1.00 0.00 C ATOM 1854 CZ PHE A 122 -4.077 -13.657 10.137 1.00 0.00 C ATOM 0 H PHE A 122 0.217 -13.882 7.897 1.00 0.00 H new ATOM 0 HA PHE A 122 -0.082 -16.565 8.972 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -1.355 -15.213 6.580 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -1.846 -16.733 7.303 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -2.053 -16.348 10.089 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -2.845 -13.521 7.008 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -3.582 -15.147 11.587 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -4.379 -12.319 8.498 1.00 0.00 H new ATOM 0 HZ PHE A 122 -4.751 -13.128 10.795 1.00 0.00 H new ATOM 1864 N PRO A 123 1.199 -17.908 7.239 1.00 0.00 N ATOM 1865 CA PRO A 123 2.102 -18.656 6.345 1.00 0.00 C ATOM 1866 C PRO A 123 1.691 -18.570 4.875 1.00 0.00 C ATOM 1867 O PRO A 123 2.495 -18.819 3.973 1.00 0.00 O ATOM 1868 CB PRO A 123 1.981 -20.096 6.848 1.00 0.00 C ATOM 1869 CG PRO A 123 1.586 -19.965 8.279 1.00 0.00 C ATOM 1870 CD PRO A 123 0.728 -18.736 8.362 1.00 0.00 C ATOM 0 HA PRO A 123 3.116 -18.257 6.373 1.00 0.00 H new ATOM 0 HB2 PRO A 123 1.235 -20.652 6.281 1.00 0.00 H new ATOM 0 HB3 PRO A 123 2.925 -20.632 6.745 1.00 0.00 H new ATOM 0 HG2 PRO A 123 1.039 -20.846 8.615 1.00 0.00 H new ATOM 0 HG3 PRO A 123 2.464 -19.872 8.919 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -0.330 -18.979 8.265 1.00 0.00 H new ATOM 0 HD3 PRO A 123 0.852 -18.225 9.317 1.00 0.00 H new ATOM 1878 N ALA A 124 0.440 -18.207 4.639 1.00 0.00 N ATOM 1879 CA ALA A 124 -0.081 -18.126 3.292 1.00 0.00 C ATOM 1880 C ALA A 124 -0.224 -16.685 2.796 1.00 0.00 C ATOM 1881 O ALA A 124 -0.500 -16.477 1.616 1.00 0.00 O ATOM 1882 CB ALA A 124 -1.421 -18.839 3.207 1.00 0.00 C ATOM 0 H ALA A 124 -0.231 -17.964 5.368 1.00 0.00 H new ATOM 0 HA ALA A 124 0.644 -18.617 2.642 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -1.805 -18.772 2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -1.293 -19.887 3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.127 -18.370 3.892 1.00 0.00 H new ATOM 1888 N ARG A 125 -0.041 -15.670 3.655 1.00 0.00 N ATOM 1889 CA ARG A 125 -0.282 -14.313 3.204 1.00 0.00 C ATOM 1890 C ARG A 125 0.965 -13.466 3.412 1.00 0.00 C ATOM 1891 O ARG A 125 0.934 -12.254 3.219 1.00 0.00 O ATOM 1892 CB ARG A 125 -1.476 -13.666 3.929 1.00 0.00 C ATOM 1893 CG ARG A 125 -2.483 -14.634 4.547 1.00 0.00 C ATOM 1894 CD ARG A 125 -3.175 -15.529 3.527 1.00 0.00 C ATOM 1895 NE ARG A 125 -3.891 -14.786 2.492 1.00 0.00 N ATOM 1896 CZ ARG A 125 -5.044 -14.142 2.687 1.00 0.00 C ATOM 1897 NH1 ARG A 125 -5.577 -14.050 3.894 1.00 0.00 N ATOM 1898 NH2 ARG A 125 -5.677 -13.601 1.660 1.00 0.00 N ATOM 0 H ARG A 125 0.261 -15.766 4.625 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.525 -14.361 2.142 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.091 -13.020 4.718 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -2.003 -13.026 3.221 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.971 -15.259 5.278 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.238 -14.063 5.088 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -2.431 -16.171 3.054 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -3.877 -16.183 4.045 1.00 0.00 H new ATOM 0 HE ARG A 125 -3.482 -14.758 1.558 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -5.106 -14.475 4.693 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -6.459 -13.554 4.026 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -5.284 -13.676 0.722 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -6.558 -13.108 1.806 1.00 0.00 H new ATOM 1912 N ILE A 126 2.073 -14.114 3.753 1.00 0.00 N ATOM 1913 CA ILE A 126 3.317 -13.400 4.039 1.00 0.00 C ATOM 1914 C ILE A 126 3.912 -12.911 2.736 1.00 0.00 C ATOM 1915 O ILE A 126 4.580 -11.879 2.670 1.00 0.00 O ATOM 1916 CB ILE A 126 4.358 -14.284 4.774 1.00 0.00 C ATOM 1917 CG1 ILE A 126 4.624 -15.578 3.996 1.00 0.00 C ATOM 1918 CG2 ILE A 126 3.901 -14.598 6.188 1.00 0.00 C ATOM 1919 CD1 ILE A 126 5.671 -16.471 4.628 1.00 0.00 C ATOM 0 H ILE A 126 2.138 -15.128 3.839 1.00 0.00 H new ATOM 0 HA ILE A 126 3.075 -12.567 4.699 1.00 0.00 H new ATOM 0 HB ILE A 126 5.290 -13.723 4.833 1.00 0.00 H new ATOM 0 HG12 ILE A 126 3.691 -16.135 3.907 1.00 0.00 H new ATOM 0 HG13 ILE A 126 4.941 -15.323 2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 126 4.648 -15.219 6.682 1.00 0.00 H new ATOM 0 HG22 ILE A 126 3.775 -13.669 6.744 1.00 0.00 H new ATOM 0 HG23 ILE A 126 2.951 -15.131 6.153 1.00 0.00 H new ATOM 0 HD11 ILE A 126 5.802 -17.365 4.019 1.00 0.00 H new ATOM 0 HD12 ILE A 126 6.617 -15.934 4.692 1.00 0.00 H new ATOM 0 HD13 ILE A 126 5.348 -16.758 5.629 1.00 0.00 H new ATOM 1931 N LYS A 127 3.614 -13.655 1.691 1.00 0.00 N ATOM 1932 CA LYS A 127 4.090 -13.341 0.356 1.00 0.00 C ATOM 1933 C LYS A 127 3.134 -12.342 -0.284 1.00 0.00 C ATOM 1934 O LYS A 127 3.499 -11.571 -1.168 1.00 0.00 O ATOM 1935 CB LYS A 127 4.151 -14.624 -0.475 1.00 0.00 C ATOM 1936 CG LYS A 127 5.011 -14.528 -1.726 1.00 0.00 C ATOM 1937 CD LYS A 127 6.491 -14.581 -1.391 1.00 0.00 C ATOM 1938 CE LYS A 127 7.331 -14.815 -2.637 1.00 0.00 C ATOM 1939 NZ LYS A 127 8.760 -15.051 -2.307 1.00 0.00 N ATOM 0 H LYS A 127 3.036 -14.494 1.741 1.00 0.00 H new ATOM 0 HA LYS A 127 5.088 -12.906 0.404 1.00 0.00 H new ATOM 0 HB2 LYS A 127 4.533 -15.429 0.152 1.00 0.00 H new ATOM 0 HB3 LYS A 127 3.138 -14.901 -0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 127 4.761 -15.344 -2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 127 4.789 -13.599 -2.251 1.00 0.00 H new ATOM 0 HD2 LYS A 127 6.792 -13.647 -0.917 1.00 0.00 H new ATOM 0 HD3 LYS A 127 6.675 -15.378 -0.671 1.00 0.00 H new ATOM 0 HE2 LYS A 127 6.938 -15.673 -3.183 1.00 0.00 H new ATOM 0 HE3 LYS A 127 7.249 -13.952 -3.