USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1045 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 87 THR OG1 : rot -70:sc= -0.988! USER MOD Set 1.2: A 109 LYS NZ :NH3+ 160:sc= -2.22! (180deg=-2.41!) USER MOD Set 2.1: A 108 LYS NZ :NH3+ 136:sc= -0.788 (180deg=-0.446) USER MOD Set 2.2: A 112 ASN : amide:sc= -0.467 X(o=-1.3,f=-0.86!) USER MOD Set 3.1: A 94 ASN : amide:sc= -0.322 K(o=-0.61,f=-2.7) USER MOD Set 3.2: A 102 CYS SG : rot -101:sc= -0.283 USER MOD Set 4.1: A 99 THR OG1 : rot 128:sc= 0.479 USER MOD Set 4.2: A 101 THR OG1 : rot 180:sc= 0.434 USER MOD Set 5.1: A 48 SER OG : rot -51:sc= 1.04 USER MOD Set 5.2: A 49 CYS SG : rot 130:sc= -2.49! USER MOD Set 6.1: A 42 ASN : amide:sc= -1.59 K(o=-7.3,f=-6.4!) USER MOD Set 6.2: A 82 ASN : amide:sc= -5.75 K(o=-7.3,f=-6.2!) USER MOD Set 7.1: A 16 SER OG : rot 180:sc= -0.878 USER MOD Set 7.2: A 19 ASN : amide:sc= -0.874 X(o=-1.8,f=-1.8!) USER MOD Single : A 6 SER OG : rot -38:sc=-0.00309 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 11 LYS NZ :NH3+ -166:sc= -0.018 (180deg=-0.299) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.14 K(o=-2.1,f=-3.1!) USER MOD Single : A 23 HIS : no HD1:sc= -4.35! C(o=-4.3!,f=-20!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 148:sc= -0.632 (180deg=-2.22!) USER MOD Single : A 35 LYS NZ :NH3+ -118:sc= -1.2 (180deg=-3.21!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 2:sc= 0.777 USER MOD Single : A 53 LYS NZ :NH3+ 164:sc= -1.07 (180deg=-2.41!) USER MOD Single : A 54 LYS NZ :NH3+ 151:sc= -0.913 (180deg=-1.56) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -1.84 USER MOD Single : A 64 LYS NZ :NH3+ 169:sc= -3.11! (180deg=-3.87!) USER MOD Single : A 66 LYS NZ :NH3+ -139:sc= -0.049 (180deg=-0.68) USER MOD Single : A 67 LYS NZ :NH3+ -129:sc= -0.0399 (180deg=-0.472) USER MOD Single : A 69 TYR OH : rot 150:sc= -0.0415 USER MOD Single : A 70 ASN : amide:sc= -0.646 K(o=-0.65,f=-1.7!) USER MOD Single : A 74 SER OG : rot 39:sc= -2.45! USER MOD Single : A 76 GLN : amide:sc= -0.0139 K(o=-0.014,f=-1.5!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -127:sc= -0.049 (180deg=-0.517) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0034 USER MOD Single : A 92 SER OG : rot -47:sc= 0.714 USER MOD Single : A 95 MET CE :methyl 170:sc= -0.983 (180deg=-1.53) USER MOD Single : A 107 GLN : amide:sc= -3.9! K(o=-3.9!,f=-1.1) USER MOD Single : A 114 MET CE :methyl -168:sc= -1.95 (180deg=-2.76) USER MOD Single : A 116 LYS NZ :NH3+ -150:sc= -0.247 (180deg=-0.982) USER MOD Single : A 118 SER OG : rot -50:sc= -0.544 USER MOD Single : A 119 TYR OH : rot -129:sc= -3.34! USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot -46:sc= 0.851 USER MOD Single : A 128 TYR OH : rot 150:sc= -1.1 USER MOD Single : A 132 THR OG1 : rot -123:sc= -3.2! USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 6 -10.753 1.840 -12.366 1.00 15.43 N ATOM 18 CA SER A 6 -12.237 1.956 -12.305 1.00 14.66 C ATOM 19 C SER A 6 -12.648 2.592 -10.976 1.00 13.40 C ATOM 20 O SER A 6 -11.891 2.618 -10.027 1.00 12.58 O ATOM 21 CB SER A 6 -12.865 0.569 -12.411 1.00 15.49 C ATOM 22 OG SER A 6 -12.476 -0.203 -11.282 1.00 15.97 O ATOM 0 HA SER A 6 -12.581 2.578 -13.131 1.00 14.66 H new ATOM 0 HB2 SER A 6 -13.951 0.650 -12.456 1.00 15.49 H new ATOM 0 HB3 SER A 6 -12.544 0.080 -13.330 1.00 15.49 H new ATOM 0 HG SER A 6 -11.545 -0.000 -11.052 1.00 15.97 H new ATOM 28 N GLN A 7 -13.842 3.110 -10.907 1.00 13.37 N ATOM 29 CA GLN A 7 -14.314 3.750 -9.652 1.00 12.23 C ATOM 30 C GLN A 7 -14.510 2.677 -8.570 1.00 11.36 C ATOM 31 O GLN A 7 -14.381 2.936 -7.391 1.00 10.97 O ATOM 32 CB GLN A 7 -15.634 4.472 -9.934 1.00 13.19 C ATOM 33 CG GLN A 7 -15.346 5.687 -10.819 1.00 13.36 C ATOM 34 CD GLN A 7 -16.652 6.396 -11.181 1.00 13.61 C ATOM 35 OE1 GLN A 7 -17.690 5.773 -11.290 1.00 13.82 O ATOM 36 NE2 GLN A 7 -16.641 7.687 -11.375 1.00 13.77 N ATOM 0 H GLN A 7 -14.515 3.117 -11.673 1.00 13.37 H new ATOM 0 HA GLN A 7 -13.577 4.470 -9.296 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -16.334 3.800 -10.430 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -16.101 4.786 -9.000 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -14.681 6.376 -10.298 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -14.831 5.372 -11.726 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -15.770 8.209 -11.283 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -17.504 8.174 -11.618 1.00 13.77 H new ATOM 45 N GLU A 8 -14.828 1.476 -8.966 1.00 13.01 N ATOM 46 CA GLU A 8 -15.040 0.382 -7.973 1.00 12.24 C ATOM 47 C GLU A 8 -13.742 0.067 -7.219 1.00 11.73 C ATOM 48 O GLU A 8 -13.760 -0.224 -6.043 1.00 11.71 O ATOM 49 CB GLU A 8 -15.516 -0.875 -8.702 1.00 13.27 C ATOM 50 CG GLU A 8 -16.939 -0.660 -9.218 1.00 13.55 C ATOM 51 CD GLU A 8 -17.328 -1.824 -10.130 1.00 14.55 C ATOM 52 OE1 GLU A 8 -16.529 -2.734 -10.269 1.00 14.92 O ATOM 53 OE2 GLU A 8 -18.418 -1.780 -10.679 1.00 15.06 O ATOM 0 H GLU A 8 -14.951 1.202 -9.941 1.00 13.01 H new ATOM 0 HA GLU A 8 -15.790 0.708 -7.252 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -14.847 -1.101 -9.533 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -15.488 -1.731 -8.028 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -17.635 -0.590 -8.382 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -17.002 0.281 -9.764 1.00 13.55 H new ATOM 60 N GLU A 9 -12.623 0.083 -7.887 1.00 11.46 N ATOM 61 CA GLU A 9 -11.342 -0.264 -7.198 1.00 11.12 C ATOM 62 C GLU A 9 -10.943 0.828 -6.199 1.00 10.28 C ATOM 63 O GLU A 9 -10.591 0.542 -5.073 1.00 10.32 O ATOM 64 CB GLU A 9 -10.246 -0.412 -8.252 1.00 12.40 C ATOM 65 CG GLU A 9 -10.506 -1.676 -9.072 1.00 13.24 C ATOM 66 CD GLU A 9 -9.455 -1.791 -10.176 1.00 14.08 C ATOM 67 OE1 GLU A 9 -8.734 -0.829 -10.385 1.00 14.68 O ATOM 68 OE2 GLU A 9 -9.383 -2.843 -10.790 1.00 14.26 O ATOM 0 H GLU A 9 -12.536 0.320 -8.875 1.00 11.46 H new ATOM 0 HA GLU A 9 -11.475 -1.196 -6.649 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -10.231 0.462 -8.903 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -9.269 -0.470 -7.773 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -10.470 -2.554 -8.428 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -11.505 -1.641 -9.508 1.00 13.24 H new ATOM 75 N VAL A 10 -10.999 2.070 -6.583 1.00 9.75 N ATOM 76 CA VAL A 10 -10.625 3.149 -5.624 1.00 9.10 C ATOM 77 C VAL A 10 -11.548 3.087 -4.406 1.00 7.91 C ATOM 78 O VAL A 10 -11.126 3.288 -3.287 1.00 7.70 O ATOM 79 CB VAL A 10 -10.736 4.529 -6.287 1.00 10.81 C ATOM 80 CG1 VAL A 10 -9.575 4.740 -7.260 1.00 11.69 C ATOM 81 CG2 VAL A 10 -12.058 4.644 -7.049 1.00 11.17 C ATOM 0 H VAL A 10 -11.284 2.386 -7.510 1.00 9.75 H new ATOM 0 HA VAL A 10 -9.591 2.998 -5.313 1.00 9.10 H new ATOM 0 HB VAL A 10 -10.700 5.290 -5.508 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -9.664 5.722 -7.725 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -8.631 4.679 -6.719 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -9.602 3.970 -8.031 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -12.125 5.627 -7.515 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -12.102 3.874 -7.819 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -12.890 4.513 -6.357 1.00 11.17 H new ATOM 91 N LYS A 11 -12.807 2.817 -4.610 1.00 7.38 N ATOM 92 CA LYS A 11 -13.742 2.749 -3.451 1.00 6.32 C ATOM 93 C LYS A 11 -13.262 1.664 -2.493 1.00 5.68 C ATOM 94 O LYS A 11 -13.278 1.831 -1.291 1.00 5.93 O ATOM 95 CB LYS A 11 -15.148 2.401 -3.945 1.00 8.26 C ATOM 96 CG LYS A 11 -15.732 3.567 -4.758 1.00 8.64 C ATOM 97 CD LYS A 11 -16.281 4.656 -3.830 1.00 9.23 C ATOM 98 CE LYS A 11 -17.054 5.681 -4.661 1.00 9.91 C ATOM 99 NZ LYS A 11 -16.117 6.357 -5.603 1.00 10.51 N ATOM 0 H LYS A 11 -13.228 2.641 -5.522 1.00 7.38 H new ATOM 0 HA LYS A 11 -13.767 3.712 -2.942 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.112 1.502 -4.560 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -15.795 2.181 -3.096 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -14.961 3.988 -5.404 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -16.527 3.201 -5.407 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -16.933 4.214 -3.077 