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 9.298 -15.206 -3.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 9.142 -14.222 -1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 8.842 -15.890 -1.698 1.00 0.00 H new ATOM 1953 N CYS A 128 1.901 -12.366 0.193 1.00 0.00 N ATOM 1954 CA CYS A 128 0.849 -11.522 -0.341 1.00 0.00 C ATOM 1955 C CYS A 128 0.866 -10.156 0.341 1.00 0.00 C ATOM 1956 O CYS A 128 0.476 -9.144 -0.247 1.00 0.00 O ATOM 1957 CB CYS A 128 -0.505 -12.213 -0.149 1.00 0.00 C ATOM 1958 SG CYS A 128 -1.877 -11.426 -1.022 1.00 0.00 S ATOM 0 H CYS A 128 1.603 -12.970 0.959 1.00 0.00 H new ATOM 0 HA CYS A 128 1.016 -11.365 -1.407 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -0.422 -13.247 -0.485 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -0.737 -12.241 0.916 1.00 0.00 H new ATOM 1964 N ALA A 129 1.324 -10.137 1.586 1.00 0.00 N ATOM 1965 CA ALA A 129 1.420 -8.897 2.347 1.00 0.00 C ATOM 1966 C ALA A 129 2.607 -8.077 1.878 1.00 0.00 C ATOM 1967 O ALA A 129 2.492 -6.873 1.646 1.00 0.00 O ATOM 1968 CB ALA A 129 1.536 -9.187 3.832 1.00 0.00 C ATOM 0 H ALA A 129 1.635 -10.967 2.091 1.00 0.00 H new ATOM 0 HA ALA A 129 0.510 -8.322 2.178 1.00 0.00 H new ATOM 0 HB1 ALA A 129 1.606 -8.248 4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 129 0.656 -9.737 4.165 1.00 0.00 H new ATOM 0 HB3 ALA A 129 2.429 -9.784 4.017 1.00 0.00 H new ATOM 1974 N THR A 130 3.747 -8.741 1.725 1.00 0.00 N ATOM 1975 CA THR A 130 4.941 -8.088 1.220 1.00 0.00 C ATOM 1976 C THR A 130 4.699 -7.565 -0.187 1.00 0.00 C ATOM 1977 O THR A 130 5.279 -6.564 -0.594 1.00 0.00 O ATOM 1978 CB THR A 130 6.148 -9.043 1.228 1.00 0.00 C ATOM 1979 OG1 THR A 130 5.761 -10.335 0.737 1.00 0.00 O ATOM 1980 CG2 THR A 130 6.719 -9.173 2.630 1.00 0.00 C ATOM 0 H THR A 130 3.866 -9.730 1.944 1.00 0.00 H new ATOM 0 HA THR A 130 5.169 -7.251 1.880 1.00 0.00 H new ATOM 0 HB THR A 130 6.917 -8.629 0.576 1.00 0.00 H new ATOM 0 HG1 THR A 130 5.405 -10.872 1.475 1.00 0.00 H new ATOM 0 HG21 THR A 130 7.571 -9.852 2.614 1.00 0.00 H new ATOM 0 HG22 THR A 130 7.042 -8.194 2.984 1.00 0.00 H new ATOM 0 HG23 THR A 130 5.954 -9.566 3.299 1.00 0.00 H new ATOM 1988 N LEU A 131 3.829 -8.257 -0.914 1.00 0.00 N ATOM 1989 CA LEU A 131 3.361 -7.805 -2.219 1.00 0.00 C ATOM 1990 C LEU A 131 2.882 -6.356 -2.141 1.00 0.00 C ATOM 1991 O LEU A 131 3.457 -5.471 -2.771 1.00 0.00 O ATOM 1992 CB LEU A 131 2.226 -8.729 -2.693 1.00 0.00 C ATOM 1993 CG LEU A 131 1.608 -8.441 -4.071 1.00 0.00 C ATOM 1994 CD1 LEU A 131 0.846 -9.655 -4.547 1.00 0.00 C ATOM 1995 CD2 LEU A 131 0.652 -7.259 -4.024 1.00 0.00 C ATOM 0 H LEU A 131 3.429 -9.146 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 131 4.181 -7.847 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 131 2.605 -9.751 -2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 131 1.428 -8.690 -1.951 1.00 0.00 H new ATOM 0 HG LEU A 131 2.424 -8.202 -4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.408 -9.450 -5.524 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.526 -10.504 -4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.053 -9.889 -3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.236 -7.088 -5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.156 -7.472 -3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 131 1.190 -6.369 -3.697 1.00 0.00 H new ATOM 2007 N SER A 132 1.838 -6.121 -1.356 1.00 0.00 N ATOM 2008 CA SER A 132 1.223 -4.799 -1.279 1.00 0.00 C ATOM 2009 C SER A 132 2.158 -3.783 -0.621 1.00 0.00 C ATOM 2010 O SER A 132 2.343 -2.667 -1.122 1.00 0.00 O ATOM 2011 CB SER A 132 -0.093 -4.893 -0.505 1.00 0.00 C ATOM 2012 OG SER A 132 -0.959 -5.848 -1.101 1.00 0.00 O ATOM 0 H SER A 132 1.399 -6.826 -0.764 1.00 0.00 H new ATOM 0 HA SER A 132 1.025 -4.452 -2.293 1.00 0.00 H new ATOM 0 HB2 SER A 132 0.107 -5.172 0.530 1.00 0.00 H new ATOM 0 HB3 SER A 132 -0.579 -3.917 -0.484 1.00 0.00 H new ATOM 0 HG SER A 132 -1.722 -6.013 -0.508 1.00 0.00 H new ATOM 2018 N TRP A 133 2.770 -4.192 0.479 1.00 0.00 N ATOM 2019 CA TRP A 133 3.621 -3.310 1.261 1.00 0.00 C ATOM 2020 C TRP A 133 4.820 -2.849 0.443 1.00 0.00 C ATOM 2021 O TRP A 133 5.074 -1.652 0.312 1.00 0.00 O ATOM 2022 CB TRP A 133 4.087 -4.022 2.536 1.00 0.00 C ATOM 2023 CG TRP A 133 5.087 -3.241 3.332 1.00 0.00 C ATOM 2024 CD1 TRP A 133 4.874 -2.068 3.996 1.00 0.00 C ATOM 2025 CD2 TRP A 133 6.462 -3.581 3.548 1.00 0.00 C ATOM 2026 NE1 TRP A 133 6.034 -1.655 4.604 1.00 0.00 N ATOM 2027 CE2 TRP A 133 7.020 -2.567 4.345 1.00 0.00 C ATOM 2028 CE3 TRP A 133 7.274 -4.643 3.139 1.00 0.00 C ATOM 2029 CZ2 TRP A 133 8.353 -2.584 4.748 1.00 0.00 C ATOM 2030 CZ3 TRP A 133 8.597 -4.660 3.542 1.00 0.00 C ATOM 2031 CH2 TRP A 133 9.125 -3.635 4.336 1.00 0.00 C ATOM 0 H TRP A 133 2.692 -5.138 0.853 1.00 0.00 H new ATOM 0 HA TRP A 133 3.041 -2.430 1.540 1.00 0.00 H new ATOM 0 HB2 TRP A 133 3.220 -4.230 3.163 1.00 0.00 H new ATOM 0 HB3 TRP A 133 4.523 -4.984 2.266 1.00 0.00 H new ATOM 0 HD1 TRP A 133 3.932 -1.542 4.037 1.00 0.00 H new ATOM 0 HE1 TRP A 133 6.143 -0.806 5.159 1.00 0.00 H new ATOM 0 HE3 TRP A 133 6.876 -5.434 2.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 8.762 -1.796 5.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 9.234 -5.478 3.239 1.00 0.00 H new ATOM 0 HH2 TRP A 133 10.164 -3.675 4.629 1.00 0.00 H new ATOM 2042 N LYS A 134 5.534 -3.800 -0.138 1.00 0.00 N ATOM 2043 CA LYS A 134 6.754 -3.483 -0.861 1.00 0.00 C ATOM 2044 C LYS A 134 6.429 -2.828 -2.199 1.00 0.00 C ATOM 2045 O LYS A 134 7.274 -2.168 -2.787 1.00 0.00 O ATOM 2046 CB LYS A 134 7.618 -4.733 -1.053 1.00 0.00 C ATOM 2047 CG LYS A 134 8.974 -4.450 -1.685 1.00 0.00 C ATOM 2048 CD LYS A 134 9.895 -5.656 -1.604 1.00 0.00 C ATOM 2049 CE LYS A 134 10.268 -5.973 -0.165 1.00 0.00 C ATOM 2050 NZ LYS A 134 11.156 -7.157 -0.069 1.00 0.00 N ATOM 0 H LYS A 134 5.292 -4.791 -0.123 1.00 0.00 H new ATOM 0 HA LYS A 134 7.328 -2.772 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 134 7.771 -5.210 -0.085 1.00 0.00 H new ATOM 0 HB3 LYS A 134 7.078 -5.445 -1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 134 8.837 -4.166 -2.728 1.00 0.00 H new ATOM 0 HG3 LYS A 134 9.440 -3.602 -1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 134 9.406 -6.520 -2.054 1.00 0.00 H new ATOM 0 HD3 LYS A 134 10.799 -5.465 -2.182 1.00 0.00 H new ATOM 0 HE2 LYS A 134 10.765 -5.110 0.279 1.00 0.00 H new ATOM 0 HE3 LYS A 134 9.362 -6.152 0.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 11.386 -7.338 0.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 10.673 -7.987 -0.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 12.032 -6.977 -0.599 1.00 0.00 H new ATOM 2064 N ALA A 135 5.201 -3.002 -2.676 1.00 0.00 N ATOM 2065 CA ALA A 135 4.762 -2.327 -3.893 1.00 0.00 C ATOM 2066 C ALA A 135 4.846 -0.813 -3.718 1.00 0.00 C ATOM 2067 O ALA A 135 5.300 -0.097 -4.611 1.00 0.00 O ATOM 2068 CB ALA A 135 3.345 -2.741 -4.260 1.00 0.00 C ATOM 0 H ALA A 135 4.497 -3.599 -2.243 1.00 0.00 H new ATOM 0 HA ALA A 135 5.424 -2.623 -4.707 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.039 -2.225 -5.170 1.00 0.00 H new ATOM 0 HB2 ALA A 135 3.312 -3.818 -4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 135 2.667 -2.477 -3.448 1.00 0.00 H new ATOM 2074 N LEU A 136 4.446 -0.334 -2.545 1.00 0.00 N ATOM 2075 CA LEU A 136 4.502 1.096 -2.259 1.00 0.00 C ATOM 2076 C LEU A 136 5.911 1.492 -1.829 1.00 0.00 C ATOM 2077 O LEU A 136 6.426 2.532 -2.246 1.00 0.00 O ATOM 2078 CB LEU A 136 3.478 1.497 -1.186 1.00 0.00 C ATOM 2079 CG LEU A 136 2.197 2.162 -1.718 1.00 0.00 C ATOM 2080 CD1 LEU A 136 1.346 1.179 -2.507 1.00 0.00 C ATOM 2081 CD2 LEU A 136 1.386 2.763 -0.579 1.00 0.00 C ATOM 0 H LEU A 136 4.083 -0.908 -1.784 1.00 0.00 H new ATOM 0 HA LEU A 136 4.247 1.632 -3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 136 3.199 0.607 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 136 3.959 2.180 -0.485 1.00 0.00 H new ATOM 0 HG LEU A 136 2.501 2.963 -2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.449 1.682 -2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.917 0.803 -3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.061 0.347 -1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 136 0.485 3.228 -0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 136 1.108 1.977 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 136 1.984 3.515 -0.064 1.00 0.00 H new ATOM 2093 N GLU A 137 6.544 0.630 -1.033 1.00 0.00 N ATOM 2094 CA GLU A 137 7.912 0.858 -0.564 1.00 0.00 C ATOM 2095 C GLU A 137 8.894 0.862 -1.733 1.00 0.00 C ATOM 2096 O GLU A 137 10.010 1.371 -1.627 1.00 0.00 O ATOM 2097 CB GLU A 137 8.322 -0.229 0.439 1.00 0.00 C ATOM 2098 CG GLU A 137 7.556 -0.190 1.755 1.00 0.00 C ATOM 2099 CD GLU A 137 8.002 0.935 2.669 1.00 0.00 C ATOM 2100 OE1 GLU A 137 7.549 2.077 2.472 1.00 0.00 O ATOM 2101 OE2 GLU A 137 8.809 0.671 3.594 1.00 0.00 O ATOM 0 H GLU A 137 6.128 -0.239 -0.697 1.00 0.00 H new ATOM 0 HA GLU A 137 7.939 1.832 -0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 137 8.178 -1.206 -0.023 1.00 0.00 H new ATOM 0 HB3 GLU A 137 9.387 -0.130 0.649 1.00 0.00 H new ATOM 0 HG2 GLU A 137 6.492 -0.080 1.546 1.00 0.00 H new ATOM 0 HG3 GLU A 137 7.683 -1.142 2.271 1.00 0.00 H new ATOM 2108 N LYS A 138 8.485 0.271 -2.849 1.00 0.00 N ATOM 2109 CA LYS A 138 9.340 0.211 -4.031 1.00 0.00 C ATOM 2110 C LYS A 138 8.965 1.292 -5.038 1.00 0.00 C ATOM 2111 O LYS A 138 9.834 1.848 -5.713 1.00 0.00 O ATOM 2112 CB LYS A 138 9.252 -1.170 -4.688 1.00 0.00 C ATOM 2113 CG LYS A 138 10.071 -1.310 -5.959 1.00 0.00 C ATOM 2114 CD LYS A 138 9.990 -2.720 -6.518 1.00 0.00 C ATOM 2115 CE LYS A 138 10.701 -2.822 -7.856 1.00 0.00 C ATOM 2116 NZ LYS A 138 10.732 -4.216 -8.366 1.00 0.00 N ATOM 0 H LYS A 138 7.573 -0.171 -2.962 1.00 0.00 H new ATOM 0 HA LYS A 138 10.366 0.386 -3.708 1.00 0.00 H new ATOM 0 HB2 LYS A 138 9.583 -1.922 -3.972 1.00 0.00 H new ATOM 0 HB3 LYS A 138 8.208 -1.385 -4.917 1.00 0.00 H new ATOM 0 HG2 LYS A 138 9.713 -0.600 -6.705 1.00 0.00 H new ATOM 0 HG3 LYS A 138 11.111 -1.058 -5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 138 10.436 -3.420 -5.812 1.00 0.00 H new ATOM 0 HD3 LYS A 138 8.945 -3.008 -6.635 1.00 0.00 H new ATOM 0 HE2 LYS A 138 10.200 -2.182 -8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 138 11.721 -2.451 -7.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 11.226 -4.240 -9.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 11.232 -4.823 -7.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 9.759 -4.562 -8.489 1.00 0.00 H new ATOM 2130 N GLY A 139 7.675 1.590 -5.125 1.00 0.00 N ATOM 2131 CA GLY A 139 7.199 2.560 -6.093 1.00 0.00 C ATOM 2132 C GLY A 139 7.711 3.962 -5.824 1.00 0.00 C ATOM 2133 O GLY A 139 8.338 4.580 -6.686 1.00 0.00 O ATOM 0 H GLY A 139 6.948 1.176 -4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 139 7.508 2.251 -7.092 1.00 0.00 H new ATOM 0 HA3 GLY A 139 6.109 2.569 -6.085 1.00 0.00 H new ATOM 2137 N VAL A 140 7.461 4.463 -4.624 1.00 0.00 N ATOM 2138 CA VAL A 140 7.857 5.821 -4.276 1.00 0.00 C ATOM 2139 C VAL A 140 9.126 5.829 -3.433 1.00 0.00 C ATOM 2140 O VAL A 140 9.557 6.886 -2.970 1.00 0.00 O ATOM 2141 CB VAL A 140 6.735 6.558 -3.514 1.00 0.00 C ATOM 2142 CG1 VAL A 140 5.492 6.675 -4.381 1.00 0.00 C ATOM 2143 CG2 VAL A 140 6.407 5.850 -2.209 1.00 0.00 C ATOM 0 H VAL A 140 6.988 3.954 -3.877 1.00 0.00 H new ATOM 0 HA VAL A 140 8.049 6.343 -5.214 1.00 0.00 H new ATOM 0 HB