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -15.464 5.143 -3.298 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -17.853 5.189 -5.215 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -17.525 6.416 -4.008 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -16.572 7.205 -5.997 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -15.252 6.632 -5.095 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -15.872 5.706 -6.376 1.00 10.51 H new ATOM 113 N LYS A 12 -12.817 0.556 -3.016 1.00 5.08 N ATOM 114 CA LYS A 12 -12.317 -0.530 -2.134 1.00 4.72 C ATOM 115 C LYS A 12 -11.100 0.004 -1.391 1.00 4.34 C ATOM 116 O LYS A 12 -10.915 -0.236 -0.215 1.00 4.65 O ATOM 117 CB LYS A 12 -11.916 -1.735 -2.989 1.00 6.91 C ATOM 118 CG LYS A 12 -13.168 -2.379 -3.590 1.00 7.86 C ATOM 119 CD LYS A 12 -12.762 -3.581 -4.445 1.00 8.86 C ATOM 120 CE LYS A 12 -14.006 -4.204 -5.076 1.00 9.89 C ATOM 121 NZ LYS A 12 -13.600 -5.342 -5.948 1.00 10.82 N ATOM 0 H LYS A 12 -12.779 0.357 -4.016 1.00 5.08 H new ATOM 0 HA LYS A 12 -13.087 -0.843 -1.429 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -11.240 -1.421 -3.784 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.377 -2.462 -2.381 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -13.844 -2.696 -2.796 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -13.708 -1.653 -4.197 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -12.065 -3.268 -5.223 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -12.245 -4.319 -3.831 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -14.687 -4.552 -4.299 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -14.544 -3.457 -5.660 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -14.445 -5.768 -6.379 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -12.966 -4.997 -6.697 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -13.105 -6.057 -5.378 1.00 10.82 H new ATOM 135 N TRP A 13 -10.275 0.750 -2.067 1.00 4.15 N ATOM 136 CA TRP A 13 -9.079 1.316 -1.400 1.00 3.58 C ATOM 137 C TRP A 13 -9.542 2.197 -0.242 1.00 2.38 C ATOM 138 O TRP A 13 -8.859 2.359 0.740 1.00 2.83 O ATOM 139 CB TRP A 13 -8.286 2.167 -2.392 1.00 4.70 C ATOM 140 CG TRP A 13 -7.932 1.364 -3.609 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.135 0.031 -3.772 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.311 1.830 -4.838 1.00 5.21 C ATOM 143 NE1 TRP A 13 -7.676 -0.342 -5.022 1.00 5.86 N ATOM 144 CE2 TRP A 13 -7.156 0.733 -5.716 1.00 5.70 C ATOM 145 CE3 TRP A 13 -6.867 3.092 -5.269 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -6.582 0.882 -6.982 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -6.288 3.249 -6.538 1.00 5.91 C ATOM 148 CH2 TRP A 13 -6.145 2.145 -7.393 1.00 6.26 C ATOM 0 H TRP A 13 -10.379 0.991 -3.053 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.444 0.509 -1.034 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -8.873 3.039 -2.682 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.378 2.538 -1.917 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -8.582 -0.630 -3.044 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -7.716 -1.294 -5.387 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -6.972 3.948 -4.619 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -6.477 0.029 -7.637 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -5.951 4.224 -6.858 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -5.698 2.271 -8.368 1.00 6.26 H new ATOM 159 N ALA A 14 -10.703 2.774 -0.351 1.00 0.01 N ATOM 160 CA ALA A 14 -11.200 3.642 0.752 1.00 0.01 C ATOM 161 C ALA A 14 -11.804 2.769 1.852 1.00 0.01 C ATOM 162 O ALA A 14 -12.202 3.254 2.893 1.00 0.01 O ATOM 163 CB ALA A 14 -12.270 4.585 0.207 1.00 0.00 C ATOM 0 H ALA A 14 -11.328 2.684 -1.152 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.374 4.223 1.162 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -12.637 5.223 1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.842 5.205 -0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.096 4.002 -0.199 1.00 0.00 H new ATOM 169 N GLU A 15 -11.887 1.483 1.627 1.00 0.01 N ATOM 170 CA GLU A 15 -12.477 0.576 2.657 1.00 0.01 C ATOM 171 C GLU A 15 -11.373 -0.023 3.536 1.00 0.01 C ATOM 172 O GLU A 15 -11.596 -0.330 4.690 1.00 0.01 O ATOM 173 CB GLU A 15 -13.233 -0.554 1.957 1.00 0.01 C ATOM 174 CG GLU A 15 -14.472 0.017 1.265 1.00 0.01 C ATOM 175 CD GLU A 15 -15.136 -1.078 0.431 1.00 0.01 C ATOM 176 OE1 GLU A 15 -14.624 -2.186 0.430 1.00 0.01 O ATOM 177 OE2 GLU A 15 -16.146 -0.793 -0.191 1.00 0.01 O ATOM 0 H GLU A 15 -11.571 1.021 0.774 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.158 1.149 3.286 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -12.587 -1.041 1.227 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.525 -1.314 2.681 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -15.173 0.400 2.007 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -14.192 0.856 0.628 1.00 0.01 H new ATOM 184 N SER A 16 -10.183 -0.200 3.016 1.00 0.01 N ATOM 185 CA SER A 16 -9.101 -0.789 3.861 1.00 0.01 C ATOM 186 C SER A 16 -7.754 -0.752 3.131 1.00 0.00 C ATOM 187 O SER A 16 -7.680 -0.864 1.923 1.00 0.00 O ATOM 188 CB SER A 16 -9.452 -2.241 4.195 1.00 0.01 C ATOM 189 OG SER A 16 -9.791 -2.930 2.996 1.00 0.01 O ATOM 0 H SER A 16 -9.918 0.034 2.059 1.00 0.01 H new ATOM 0 HA SER A 16 -9.018 -0.201 4.775 1.00 0.01 H new ATOM 0 HB2 SER A 16 -8.608 -2.729 4.682 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.287 -2.274 4.895 1.00 0.01 H new ATOM 0 HG SER A 16 -10.015 -3.861 3.206 1.00 0.01 H new ATOM 195 N LEU A 17 -6.686 -0.608 3.875 1.00 0.00 N ATOM 196 CA LEU A 17 -5.322 -0.572 3.269 1.00 0.00 C ATOM 197 C LEU A 17 -5.042 -1.873 2.519 1.00 0.01 C ATOM 198 O LEU A 17 -4.438 -1.877 1.463 1.00 0.00 O ATOM 199 CB LEU A 17 -4.293 -0.403 4.393 1.00 0.01 C ATOM 200 CG LEU A 17 -2.861 -0.381 3.825 1.00 0.00 C ATOM 201 CD1 LEU A 17 -2.701 0.809 2.865 1.00 0.01 C ATOM 202 CD2 LEU A 17 -1.840 -0.275 4.986 1.00 0.00 C ATOM 0 H LEU A 17 -6.703 -0.513 4.890 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.258 0.259 2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.488 0.522 4.935 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.393 -1.219 5.109 1.00 0.01 H new ATOM 0 HG LEU A 17 -2.675 -1.304 3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.687 0.821 2.466 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.413 0.713 2.045 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -2.890 1.738 3.403 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -0.828 -0.260 4.581 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.020 0.642 5.546 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.952 -1.133 5.649 1.00 0.00 H new ATOM 214 N GLU A 18 -5.453 -2.979 3.065 1.00 0.01 N ATOM 215 CA GLU A 18 -5.186 -4.280 2.398 1.00 0.00 C ATOM 216 C GLU A 18 -5.669 -4.230 0.948 1.00 0.00 C ATOM 217 O GLU A 18 -4.983 -4.665 0.050 1.00 0.01 O ATOM 218 CB GLU A 18 -5.941 -5.385 3.141 1.00 0.01 C ATOM 219 CG GLU A 18 -5.311 -5.607 4.518 1.00 0.01 C ATOM 220 CD GLU A 18 -6.073 -6.711 5.253 1.00 0.00 C ATOM 221 OE1 GLU A 18 -7.112 -7.115 4.759 1.00 0.01 O ATOM 222 OE2 GLU A 18 -5.598 -7.141 6.291 1.00 0.01 O ATOM 0 H GLU A 18 -5.963 -3.039 3.946 1.00 0.01 H new ATOM 0 HA GLU A 18 -4.115 -4.482 2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.990 -5.111 3.251 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -5.912 -6.309 2.564 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -4.262 -5.884 4.410 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -5.339 -4.683 5.096 1.00 0.01 H new ATOM 229 N ASN A 19 -6.837 -3.700 0.709 1.00 0.01 N ATOM 230 CA ASN A 19 -7.354 -3.631 -0.693 1.00 0.00 C ATOM 231 C ASN A 19 -6.405 -2.808 -1.564 1.00 0.00 C ATOM 232 O ASN A 19 -6.038 -3.211 -2.649 1.00 0.01 O ATOM 233 CB ASN A 19 -8.728 -2.961 -0.697 1.00 0.01 C ATOM 234 CG ASN A 19 -9.757 -3.892 -0.055 1.00 0.01 C ATOM 235 OD1 ASN A 19 -9.629 -5.099 -0.121 1.00 0.01 O ATOM 236 ND2 ASN A 19 -10.780 -3.380 0.569 1.00 0.01 N ATOM 0 H ASN A 19 -7.457 -3.312 1.420 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.428 -4.643 -1.090 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.685 -2.019 -0.151 