VAL A 140 7.090 7.561 -3.276 1.00 0.00 H new ATOM 0 HG11 VAL A 140 4.711 7.197 -3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 140 5.731 7.233 -5.286 1.00 0.00 H new ATOM 0 HG13 VAL A 140 5.142 5.679 -4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 140 5.614 6.390 -1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 140 6.076 4.833 -2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 140 7.296 5.819 -1.578 1.00 0.00 H new ATOM 2153 N ALA A 141 9.723 4.643 -3.281 1.00 0.00 N ATOM 2154 CA ALA A 141 10.893 4.431 -2.423 1.00 0.00 C ATOM 2155 C ALA A 141 10.490 4.443 -0.951 1.00 0.00 C ATOM 2156 O ALA A 141 9.320 4.642 -0.625 1.00 0.00 O ATOM 2157 CB ALA A 141 12.002 5.445 -2.702 1.00 0.00 C ATOM 0 H ALA A 141 9.406 3.797 -3.753 1.00 0.00 H new ATOM 0 HA ALA A 141 11.298 3.447 -2.660 1.00 0.00 H new ATOM 0 HB1 ALA A 141 12.848 5.249 -2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 141 12.322 5.357 -3.740 1.00 0.00 H new ATOM 0 HB3 ALA A 141 11.627 6.453 -2.522 1.00 0.00 H new ATOM 2163 N LYS A 142 11.452 4.225 -0.064 1.00 0.00 N ATOM 2164 CA LYS A 142 11.150 4.072 1.353 1.00 0.00 C ATOM 2165 C LYS A 142 12.229 4.690 2.231 1.00 0.00 C ATOM 2166 O LYS A 142 13.421 4.591 1.924 1.00 0.00 O ATOM 2167 CB LYS A 142 10.976 2.593 1.697 1.00 0.00 C ATOM 2168 CG LYS A 142 12.089 1.704 1.165 1.00 0.00 C ATOM 2169 CD LYS A 142 11.861 0.250 1.539 1.00 0.00 C ATOM 2170 CE LYS A 142 12.844 -0.673 0.840 1.00 0.00 C ATOM 2171 NZ LYS A 142 12.692 -0.627 -0.638 1.00 0.00 N ATOM 0 H LYS A 142 12.442 4.150 -0.298 1.00 0.00 H new ATOM 0 HA LYS A 142 10.219 4.602 1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 142 10.924 2.485 2.780 1.00 0.00 H new ATOM 0 HB3 LYS A 142 10.024 2.246 1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 142 12.145 1.798 0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 142 13.047 2.038 1.564 1.00 0.00 H new ATOM 0 HD2 LYS A 142 11.957 0.133 2.618 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.843 -0.037 1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 142 13.862 -0.391 1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 142 12.694 -1.695 1.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 12.486 -1.582 -0.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.910 0.012 -0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 13.573 -0.279 -1.067 1.00 0.00 H new ATOM 2185 N GLU A 143 11.784 5.319 3.322 1.00 0.00 N ATOM 2186 CA GLU A 143 12.652 5.983 4.300 1.00 0.00 C ATOM 2187 C GLU A 143 13.364 7.192 3.690 1.00 0.00 C ATOM 2188 O GLU A 143 13.089 8.335 4.058 1.00 0.00 O ATOM 2189 CB GLU A 143 13.677 5.010 4.897 1.00 0.00 C ATOM 2190 CG GLU A 143 14.481 5.619 6.035 1.00 0.00 C ATOM 2191 CD GLU A 143 15.592 4.718 6.522 1.00 0.00 C ATOM 2192 OE1 GLU A 143 15.347 3.886 7.422 1.00 0.00 O ATOM 2193 OE2 GLU A 143 16.727 4.848 6.021 1.00 0.00 O ATOM 0 H GLU A 143 10.793 5.383 3.555 1.00 0.00 H new ATOM 0 HA GLU A 143 12.007 6.336 5.105 1.00 0.00 H new ATOM 0 HB2 GLU A 143 13.159 4.122 5.260 1.00 0.00 H new ATOM 0 HB3 GLU A 143 14.359 4.682 4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 143 14.907 6.566 5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 143 13.812 5.843 6.866 1.00 0.00 H new ATOM 2200 N GLU A 144 14.268 6.935 2.758 1.00 0.00 N ATOM 2201 CA GLU A 144 15.039 7.988 2.114 1.00 0.00 C ATOM 2202 C GLU A 144 15.703 7.456 0.849 1.00 0.00 C ATOM 2203 O GLU A 144 15.696 8.114 -0.191 1.00 0.00 O ATOM 2204 CB GLU A 144 16.090 8.537 3.082 1.00 0.00 C ATOM 2205 CG GLU A 144 16.899 9.696 2.525 1.00 0.00 C ATOM 2206 CD GLU A 144 17.831 10.286 3.558 1.00 0.00 C ATOM 2207 OE1 GLU A 144 18.933 9.732 3.753 1.00 0.00 O ATOM 2208 OE2 GLU A 144 17.456 11.291 4.194 1.00 0.00 O ATOM 0 H GLU A 144 14.488 5.995 2.427 1.00 0.00 H new ATOM 0 HA GLU A 144 14.366 8.799 1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 144 15.593 8.861 3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 144 16.771 7.732 3.358 1.00 0.00 H new ATOM 0 HG2 GLU A 144 17.479 9.354 1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 144 16.222 10.470 2.164 1.00 0.00 H new ATOM 2215 N GLY A 145 16.279 6.268 0.943 1.00 0.00 N ATOM 2216 CA GLY A 145 16.902 5.654 -0.209 1.00 0.00 C ATOM 2217 C GLY A 145 16.059 4.538 -0.793 1.00 0.00 C ATOM 2218 O GLY A 145 14.840 4.675 -0.935 1.00 0.00 O ATOM 0 H GLY A 145 16.326 5.717 1.800 1.00 0.00 H new ATOM 0 HA2 GLY A 145 17.076 6.412 -0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 145 17.877 5.259 0.076 1.00 0.00 H new ATOM 2222 N GLY A 146 16.707 3.436 -1.136 1.00 0.00 N ATOM 2223 CA GLY A 146 15.993 2.299 -1.682 1.00 0.00 C ATOM 2224 C GLY A 146 16.134 1.070 -0.810 1.00 0.00 C ATOM 2225 O GLY A 146 15.515 0.037 -1.069 1.00 0.00 O ATOM 0 H GLY A 146 17.715 3.307 -1.046 1.00 0.00 H new ATOM 0 HA2 GLY A 146 14.938 2.550 -1.787 1.00 0.00 H new ATOM 0 HA3 GLY A 146 16.370 2.080 -2.681 1.00 0.00 H new ATOM 2229 N ASN A 147 16.955 1.184 0.225 1.00 0.00 N ATOM 2230 CA ASN A 147 17.180 0.083 1.159 1.00 0.00 C ATOM 2231 C ASN A 147 16.311 0.246 2.397 1.00 0.00 C ATOM 2232 O ASN A 147 15.354 1.023 2.393 1.00 0.00 O ATOM 2233 CB ASN A 147 18.657 0.009 1.561 1.00 0.00 C ATOM 2234 CG ASN A 147 19.559 -0.372 0.400 1.00 0.00 C ATOM 2235 OD1 ASN A 147 19.159 -1.121 -0.492 1.00 0.00 O ATOM 2236 ND2 ASN A 147 20.776 0.150 0.392 1.00 0.00 N ATOM 0 H ASN A 147 17.480 2.031 0.442 1.00 0.00 H new ATOM 0 HA ASN A 147 16.907 -0.846 0.659 1.00 0.00 H new ATOM 0 HB2 ASN A 147 18.971 0.974 1.958 1.00 0.00 H new ATOM 0 HB3 ASN A 147 18.776 -0.720 2.363 1.00 0.00 H new ATOM 0 HD21 ASN A 147 21.418 -0.064 -0.371 1.00 0.00 H new ATOM 0 HD22 ASN A 147 21.071 0.767 1.149 1.00 0.00 H new TER 2243 ASN A 147 HETATM 2244 ZN ZN A 150 -3.241 -12.009 -2.917 1.00 0.00 ZN