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -9.025 -2.724 -1.719 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -11.472 -3.992 1.001 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -10.889 -2.367 0.625 1.00 0.01 H new ATOM 243 N LEU A 20 -6.003 -1.661 -1.101 1.00 0.00 N ATOM 244 CA LEU A 20 -5.082 -0.813 -1.906 1.00 0.01 C ATOM 245 C LEU A 20 -3.789 -1.587 -2.166 1.00 0.01 C ATOM 246 O LEU A 20 -3.277 -1.612 -3.266 1.00 0.00 O ATOM 247 CB LEU A 20 -4.783 0.470 -1.120 1.00 0.00 C ATOM 248 CG LEU A 20 -3.796 1.372 -1.877 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.389 1.810 -3.221 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.528 2.615 -1.027 1.00 0.01 C ATOM 0 H LEU A 20 -6.272 -1.272 -0.197 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.538 -0.554 -2.861 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -5.711 1.013 -0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.370 0.213 -0.145 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.874 0.820 -2.062 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -3.676 2.448 -3.743 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -4.601 0.931 -3.829 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.312 2.363 -3.048 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -2.829 3.268 -1.548 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.464 3.148 -0.856 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -3.101 2.316 -0.070 1.00 0.01 H new ATOM 262 N ILE A 21 -3.260 -2.216 -1.157 1.00 0.01 N ATOM 263 CA ILE A 21 -2.001 -2.989 -1.331 1.00 0.00 C ATOM 264 C ILE A 21 -2.292 -4.358 -1.961 1.00 0.00 C ATOM 265 O ILE A 21 -1.432 -4.959 -2.569 1.00 0.00 O ATOM 266 CB ILE A 21 -1.331 -3.164 0.036 1.00 0.00 C ATOM 267 CG1 ILE A 21 -1.013 -1.776 0.610 1.00 0.00 C ATOM 268 CG2 ILE A 21 -0.038 -3.970 -0.119 1.00 0.00 C ATOM 269 CD1 ILE A 21 -0.408 -1.917 2.009 1.00 0.01 C ATOM 0 H ILE A 21 -3.648 -2.228 -0.214 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.333 -2.446 -1.999 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.999 -3.699 0.710 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.317 -1.252 -0.046 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.921 -1.175 0.656 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.434 -4.091 0.856 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.268 -4.951 -0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.642 -3.442 -0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.185 -0.928 2.410 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -1.118 -2.422 2.663 1.00 0.01 H new ATOM 0 HD13 ILE A 21 0.511 -2.501 1.951 1.00 0.01 H new ATOM 281 N ASN A 22 -3.486 -4.875 -1.817 1.00 0.00 N ATOM 282 CA ASN A 22 -3.789 -6.218 -2.409 1.00 0.01 C ATOM 283 C ASN A 22 -4.332 -6.065 -3.831 1.00 0.01 C ATOM 284 O ASN A 22 -4.642 -7.040 -4.485 1.00 0.01 O ATOM 285 CB ASN A 22 -4.835 -6.944 -1.559 1.00 0.01 C ATOM 286 CG ASN A 22 -4.228 -7.309 -0.203 1.00 0.01 C ATOM 287 OD1 ASN A 22 -3.023 -7.329 -0.051 1.00 0.01 O ATOM 288 ND2 ASN A 22 -5.017 -7.619 0.786 1.00 0.01 N ATOM 0 H ASN A 22 -4.259 -4.432 -1.320 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.865 -6.795 -2.432 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -5.709 -6.309 -1.419 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -5.174 -7.844 -2.072 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -4.623 -7.879 1.690 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -6.029 -7.602 0.656 1.00 0.01 H new ATOM 295 N HIS A 23 -4.458 -4.858 -4.320 1.00 0.01 N ATOM 296 CA HIS A 23 -4.989 -4.666 -5.706 1.00 0.01 C ATOM 297 C HIS A 23 -3.820 -4.521 -6.689 1.00 0.01 C ATOM 298 O HIS A 23 -2.864 -3.816 -6.437 1.00 0.01 O ATOM 299 CB HIS A 23 -5.858 -3.411 -5.745 1.00 0.00 C ATOM 300 CG HIS A 23 -6.631 -3.389 -7.028 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.088 -2.916 -8.210 1.00 0.01 N ATOM 302 CD2 HIS A 23 -7.909 -3.786 -7.332 1.00 0.01 C ATOM 303 CE1 HIS A 23 -7.029 -3.038 -9.162 1.00 0.01 C ATOM 304 NE2 HIS A 23 -8.158 -3.563 -8.679 1.00 0.01 N ATOM 0 H HIS A 23 -4.218 -4.000 -3.823 1.00 0.01 H new ATOM 0 HA HIS A 23 -5.589 -5.530 -5.991 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -6.540 -3.400 -4.895 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.235 -2.520 -5.666 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.613 -4.208 -6.630 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -6.889 -2.747 -10.193 1.00 0.01 H new ATOM 0 HE2 HIS A 23 -9.019 -3.758 -9.190 1.00 0.01 H new ATOM 312 N GLU A 24 -3.887 -5.204 -7.801 1.00 0.01 N ATOM 313 CA GLU A 24 -2.779 -5.138 -8.802 1.00 0.01 C ATOM 314 C GLU A 24 -2.576 -3.705 -9.309 1.00 0.01 C ATOM 315 O GLU A 24 -1.457 -3.258 -9.494 1.00 0.01 O ATOM 316 CB GLU A 24 -3.119 -6.047 -9.982 1.00 0.01 C ATOM 317 CG GLU A 24 -1.979 -6.012 -10.999 1.00 0.01 C ATOM 318 CD GLU A 24 -2.207 -7.098 -12.050 1.00 0.01 C ATOM 319 OE1 GLU A 24 -3.181 -7.822 -11.922 1.00 0.00 O ATOM 320 OE2 GLU A 24 -1.406 -7.190 -12.965 1.00 0.01 O ATOM 0 H GLU A 24 -4.666 -5.809 -8.061 1.00 0.01 H new ATOM 0 HA GLU A 24 -1.857 -5.465 -8.322 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -3.279 -7.068 -9.634 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -4.048 -5.721 -10.450 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -1.931 -5.033 -11.476 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -1.024 -6.170 -10.498 1.00 0.01 H new ATOM 327 N CYS A 25 -3.631 -2.972 -9.537 1.00 0.01 N ATOM 328 CA CYS A 25 -3.458 -1.579 -10.039 1.00 0.01 C ATOM 329 C CYS A 25 -3.214 -0.665 -8.847 1.00 0.01 C ATOM 330 O CYS A 25 -2.468 0.288 -8.927 1.00 0.00 O ATOM 331 CB CYS A 25 -4.715 -1.131 -10.792 1.00 0.01 C ATOM 332 SG CYS A 25 -4.309 0.287 -11.840 1.00 0.00 S ATOM 0 H CYS A 25 -4.596 -3.273 -9.399 1.00 0.01 H new ATOM 0 HA CYS A 25 -2.612 -1.534 -10.724 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -5.100 -1.949 -11.400 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.500 -0.863 -10.085 1.00 0.01 H new ATOM 0 HG CYS A 25 -5.372 0.670 -12.483 1.00 0.00 H new ATOM 338 N GLY A 26 -3.811 -0.964 -7.728 1.00 0.01 N ATOM 339 CA GLY A 26 -3.567 -0.121 -6.535 1.00 0.01 C ATOM 340 C GLY A 26 -2.075 -0.173 -6.236 1.00 0.01 C ATOM 341 O GLY A 26 -1.454 0.826 -5.955 1.00 0.01 O ATOM 0 H GLY A 26 -4.450 -1.747 -7.592 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -3.886 0.905 -6.719 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -4.142 -0.486 -5.684 1.00 0.01 H new ATOM 345 N LEU A 27 -1.490 -1.339 -6.317 1.00 0.01 N ATOM 346 CA LEU A 27 -0.028 -1.457 -6.066 1.00 0.00 C ATOM 347 C LEU A 27 0.726 -0.589 -7.074 1.00 0.00 C ATOM 348 O LEU A 27 1.566 0.206 -6.715 1.00 0.00 O ATOM 349 CB LEU A 27 0.404 -2.920 -6.223 1.00 0.00 C ATOM 350 CG LEU A 27 -0.055 -3.746 -5.007 1.00 0.00 C ATOM 351 CD1 LEU A 27 -0.060 -5.232 -5.374 1.00 0.00 C ATOM 352 CD2 LEU A 27 0.906 -3.535 -3.821 1.00 0.01 C ATOM 0 H LEU A 27 -1.963 -2.213 -6.546 1.00 0.01 H new ATOM 0 HA LEU A 27 0.198 -1.123 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.022 -3.336 -7.136 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.488 -2.978 -6.322 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.056 -3.422 -4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.385 -5.818 -4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.744 -5.399 -6.206 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.945 -5.539 -5.663 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.568 -4.125 -2.969 1.00 0.01 H new ATOM 0 HD22 LEU A 27 1.910 -3.850 -4.106 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.921 -2.480 -3.548 1.00 0.01 H new ATOM 364 N ALA A 28 0.426 -0.719 -8.339 1.00 0.00 N ATOM 365 CA ALA A 28 1.138 0.119 -9.341 1.00 0.00 C ATOM 366 C ALA A 28 0.866 1.584 -9.012 1.00 0.01 C ATOM 367 O ALA A 28 1.747 2.421 -9.052 1.00 0.00 O ATOM 368 CB ALA A 28 0.611 -0.205 -10.741 1.00 0.00 C ATOM 0 H ALA A 28 -0.272 -1.360 -8.716 1.00 0.00 H new ATOM 0 HA ALA A 28 2.209 -0.079 -9.314 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.132 0.408 -11.477 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.783 -1.259 -10.960 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.458 0.005 -10.785 1.00 0.00 H new ATOM 374 N ALA A 29 -0.352 1.890 -8.667 1.00 0.00 N ATOM 375 CA ALA A 29 -0.699 3.291 -8.312 1.00 0.01 C ATOM 376 C ALA A 29 -0.048 3.653 -6.978 1.00 0.00 C ATOM 377 O ALA A 29 0.432 4.751 -6.787 1.00 0.00 O ATOM 378 CB ALA A 29 -2.218 3.419 -8.169 1.00 0.01 C ATOM 0 H ALA A 29 -1.125 1.226 -8.616 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.341 3.960 -9.095 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.474 4.446 -7.909 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.696 3.154 -9.112 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.567 2.748 -7.384 1.00 0.01 H new ATOM 384 N PHE A 30 -0.052 2.742 -6.043 1.00 0.00 N ATOM 385 CA PHE A 30 0.540 3.043 -4.715 1.00 0.00 C ATOM 386 C PHE A 30 2.063 3.154 -4.817 1.00 0.00 C ATOM 387 O PHE A 30 2.661 4.034 -4.239 1.00 0.00 O ATOM 388 CB PHE A 30 0.165 1.950 -3.708 1.00 0.00 C ATOM 389 CG PHE A 30 0.496 2.428 -2.313 1.00 0.00 C ATOM 390 CD1 PHE A 30 -0.177 3.535 -1.786 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.479 1.782 -1.554 1.00 0.00 C ATOM 392 CE1 PHE A 30 0.127 3.999 -0.508 1.00 0.00 C ATOM 393 CE2 PHE A 30 1.781 2.246 -0.266 1.00 0.00 C ATOM 394 CZ PHE A 30 1.104 3.358 0.254 1.00 0.00 C ATOM 0 H PHE A 30 -0.440 1.804 -6.144 1.00 0.00 H new ATOM 0 HA PHE A 30 0.142 3.998 -4.371 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.897 1.718 -3.784 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.709 1.032 -3.930 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.936 4.032 -2.372 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.003 0.929 -1.959 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.394 4.856 -0.107 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.535 1.747 0.325 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.339 3.718 1.245 1.00 0.00 H new ATOM 404 N LYS A 31 2.702 2.272 -5.538 1.00 0.00 N ATOM 405 CA LYS A 31 4.189 2.349 -5.645 1.00 0.00 C ATOM 406 C LYS A 31 4.590 3.690 -6.252 1.00 0.00 C ATOM 407 O LYS A 31 5.528 4.326 -5.805 1.00 0.00 O ATOM 408 CB LYS A 31 4.692 1.204 -6.525 1.00 0.00 C ATOM 409 CG LYS A 31 4.515 -0.118 -5.781 1.00 0.00 C ATOM 410 CD LYS A 31 5.006 -1.265 -6.660 1.00 0.00 C ATOM 411 CE LYS A 31 4.829 -2.586 -5.914 1.00 0.01 C ATOM 412 NZ LYS A 31 5.856 -2.697 -4.843 1.00 0.00 N ATOM 0 H LYS A 31 2.264 1.508 -6.053 1.00 0.00 H new ATOM 0 HA LYS A 31 4.634 2.263 -4.654 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.140 1.183 -7.465 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.742 1.356 -6.775 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.073 -0.098 -4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.466 -0.266 -5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.448 -1.285 -7.596 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.055 -1.118 -6.917 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.830 -2.639 -5.481 1.00 0.01 H new ATOM 0 HE3 LYS A 31 4.921 -3.422 -6.608 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 5.465 -3.232 -4.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.693 -3.191 -5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.129 -1.746 -4.524 1.00 0.00 H new ATOM 426 N ALA A 32 3.881 4.149 -7.245 1.00 0.00 N ATOM 427 CA ALA A 32 4.232 5.466 -7.834 1.00 0.00 C ATOM 428 C ALA A 32 3.921 6.539 -6.795 1.00 0.01 C ATOM 429 O ALA A 32 4.662 7.483 -6.609 1.00 0.00 O ATOM 430 CB ALA A 32 3.392 5.711 -9.092 1.00 0.00 C ATOM 0 H ALA A 32 3.084 3.674 -7.669 1.00 0.00 H new ATOM 0 HA ALA A 32 5.287 5.491 -8.108 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.653 6.679 -9.521 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.591 4.925 -9.821 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.334 5.704 -8.830 1.00 0.00 H new ATOM 436 N PHE A 33 2.824 6.383 -6.109 1.00 0.00 N ATOM 437 CA PHE A 33 2.431 7.364 -5.059 1.00 0.00 C ATOM 438 C PHE A 33 3.492 7.419 -3.959 1.00 0.00 C ATOM 439 O PHE A 33 3.818 8.474 -3.451 1.00 0.00 O ATOM 440 CB PHE A 33 1.107 6.925 -4.456 1.00 0.00 C ATOM 441 CG PHE A 33 0.682 7.898 -3.389 1.00 0.00 C ATOM 442 CD1 PHE A 33 0.021 9.077 -3.748 1.00 0.00 C ATOM 443 CD2 PHE A 33 0.937 7.619 -2.040 1.00 0.00 C ATOM 444 CE1 PHE A 33 -0.384 9.979 -2.761 1.00 0.01 C ATOM 445 CE2 PHE A 33 0.531 8.522 -1.052 1.00 0.00 C ATOM 446 CZ PHE A 33 -0.129 9.702 -1.414 1.00 0.00 C ATOM 0 H PHE A 33 2.174 5.607 -6.233 1.00 0.00 H new ATOM 0 HA PHE A 33 2.337 8.354 -5.506 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.345 6.868 -5.233 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.204 5.926 -4.031 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.176 9.290 -4.788 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.446 6.708 -1.763 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.894 10.890 -3.038 1.00 0.01 H new ATOM 0 HE2 PHE A 33 0.726 8.309 -0.011 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.442 10.400 -0.652 1.00 0.00 H new ATOM 456 N LEU A 34 4.033 6.290 -3.582 1.00 0.00 N ATOM 457 CA LEU A 34 5.068 6.288 -2.504 1.00 0.00 C ATOM 458 C LEU A 34 6.242 7.136 -2.964 1.00 0.00 C ATOM 459 O LEU A 34 6.830 7.875 -2.200 1.00 0.00 O ATOM 460 CB LEU A 34 5.578 4.868 -2.248 1.00 0.00 C ATOM 461 CG LEU A 34 4.498 4.008 -1.574 1.00 0.00 C ATOM 462 CD1 LEU A 34 4.989 2.558 -1.517 1.00 0.00 C ATOM 463 CD2 LEU A 34 4.217 4.514 -0.144 1.00 0.00 C ATOM 0 H LEU A 34 3.806 5.375 -3.970 1.00 0.00 H new ATOM 0 HA LEU A 34 4.626 6.682 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.877 4.410 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.465 4.905 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 34 3.575 4.072 -2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.231 1.936 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.172 2.196 -2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.913 2.509 -0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.449 3.893 0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.131 4.460 0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.871 5.547 -0.185 1.00 0.00 H new ATOM 475 N LYS A 35 6.586 7.030 -4.211 1.00 0.00 N ATOM 476 CA LYS A 35 7.722 7.822 -4.737 1.00 0.00 C ATOM 477 C LYS A 35 7.424 9.299 -4.499 1.00 0.01 C ATOM 478 O LYS A 35 8.291 10.068 -4.131 1.00 0.00 O ATOM 479 CB LYS A 35 7.871 7.547 -6.230 1.00 0.00 C ATOM 480 CG LYS A 35 9.184 8.145 -6.735 1.00 0.00 C ATOM 481 CD LYS A 35 9.346 7.837 -8.229 1.00 0.00 C ATOM 482 CE LYS A 35 9.460 6.316 -8.454 1.00 0.00 C ATOM 483 NZ LYS A 35 8.100 5.737 -8.654 1.00 0.01 N ATOM 0 H LYS A 35 6.126 6.425 -4.892 1.00 0.00 H new ATOM 0 HA LYS A 35 8.650 7.550 -4.235 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.854 6.473 -6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.031 7.978 -6.775 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.191 9.223 -6.572 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.023 7.732 -6.175 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.493 8.230 -8.783 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.235 8.336 -8.616 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.084 6.113 -9.324 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.944 5.847 -7.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.899 5.053 -7.897 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 7.392 6.498 -8.629 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 8.059 5.256 -9.575 1.00 0.01 H new ATOM 497 N SER A 36 6.197 9.699 -4.688 1.00 0.00 N ATOM 498 CA SER A 36 5.835 11.123 -4.449 1.00 0.00 C ATOM 499 C SER A 36 6.071 11.439 -2.973 1.00 0.00 C ATOM 500 O SER A 36 6.369 12.558 -2.604 1.00 0.00 O ATOM 501 CB SER A 36 4.361 11.345 -4.789 1.00 0.00 C ATOM 502 OG SER A 36 4.116 10.925 -6.125 1.00 0.00 O ATOM 0 H SER A 36 5.430 9.101 -4.997 1.00 0.00 H new ATOM 0 HA SER A 36 6.444 11.773 -5.076 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.729 10.786 -4.099 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.105 12.398 -4.674 1.00 0.00 H new ATOM 0 HG SER A 36 3.171 11.065 -6.344 1.00 0.00 H new ATOM 508 N GLU A 37 5.947 10.449 -2.124 1.00 0.00 N ATOM 509 CA GLU A 37 6.167 10.663 -0.659 1.00 0.00 C ATOM 510 C GLU A 37 7.543 10.121 -0.274 1.00 0.00 C ATOM 511 O GLU A 37 7.914 10.107 0.883 1.00 0.00 O ATOM 512 CB GLU A 37 5.101 9.911 0.135 1.00 0.00 C ATOM 513 CG GLU A 37 3.746 10.591 -0.050 1.00 0.00 C ATOM 514 CD GLU A 37 2.690 9.829 0.751 1.00 0.01 C ATOM 515 OE1 GLU A 37 3.004 8.754 1.233 1.00 0.00 O ATOM 516 OE2 GLU A 37 1.585 10.334 0.869 1.00 0.00 O ATOM 0 H GLU A 37 5.701 9.494 -2.385 1.00 0.00 H new ATOM 0 HA GLU A 37 6.107 11.728 -0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.048 8.875 -0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.367 9.891 1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.797 11.627 0.285 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.476 10.610 -1.106 1.00 0.00 H new ATOM 523 N TYR A 38 8.298 9.668 -1.237 1.00 0.00 N ATOM 524 CA TYR A 38 9.651 9.120 -0.937 1.00 0.00 C ATOM 525 C TYR A 38 9.536 8.035 0.130 1.00 0.00 C ATOM 526 O TYR A 38 10.450 7.801 0.895 1.00 0.00 O ATOM 527 CB TYR A 38 10.561 10.241 -0.444 1.00 0.00 C ATOM 528 CG TYR A 38 10.671 11.283 -1.524 1.00 0.00 C ATOM 529 CD1 TYR A 38 9.763 12.345 -1.571 1.00 0.00 C ATOM 530 CD2 TYR A 38 11.678 11.178 -2.487 1.00 0.00 C ATOM 531 CE1 TYR A 38 9.864 13.307 -2.583 1.00 0.00 C ATOM 532 CE2 TYR A 38 11.782 12.137 -3.498 1.00 0.00 C ATOM 533 CZ TYR A 38 10.875 13.202 -3.548 1.00 0.01 C ATOM 534 OH TYR A 38 10.976 14.147 -4.547 1.00 0.00 O ATOM 0 H TYR A 38 8.035 9.654 -2.222 1.00 0.00 H new ATOM 0 HA TYR A 38 10.078 8.688 -1.842 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.157 10.682 0.467 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.547 9.847 -0.197 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.984 12.423 -0.827 1.00 0.00 H new ATOM 0 HD2 TYR A 38 12.376 10.355 -2.450 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.164 14.129 -2.620 1.00 0.00 H new ATOM 0 HE2 TYR A 38 12.562 12.057 -4.241 1.00 0.00 H new ATOM 0 HH TYR A 38 11.731 13.926 -5.131 1.00 0.00 H new ATOM 544 N SER A 39 8.411 7.369 0.178 1.00 0.00 N ATOM 545 CA SER A 39 8.200 6.284 1.181 1.00 0.00 C ATOM 546 C SER A 39 8.255 4.932 0.466 1.00 0.00 C ATOM 547 O SER A 39 7.675 3.960 0.907 1.00 0.00 O ATOM 548 CB SER A 39 6.833 6.471 1.849 1.00 0.00 C ATOM 549 OG SER A 39 6.943 7.452 2.872 1.00 0.00 O ATOM 0 H SER A 39 7.620 7.534 -0.444 1.00 0.00 H new ATOM 0 HA SER A 39 8.976 6.321 1.945 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.093 6.780 1.110 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.488 5.526 2.270 1.00 0.00 H new ATOM 0 HG SER A 39 6.071 7.576 3.301 1.00 0.00 H new ATOM 555 N GLU A 40 8.950 4.864 -0.642 1.00 0.00 N ATOM 556 CA GLU A 40 9.040 3.576 -1.387 1.00 0.00 C ATOM 557 C GLU A 40 9.768 2.547 -0.528 1.00 0.00 C ATOM 558 O GLU A 40 9.613 1.359 -0.697 1.00 0.00 O ATOM 559 CB GLU A 40 9.785 3.787 -2.714 1.00 0.00 C ATOM 560 CG GLU A 40 11.183 4.382 -2.468 1.00 0.00 C ATOM 561 CD GLU A 40 11.078 5.887 -2.202 1.00 0.00 C ATOM 562 OE1 GLU A 40 10.097 6.479 -2.618 1.00 0.00 O ATOM 563 OE2 GLU A 40 11.985 6.422 -1.587 1.00 0.00 O ATOM 0 H GLU A 40 9.457 5.644 -1.060 1.00 0.00 H new ATOM 0 HA GLU A 40 8.037 3.212 -1.609 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.877 2.837 -3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.210 4.453 -3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.652 3.887 -1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.820 4.202 -3.334 1.00 0.00 H new ATOM 570 N GLU A 41 10.552 2.986 0.405 1.00 0.00 N ATOM 571 CA GLU A 41 11.259 2.016 1.274 1.00 0.00 C ATOM 572 C GLU A 41 10.214 1.205 2.039 1.00 0.00 C ATOM 573 O GLU A 41 10.413 0.047 2.354 1.00 0.00 O ATOM 574 CB GLU A 41 12.138 2.780 2.262 1.00 0.00 C ATOM 575 CG GLU A 41 11.256 3.667 3.146 1.00 0.00 C ATOM 576 CD GLU A 41 12.126 4.698 3.865 1.00 0.00 C ATOM 577 OE1 GLU A 41 13.314 4.738 3.584 1.00 0.00 O ATOM 578 OE2 GLU A 41 11.592 5.433 4.676 1.00 0.00 O ATOM 0 H GLU A 41 10.735 3.970 0.604 1.00 0.00 H new ATOM 0 HA GLU A 41 11.883 1.351 0.676 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.704 2.081 2.878 1.00 0.00 H new ATOM 0 HB3 GLU A 41 12.863 3.390 1.724 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.504 4.171 2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.721 3.056 3.873 1.00 0.00 H new ATOM 585 N ASN A 42 9.104 1.818 2.349 1.00 0.00 N ATOM 586 CA ASN A 42 8.034 1.108 3.104 1.00 0.00 C ATOM 587 C ASN A 42 7.529 -0.122 2.337 1.00 0.00 C ATOM 588 O ASN A 42 7.339 -1.173 2.914 1.00 0.00 O ATOM 589 CB ASN A 42 6.860 2.058 3.349 1.00 0.00 C ATOM 590 CG ASN A 42 7.264 3.133 4.361 1.00 0.00 C ATOM 591 OD1 ASN A 42 8.207 2.958 5.108 1.00 0.00 O ATOM 592 ND2 ASN A 42 6.576 4.240 4.430 1.00 0.00 N ATOM 0 H ASN A 42 8.892 2.787 2.110 1.00 0.00 H new ATOM 0 HA ASN A 42 8.457 0.776 4.052 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.556 2.524 2.412 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.001 1.500 3.721 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.830 4.957 5.110 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.785 4.388 3.804 1.00 0.00 H new ATOM 599 N ILE A 43 7.282 -0.011 1.053 1.00 0.00 N ATOM 600 CA ILE A 43 6.763 -1.204 0.320 1.00 0.00 C ATOM 601 C ILE A 43 7.871 -2.250 0.213 1.00 0.00 C ATOM 602 O ILE A 43 7.645 -3.424 0.418 1.00 0.00 O ATOM 603 CB ILE A 43 6.246 -0.805 -1.079 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.282 -1.887 -1.603 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.409 -0.665 -2.069 1.00 0.00 C ATOM 606 CD1 ILE A 43 3.970 -1.891 -0.800 1.00 0.00 C ATOM 0 H ILE A 43 7.414 0.832 0.494 1.00 0.00 H new ATOM 0 HA ILE A 43 5.924 -1.628 0.872 1.00 0.00 H new ATOM 0 HB ILE A 43 5.731 0.152 -0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.067 -1.709 -2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.757 -2.866 -1.536 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.021 -0.383 -3.048 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.097 0.104 -1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.937 -1.616 -2.147 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.307 -2.664 -1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.186 -2.094 0.249 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.486 -0.919 -0.889 1.00 0.00 H new ATOM 618 N ASP A 44 9.077 -1.841 -0.076 1.00 0.00 N ATOM 619 CA ASP A 44 10.174 -2.839 -0.159 1.00 0.00 C ATOM 620 C ASP A 44 10.285 -3.515 1.205 1.00 0.00 C ATOM 621 O ASP A 44 10.367 -4.722 1.312 1.00 0.00 O ATOM 622 CB ASP A 44 11.493 -2.135 -0.493 1.00 0.00 C ATOM 623 CG ASP A 44 11.454 -1.628 -1.937 1.00 0.00 C ATOM 624 OD1 ASP A 44 10.647 -2.135 -2.698 1.00 0.00 O ATOM 625 OD2 ASP A 44 12.229 -0.742 -2.255 1.00 0.00 O ATOM 0 H ASP A 44 9.345 -0.873 -0.255 1.00 0.00 H new ATOM 0 HA ASP A 44 9.966 -3.572 -0.938 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.656 -1.302 0.191 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.328 -2.823 -0.361 1.00 0.00 H new ATOM 630 N PHE A 45 10.259 -2.735 2.251 1.00 0.00 N ATOM 631 CA PHE A 45 10.331 -3.306 3.621 1.00 0.00 C ATOM 632 C PHE A 45 9.115 -4.208 3.847 1.00 0.00 C ATOM 633 O PHE A 45 9.232 -5.320 4.322 1.00 0.00 O ATOM 634 CB PHE A 45 10.339 -2.161 4.637 1.00 0.00 C ATOM 635 CG PHE A 45 10.273 -2.712 6.036 1.00 0.00 C ATOM 636 CD1 PHE A 45 11.449 -3.072 6.703 1.00 0.00 C ATOM 637 CD2 PHE A 45 9.035 -2.860 6.668 1.00 0.00 C ATOM 638 CE1 PHE A 45 11.386 -3.580 8.004 1.00 0.00 C ATOM 639 CE2 PHE A 45 8.971 -3.366 7.969 1.00 0.00 C ATOM 640 CZ PHE A 45 10.146 -3.728 8.638 1.00 0.00 C ATOM 0 H PHE A 45 10.190 -1.718 2.212 1.00 0.00 H new ATOM 0 HA PHE A 45 11.240 -3.895 3.741 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.242 -1.563 4.515 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.492 -1.499 4.458 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.405 -2.958 6.213 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.128 -2.583 6.151 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.293 -3.858 8.520 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.015 -3.478 8.458 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.096 -4.121 9.643 1.00 0.00 H new ATOM 650 N TRP A 46 7.948 -3.734 3.504 1.00 0.00 N ATOM 651 CA TRP A 46 6.719 -4.557 3.690 1.00 0.00 C ATOM 652 C TRP A 46 6.839 -5.849 2.876 1.00 0.00 C ATOM 653 O TRP A 46 6.482 -6.912 3.337 1.00 0.00 O ATOM 654 CB TRP A 46 5.501 -3.762 3.214 1.00 0.00 C ATOM 655 CG TRP A 46 4.258 -4.578 3.396 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.593 -4.733 4.564 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.520 -5.341 2.398 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.494 -5.547 4.346 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.407 -5.947 3.027 1.00 0.00 C ATOM 660 CE3 TRP A 46 3.710 -5.563 1.024 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.512 -6.746 2.314 1.00 0.00 C ATOM 662 CZ3 TRP A 46 2.812 -6.367 0.303 1.00 0.00 C ATOM 663 CH2 TRP A 46 1.716 -6.958 0.947 1.00 0.00 C ATOM 0 H TRP A 46 7.793 -2.810 3.102 1.00 0.00 H new ATOM 0 HA TRP A 46 6.602 -4.806 4.745 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.421 -2.831 3.775 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.619 -3.492 2.165 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.873 -4.294 5.510 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.830 -5.818 5.071 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.552 -5.113 0.519 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.668 -7.197 2.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.967 -6.531 -0.753 1.00 0.00 H new ATOM 0 HH2 TRP A 46 1.030 -7.577 0.388 1.00 0.00 H new ATOM 674 N ILE A 47 7.340 -5.772 1.671 1.00 0.00 N ATOM 675 CA ILE A 47 7.473 -7.011 0.850 1.00 0.00 C ATOM 676 C ILE A 47 8.430 -7.968 1.555 1.00 0.00 C ATOM 677 O ILE A 47 8.201 -9.161 1.615 1.00 0.00 O ATOM 678 CB ILE A 47 8.018 -6.654 -0.540 1.00 0.00 C ATOM 679 CG1 ILE A 47 6.950 -5.892 -1.330 1.00 0.00 C ATOM 680 CG2 ILE A 47 8.387 -7.929 -1.302 1.00 0.00 C ATOM 681 CD1 ILE A 47 7.587 -5.260 -2.569 1.00 0.00 C ATOM 0 H ILE A 47 7.660 -4.913 1.223 1.00 0.00 H new ATOM 0 HA ILE A 47 6.499 -7.486 0.734 1.00 0.00 H new ATOM 0 HB ILE A 47 8.906 -6.033 -0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.148 -6.569 -1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.501 -5.120 -0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.773 -7.666 -2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.150 -8.476 -0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.502 -8.555 -1.415 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.828 -4.717 -3.132 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.373 -4.570 -2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.015 -6.042 -3.197 1.00 0.00 H new ATOM 693 N SER A 48 9.494 -7.459 2.105 1.00 0.00 N ATOM 694 CA SER A 48 10.450 -8.345 2.814 1.00 0.00 C ATOM 695 C SER A 48 9.759 -8.905 4.056 1.00 0.00 C ATOM 696 O SER A 48 9.938 -10.050 4.419 1.00 0.00 O ATOM 697 CB SER A 48 11.683 -7.542 3.226 1.00 0.00 C ATOM 698 OG SER A 48 11.332 -6.630 4.259 1.00 0.00 O ATOM 0 H SER A 48 9.742 -6.470 2.094 1.00 0.00 H new ATOM 0 HA SER A 48 10.762 -9.160 2.162 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.469 -8.214 3.571 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.081 -7.000 2.368 1.00 0.00 H new ATOM 0 HG SER A 48 10.541 -6.118 3.989 1.00 0.00 H new ATOM 704 N CYS A 49 8.960 -8.104 4.706 1.00 0.00 N ATOM 705 CA CYS A 49 8.247 -8.585 5.917 1.00 0.00 C ATOM 706 C CYS A 49 7.230 -9.661 5.515 1.00 0.00 C ATOM 707 O CYS A 49 7.026 -10.627 6.221 1.00 0.01 O ATOM 708 CB CYS A 49 7.529 -7.411 6.586 1.00 0.00 C ATOM 709 SG CYS A 49 8.756 -6.217 7.180 1.00 0.01 S ATOM 0 H CYS A 49 8.772 -7.135 4.448 1.00 0.00 H new ATOM 0 HA CYS A 49 8.963 -9.013 6.619 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.853 -6.933 5.878 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.920 -7.768 7.417 1.00 0.00 H new ATOM 0 HG CYS A 49 8.439 -5.026 6.765 1.00 0.01 H new ATOM 715 N GLU A 50 6.597 -9.514 4.383 1.00 0.00 N ATOM 716 CA GLU A 50 5.606 -10.543 3.952 1.00 0.00 C ATOM 717 C GLU A 50 6.306 -11.896 3.814 1.00 0.01 C ATOM 718 O GLU A 50 5.828 -12.903 4.297 1.00 0.00 O ATOM 719 CB GLU A 50 5.000 -10.149 2.604 1.00 0.01 C ATOM 720 CG GLU A 50 4.043 -8.970 2.789 1.00 0.00 C ATOM 721 CD GLU A 50 2.789 -9.434 3.532 1.00 0.01 C ATOM 722 OE1 GLU A 50 2.528 -10.626 3.526 1.00 0.00 O ATOM 723 OE2 GLU A 50 2.110 -8.589 4.091 1.00 0.01 O ATOM 0 H GLU A 50 6.721 -8.731 3.741 1.00 0.00 H new ATOM 0 HA GLU A 50 4.814 -10.611 4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.791 -9.880 1.904 1.00 0.01 H new ATOM 0 HB3 GLU A 50 4.468 -10.997 2.173 1.00 0.01 H new ATOM 0 HG2 GLU A 50 4.535 -8.174 3.348 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.770 -8.555 1.819 1.00 0.00 H new ATOM 730 N GLU A 51 7.442 -11.927 3.174 1.00 0.01 N ATOM 731 CA GLU A 51 8.168 -13.215 3.019 1.00 0.00 C ATOM 732 C GLU A 51 8.492 -13.751 4.411 1.00 0.01 C ATOM 733 O GLU A 51 8.383 -14.932 4.685 1.00 0.00 O ATOM 734 CB GLU A 51 9.468 -12.966 2.252 1.00 0.00 C ATOM 735 CG GLU A 51 9.142 -12.621 0.797 1.00 0.00 C ATOM 736 CD GLU A 51 10.440 -12.373 0.025 1.00 0.00 C ATOM 737 OE1 GLU A 51 11.476 -12.293 0.661 1.00 0.00 O ATOM 738 OE2 GLU A 51 10.372 -12.268 -1.188 1.00 0.01 O ATOM 0 H GLU A 51 7.897 -11.117 2.753 1.00 0.01 H new ATOM 0 HA GLU A 51 7.559 -13.935 2.472 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.025 -12.151 2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.103 -13.851 2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.583 -13.435 0.336 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.508 -11.735 0.756 1.00 0.00 H new ATOM 745 N TYR A 52 8.870 -12.875 5.293 1.00 0.00 N ATOM 746 CA TYR A 52 9.191 -13.283 6.685 1.00 0.01 C ATOM 747 C TYR A 52 7.933 -13.907 7.308 1.00 0.01 C ATOM 748 O TYR A 52 7.999 -14.881 8.032 1.00 0.01 O ATOM 749 CB TYR A 52 9.611 -12.028 7.462 1.00 0.00 C ATOM 750 CG TYR A 52 10.172 -12.399 8.814 1.00 0.01 C ATOM 751 CD1 TYR A 52 9.307 -12.689 9.871 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.559 -12.440 9.011 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.825 -13.023 11.126 1.00 0.01 C ATOM 754 CE2 TYR A 52 12.079 -12.773 10.267 1.00 0.00 C ATOM 755 CZ TYR A 52 11.212 -13.066 11.326 1.00 0.01 C ATOM 756 OH TYR A 52 11.723 -13.395 12.567 1.00 0.01 O ATOM 0 H TYR A 52 8.972 -11.877 5.106 1.00 0.00 H new ATOM 0 HA TYR A 52 10.000 -14.013 6.712 1.00 0.01 H new ATOM 0 HB2 TYR A 52 10.358 -11.475 6.892 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.753 -11.368 7.588 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.238 -12.655 9.719 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.227 -12.214 8.193 1.00 0.01 H new ATOM 0 HE1 TYR A 52 9.155 -13.248 11.943 1.00 0.01 H new ATOM 0 HE2 TYR A 52 13.148 -12.804 10.419 1.00 0.00 H new ATOM 0 HH TYR A 52 10.987 -13.602 13.180 1.00 0.01 H new ATOM 766 N LYS A 53 6.791 -13.333 7.031 1.00 0.01 N ATOM 767 CA LYS A 53 5.506 -13.858 7.594 1.00 0.01 C ATOM 768 C LYS A 53 5.106 -15.181 6.932 1.00 0.01 C ATOM 769 O LYS A 53 4.319 -15.934 7.473 1.00 0.01 O ATOM 770 CB LYS A 53 4.399 -12.833 7.358 1.00 0.01 C ATOM 771 CG LYS A 53 4.642 -11.617 8.245 1.00 0.00 C ATOM 772 CD LYS A 53 3.534 -10.585 8.013 1.00 0.00 C ATOM 773 CE LYS A 53 3.759 -9.344 8.905 1.00 0.01 C ATOM 774 NZ LYS A 53 5.182 -9.278 9.348 1.00 0.00 N ATOM 0 H LYS A 53 6.691 -12.513 6.432 1.00 0.01 H new ATOM 0 HA LYS A 53 5.648 -14.034 8.660 1.00 0.01 H new ATOM 0 HB2 LYS A 53 4.381 -12.535 6.310 1.00 0.01 H new ATOM 0 HB3 LYS A 53 3.427 -13.272 7.582 1.00 0.01 H new ATOM 0 HG2 LYS A 53 4.661 -11.916 9.293 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.614 -11.179 8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.518 -10.289 6.964 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.563 -11.028 8.234 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.500 -8.440 8.354 1.00 0.01 H new ATOM 0 HE3 LYS A 53 3.102 -9.388 9.774 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 5.389 -8.325 9.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.344 -9.976 10.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.806 -9.487 8.543 1.00 0.00 H new ATOM 788 N LYS A 54 5.615 -15.473 5.766 1.00 0.00 N ATOM 789 CA LYS A 54 5.223 -16.744 5.092 1.00 0.01 C ATOM 790 C LYS A 54 6.071 -17.889 5.642 1.00 0.01 C ATOM 791 O LYS A 54 5.644 -19.026 5.691 1.00 0.01 O ATOM 792 CB LYS A 54 5.456 -16.622 3.583 1.00 0.01 C ATOM 793 CG LYS A 54 4.441 -15.648 2.980 1.00 0.01 C ATOM 794 CD LYS A 54 4.682 -15.530 1.472 1.00 0.00 C ATOM 795 CE LYS A 54 3.670 -14.558 0.861 1.00 0.01 C ATOM 796 NZ LYS A 54 3.796 -13.229 1.521 1.00 0.01 N ATOM 0 H LYS A 54 6.280 -14.892 5.254 1.00 0.00 H new ATOM 0 HA LYS A 54 4.168 -16.942 5.280 1.00 0.01 H new ATOM 0 HB2 LYS A 54 6.470 -16.272 3.389 1.00 0.01 H new ATOM 0 HB3 LYS A 54 5.361 -17.600 3.111 1.00 0.01 H new ATOM 0 HG2 LYS A 54 3.427 -15.998 3.171 1.00 0.01 H new ATOM 0 HG3 LYS A 54 4.534 -14.670 3.452 1.00 0.01 H new ATOM 0 HD2 LYS A 54 5.697 -15.180 1.283 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.590 -16.509 1.002 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.844 -14.462 -0.211 1.00 0.01 H new ATOM 0 HE3 LYS A 54 2.658 -14.944 0.986 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 3.520 -12.482 0.852 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 3.175 -13.195 2.354 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 4.782 -13.081 1.818 1.00 0.01 H new ATOM 810 N ILE A 55 7.263 -17.597 6.073 1.00 0.01 N ATOM 811 CA ILE A 55 8.130 -18.665 6.639 1.00 0.01 C ATOM 812 C ILE A 55 7.608 -19.051 8.023 1.00 0.00 C ATOM 813 O ILE A 55 7.520 -18.226 8.912 1.00 0.01 O ATOM 814 CB ILE A 55 9.560 -18.141 6.759 1.00 0.01 C ATOM 815 CG1 ILE A 55 10.116 -17.856 5.364 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.437 -19.186 7.451 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.405 -17.048 5.499 1.00 0.01 C ATOM 0 H ILE A 55 7.676 -16.664 6.058 1.00 0.01 H new ATOM 0 HA ILE A 55 8.117 -19.538 5.987 1.00 0.01 H new ATOM 0 HB ILE A 55 9.559 -17.224 7.348 1.00 0.01 H new ATOM 0 HG12 ILE A 55 10.311 -18.791 4.838 1.00 0.01 H new ATOM 0 HG13 ILE A 55 9.385 -17.304 4.773 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.456 -18.808 7.534 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.043 -19.390 8.447 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.438 -20.106 6.866 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.809 -16.840 4.508 1.00 0.01 H new ATOM 0 HD12 ILE A 55 11.194 -16.108 6.010 1.00 0.01 H new ATOM 0 HD13 ILE A 55 12.133 -17.618 6.076 1.00 0.01 H new ATOM 829 N LYS A 56 7.265 -20.298 8.222 1.00 0.01 N ATOM 830 CA LYS A 56 6.753 -20.735 9.557 1.00 0.01 C ATOM 831 C LYS A 56 7.894 -21.380 10.342 1.00 0.01 C ATOM 832 O LYS A 56 7.724 -21.810 11.464 1.00 0.01 O ATOM 833 CB LYS A 56 5.630 -21.753 9.359 1.00 0.01 C ATOM 834 CG LYS A 56 4.423 -21.057 8.730 1.00 0.01 C ATOM 835 CD LYS A 56 3.296 -22.069 8.531 1.00 0.00 C ATOM 836 CE LYS A 56 2.092 -21.365 7.903 1.00 0.00 C ATOM 837 NZ LYS A 56 1.108 -22.380 7.433 1.00 0.00 N ATOM 0 H LYS A 56 7.317 -21.034 7.517 1.00 0.01 H new ATOM 0 HA LYS A 56 6.370 -19.875 10.107 1.00 0.01 H new ATOM 0 HB2 LYS A 56 5.970 -22.567 8.718 1.00 0.01 H new ATOM 0 HB3 LYS A 56 5.352 -22.195 10.316 1.00 0.01 H new ATOM 0 HG2 LYS A 56 4.085 -20.242 9.371 1.00 0.01 H new ATOM 0 HG3 LYS A 56 4.702 -20.615 7.773 1.00 0.01 H new ATOM 0 HD2 LYS A 56 3.632 -22.883 7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.016 -22.512 9.487 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.625 -20.702 8.631 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.416 -20.744 7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.290 -21.899 7.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.556 -22.996 6.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.790 -22.955 8.239 1.00 0.00 H new ATOM 851 N SER A 57 9.062 -21.445 9.756 1.00 0.00 N ATOM 852 CA SER A 57 10.232 -22.057 10.459 1.00 0.01 C ATOM 853 C SER A 57 11.063 -20.941 11.125 1.00 0.01 C ATOM 854 O SER A 57 11.679 -20.157 10.431 1.00 0.00 O ATOM 855 CB SER A 57 11.108 -22.771 9.430 1.00 0.01 C ATOM 856 OG SER A 57 10.426 -23.923 8.954 1.00 0.01 O ATOM 0 H SER A 57 9.257 -21.099 8.817 1.00 0.00 H new ATOM 0 HA SER A 57 9.883 -22.762 11.213 1.00 0.01 H new ATOM 0 HB2 SER A 57 11.336 -22.101 8.601 1.00 0.01 H new ATOM 0 HB3 SER A 57 12.059 -23.057 9.880 1.00 0.01 H new ATOM 0 HG SER A 57 10.984 -24.383 8.292 1.00 0.01 H new ATOM 862 N PRO A 58 11.102 -20.838 12.443 1.00 0.00 N ATOM 863 CA PRO A 58 11.905 -19.758 13.078 1.00 0.01 C ATOM 864 C PRO A 58 13.412 -20.009 12.938 1.00 0.00 C ATOM 865 O PRO A 58 14.226 -19.236 13.398 1.00 0.00 O ATOM 866 CB PRO A 58 11.452 -19.820 14.548 1.00 0.01 C ATOM 867 CG PRO A 58 10.693 -21.141 14.762 1.00 0.01 C ATOM 868 CD PRO A 58 10.378 -21.751 13.381 1.00 0.01 C ATOM 0 HA PRO A 58 11.749 -18.782 12.619 1.00 0.01 H new ATOM 0 HB2 PRO A 58 12.313 -19.764 15.214 1.00 0.01 H new ATOM 0 HB3 PRO A 58 10.811 -18.971 14.784 1.00 0.01 H new ATOM 0 HG2 PRO A 58 11.294 -21.832 15.354 1.00 0.01 H new ATOM 0 HG3 PRO A 58 9.772 -20.963 15.317 1.00 0.01 H new ATOM 0 HD2 PRO A 58 10.734 -22.778 13.302 1.00 0.01 H new ATOM 0 HD3 PRO A 58 9.307 -21.769 13.182 1.00 0.01 H new ATOM 876 N SER A 59 13.786 -21.088 12.307 1.00 0.01 N ATOM 877 CA SER A 59 15.235 -21.388 12.140 1.00 0.01 C ATOM 878 C SER A 59 15.771 -20.690 10.885 1.00 0.01 C ATOM 879 O SER A 59 16.943 -20.386 10.792 1.00 0.01 O ATOM 880 CB SER A 59 15.420 -22.896 11.993 1.00 0.01 C ATOM 881 OG SER A 59 14.761 -23.333 10.813 1.00 0.01 O ATOM 0 H SER A 59 13.151 -21.774 11.900 1.00 0.01 H new ATOM 0 HA SER A 59 15.781 -21.028 13.012 1.00 0.01 H new ATOM 0 HB2 SER A 59 16.481 -23.142 11.944 1.00 0.01 H new ATOM 0 HB3 SER A 59 15.013 -23.411 12.863 1.00 0.01 H new ATOM 0 HG SER A 59 14.878 -24.301 10.712 1.00 0.01 H new ATOM 887 N LYS A 60 14.925 -20.436 9.915 1.00 0.00 N ATOM 888 CA LYS A 60 15.400 -19.764 8.665 1.00 0.00 C ATOM 889 C LYS A 60 15.241 -18.249 8.800 1.00 0.01 C ATOM 890 O LYS A 60 15.832 -17.485 8.063 1.00 0.01 O ATOM 891 CB LYS A 60 14.561 -20.235 7.475 1.00 0.01 C ATOM 892 CG LYS A 60 14.867 -21.701 7.166 1.00 0.01 C ATOM 893 CD LYS A 60 14.016 -22.150 5.976 1.00 0.01 C ATOM 894 CE LYS A 60 14.314 -23.613 5.655 1.00 0.01 C ATOM 895 NZ LYS A 60 13.446 -24.056 4.529 1.00 0.01 N ATOM 0 H LYS A 60 13.931 -20.664 9.935 1.00 0.00 H new ATOM 0 HA LYS A 60 16.448 -20.017 8.507 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.501 -20.115 7.697 1.00 0.01 H new ATOM 0 HB3 LYS A 60 14.775 -19.619 6.602 1.00 0.01 H new ATOM 0 HG2 LYS A 60 15.926 -21.824 6.939 1.00 0.01 H new ATOM 0 HG3 LYS A 60 14.653 -22.321 8.036 1.00 0.01 H new ATOM 0 HD2 LYS A 60 12.958 -22.026 6.206 1.00 0.01 H new ATOM 0 HD3 LYS A 60 14.229 -21.526 5.108 1.00 0.01 H new ATOM 0 HE2 LYS A 60 15.364 -23.732 5.389 1.00 0.01 H new ATOM 0 HE3 LYS A 60 14.135 -24.234 6.533 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 13.646 -25.052 4.307 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 12.447 -23.956 4.800 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 13.638 -23.470 3.692 1.00 0.01 H new ATOM 909 N LEU A 61 14.445 -17.808 9.730 1.00 0.01 N ATOM 910 CA LEU A 61 14.247 -16.342 9.907 1.00 0.01 C ATOM 911 C LEU A 61 15.578 -15.677 10.276 1.00 0.01 C ATOM 912 O LEU A 61 15.888 -14.595 9.820 1.00 0.01 O ATOM 913 CB LEU A 61 13.227 -16.090 11.020 1.00 0.01 C ATOM 914 CG LEU A 61 11.874 -16.736 10.671 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.865 -16.471 11.805 1.00 0.01 C ATOM 916 CD2 LEU A 61 11.334 -16.159 9.346 1.00 0.01 C ATOM 0 H LEU A 61 13.922 -18.398 10.377 1.00 0.01 H new ATOM 0 HA LEU A 61 13.879 -15.918 8.973 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.599 -16.497 11.960 1.00 0.01 H new ATOM 0 HB3 LEU A 61 13.097 -15.018 11.166 1.00 0.01 H new ATOM 0 HG LEU A 61 12.014 -17.811 10.555 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.908 -16.929 11.555 1.00 0.01 H new ATOM 0 HD12 LEU A 61 11.241 -16.899 12.734 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.731 -15.396 11.929 1.00 0.01 H new ATOM 0 HD21 LEU A 61 10.377 -16.624 9.110 1.00 0.01 H new ATOM 0 HD22 LEU A 61 11.200 -15.082 9.446 1.00 0.01 H new ATOM 0 HD23 LEU A 61 12.044 -16.363 8.544 1.00 0.01 H new ATOM 928 N SER A 62 16.359 -16.307 11.110 1.00 0.00 N ATOM 929 CA SER A 62 17.662 -15.704 11.527 1.00 0.01 C ATOM 930 C SER A 62 18.478 -15.244 10.297 1.00 0.01 C ATOM 931 O SER A 62 18.741 -14.068 10.145 1.00 0.01 O ATOM 932 CB SER A 62 18.458 -16.727 12.367 1.00 0.01 C ATOM 933 OG SER A 62 17.938 -18.030 12.135 1.00 0.01 O ATOM 0 H SER A 62 16.152 -17.216 11.523 1.00 0.00 H new ATOM 0 HA SER A 62 17.465 -14.822 12.136 1.00 0.01 H new ATOM 0 HB2 SER A 62 19.514 -16.691 12.100 1.00 0.01 H new ATOM 0 HB3 SER A 62 18.389 -16.478 13.426 1.00 0.01 H new ATOM 0 HG SER A 62 18.442 -18.682 12.665 1.00 0.01 H new ATOM 939 N PRO A 63 18.887 -16.138 9.424 1.00 0.00 N ATOM 940 CA PRO A 63 19.681 -15.730 8.231 1.00 0.00 C ATOM 941 C PRO A 63 19.134 -14.468 7.548 1.00 0.01 C ATOM 942 O PRO A 63 19.807 -13.462 7.459 1.00 0.00 O ATOM 943 CB PRO A 63 19.564 -16.968 7.318 1.00 0.01 C ATOM 944 CG PRO A 63 18.892 -18.106 8.120 1.00 0.01 C ATOM 945 CD PRO A 63 18.609 -17.596 9.546 1.00 0.01 C ATOM 0 HA PRO A 63 20.707 -15.459 8.482 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.976 -16.731 6.431 1.00 0.01 H new ATOM 0 HB3 PRO A 63 20.550 -17.279 6.973 1.00 0.01 H new ATOM 0 HG2 PRO A 63 17.965 -18.414 7.637 1.00 0.01 H new ATOM 0 HG3 PRO A 63 19.541 -18.981 8.152 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.580 -17.790 9.850 1.00 0.01 H new ATOM 0 HD3 PRO A 63 19.255 -18.073 10.284 1.00 0.01 H new ATOM 953 N LYS A 64 17.935 -14.519 7.045 1.00 0.01 N ATOM 954 CA LYS A 64 17.380 -13.326 6.349 1.00 0.01 C ATOM 955 C LYS A 64 17.019 -12.228 7.354 1.00 0.00 C ATOM 956 O LYS A 64 16.931 -11.070 6.999 1.00 0.00 O ATOM 957 CB LYS A 64 16.141 -13.727 5.555 1.00 0.00 C ATOM 958 CG LYS A 64 15.055 -14.213 6.520 1.00 0.01 C ATOM 959 CD LYS A 64 13.905 -14.893 5.747 1.00 0.01 C ATOM 960 CE LYS A 64 12.871 -13.852 5.297 1.00 0.01 C ATOM 961 NZ LYS A 64 13.496 -12.895 4.343 1.00 0.00 N ATOM 0 H LYS A 64 17.317 -15.330 7.084 1.00 0.01 H new ATOM 0 HA LYS A 64 18.139 -12.935 5.671 1.00 0.01 H new ATOM 0 HB2 LYS A 64 15.776 -12.879 4.976 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.390 -14.514 4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.484 -14.915 7.235 1.00 0.01 H new ATOM 0 HG3 LYS A 64 14.667 -13.371 7.093 1.00 0.01 H new ATOM 0 HD2 LYS A 64 14.303 -15.418 4.879 1.00 0.01 H new ATOM 0 HD3 LYS A 64 13.426 -15.640 6.379 1.00 0.01 H new ATOM 0 HE2 LYS A 64 12.024 -14.349 4.824 1.00 0.01 H new ATOM 0 HE3 LYS A 64 12.483 -13.315 6.162 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 12.756 -12.312 3.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.162 -12.281 4.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.007 -13.423 3.607 1.00 0.00 H new ATOM 975 N ALA A 65 16.822 -12.559 8.603 1.00 0.00 N ATOM 976 CA ALA A 65 16.486 -11.488 9.582 1.00 0.01 C ATOM 977 C ALA A 65 17.631 -10.480 9.584 1.00 0.01 C ATOM 978 O ALA A 65 17.421 -9.284 9.544 1.00 0.01 O ATOM 979 CB ALA A 65 16.320 -12.080 10.984 1.00 0.01 C ATOM 0 H ALA A 65 16.878 -13.505 8.981 1.00 0.00 H new ATOM 0 HA ALA A 65 15.549 -11.007 9.301 1.00 0.01 H new ATOM 0 HB1 ALA A 65 16.075 -11.285 11.688 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.517 -12.817 10.975 1.00 0.01 H new ATOM 0 HB3 ALA A 65 17.250 -12.560 11.289 1.00 0.01 H new ATOM 985 N LYS A 66 18.846 -10.957 9.607 1.00 0.01 N ATOM 986 CA LYS A 66 20.003 -10.027 9.585 1.00 0.00 C ATOM 987 C LYS A 66 19.951 -9.214 8.292 1.00 0.01 C ATOM 988 O LYS A 66 20.158 -8.020 8.290 1.00 0.01 O ATOM 989 CB LYS A 66 21.308 -10.826 9.622 1.00 0.01 C ATOM 990 CG LYS A 66 21.479 -11.471 10.997 1.00 0.01 C ATOM 991 CD LYS A 66 22.783 -12.268 11.029 1.00 0.01 C ATOM 992 CE LYS A 66 22.947 -12.909 12.405 1.00 0.00 C ATOM 993 NZ LYS A 66 23.024 -11.837 13.435 1.00 0.00 N ATOM 0 H LYS A 66 19.084 -11.948 9.640 1.00 0.01 H new ATOM 0 HA LYS A 66 19.961 -9.366 10.451 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.298 -11.594 8.848 1.00 0.01 H new ATOM 0 HB3 LYS A 66 22.153 -10.171 9.409 1.00 0.01 H new ATOM 0 HG2 LYS A 66 21.490 -10.704 11.771 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.635 -12.127 11.210 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.772 -13.036 10.256 1.00 0.01 H new ATOM 0 HD3 LYS A 66 23.628 -11.613 10.817 1.00 0.01 H new ATOM 0 HE2 LYS A 66 22.107 -13.572 12.614 1.00 0.00 H new ATOM 0 HE3 LYS A 66 23.849 -13.520 12.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 23.752 -12.081 14.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 23.270 -10.935 12.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 22.103 -11.745 13.910 1.00 0.00 H new ATOM 1007 N LYS A 67 19.676 -9.859 7.189 1.00 0.00 N ATOM 1008 CA LYS A 67 19.616 -9.128 5.892 1.00 0.00 C ATOM 1009 C LYS A 67 18.517 -8.066 5.949 1.00 0.01 C ATOM 1010 O LYS A 67 18.727 -6.924 5.590 1.00 0.01 O ATOM 1011 CB LYS A 67 19.308 -10.119 4.770 1.00 0.00 C ATOM 1012 CG LYS A 67 20.520 -11.025 4.551 1.00 0.01 C ATOM 1013 CD LYS A 67 20.216 -12.019 3.431 1.00 0.00 C ATOM 1014 CE LYS A 67 21.427 -12.926 3.212 1.00 0.00 C ATOM 1015 NZ LYS A 67 22.569 -12.112 2.712 1.00 0.01 N ATOM 0 H LYS A 67 19.491 -10.860 7.132 1.00 0.00 H new ATOM 0 HA LYS A 67 20.574 -8.644 5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.434 -10.717 5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 67 19.069 -9.583 3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.394 -10.426 4.293 1.00 0.01 H new ATOM 0 HG3 LYS A 67 20.760 -11.559 5.471 1.00 0.01 H new ATOM 0 HD2 LYS A 67 19.342 -12.617 3.689 1.00 0.00 H new ATOM 0 HD3 LYS A 67 19.977 -11.485 2.511 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.699 -13.420 4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 67 21.183 -13.710 2.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 22.963 -12.555 1.857 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 22.238 -11.153 2.484 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 23.305 -12.059 3.445 1.00 0.01 H new ATOM 1029 N ILE A 68 17.346 -8.430 6.397 1.00 0.01 N ATOM 1030 CA ILE A 68 16.243 -7.434 6.475 1.00 0.00 C ATOM 1031 C ILE A 68 16.573 -6.391 7.541 1.00 0.01 C ATOM 1032 O ILE A 68 16.458 -5.201 7.323 1.00 0.00 O ATOM 1033 CB ILE A 68 14.935 -8.139 6.846 1.00 0.01 C ATOM 1034 CG1 ILE A 68 14.603 -9.184 5.780 1.00 0.00 C ATOM 1035 CG2 ILE A 68 13.805 -7.109 6.922 1.00 0.00 C ATOM 1036 CD1 ILE A 68 13.442 -10.060 6.258 1.00 0.00 C ATOM 0 H ILE A 68 17.107 -9.371 6.711 1.00 0.01 H new ATOM 0 HA ILE A 68 16.130 -6.947 5.507 1.00 0.00 H new ATOM 0 HB ILE A 68 15.045 -8.628 7.814 1.00 0.01 H new ATOM 0 HG12 ILE A 68 14.338 -8.691 4.845 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.478 -9.802 5.578 1.00 0.00 H new ATOM 0 HG21 ILE A 68 12.873 -7.610 7.186 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.043 -6.363 7.680 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.693 -6.620 5.954 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.209 -10.803 5.495 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.723 -10.565 7.182 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.566 -9.437 6.437 1.00 0.00 H new ATOM 1048 N TYR A 69 16.978 -6.838 8.696 1.00 0.00 N ATOM 1049 CA TYR A 69 17.317 -5.892 9.792 1.00 0.01 C ATOM 1050 C TYR A 69 18.457 -4.971 9.355 1.00 0.00 C ATOM 1051 O TYR A 69 18.390 -3.766 9.496 1.00 0.01 O ATOM 1052 CB TYR A 69 17.765 -6.691 11.012 1.00 0.01 C ATOM 1053 CG TYR A 69 18.104 -5.745 12.135 1.00 0.01 C ATOM 1054 CD1 TYR A 69 19.379 -5.177 12.207 1.00 0.01 C ATOM 1055 CD2 TYR A 69 17.142 -5.436 13.106 1.00 0.00 C ATOM 1056 CE1 TYR A 69 19.696 -4.297 13.247 1.00 0.01 C ATOM 1057 CE2 TYR A 69 17.458 -4.556 14.147 1.00 0.01 C ATOM 1058 CZ TYR A 69 18.736 -3.986 14.217 1.00 0.01 C ATOM 1059 OH TYR A 69 19.048 -3.118 15.241 1.00 0.01 O ATOM 0 H TYR A 69 17.089 -7.825 8.928 1.00 0.00 H new ATOM 0 HA TYR A 69 16.441 -5.290 10.033 1.00 0.01 H new ATOM 0 HB2 TYR A 69 16.974 -7.374 11.323 1.00 0.01 H new ATOM 0 HB3 TYR A 69 18.633 -7.301 10.762 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.120 -5.418 11.459 1.00 0.01 H new ATOM 0 HD2 TYR A 69 16.158 -5.877 13.051 1.00 0.00 H new ATOM 0 HE1 TYR A 69 20.681 -3.858 13.302 1.00 0.01 H new ATOM 0 HE2 TYR A 69 16.718 -4.316 14.896 1.00 0.01 H new ATOM 0 HH TYR A 69 18.240 -2.641 15.523 1.00 0.01 H new ATOM 1069 N ASN A 70 19.510 -5.542 8.843 1.00 0.01 N ATOM 1070 CA ASN A 70 20.680 -4.727 8.410 1.00 0.00 C ATOM 1071 C ASN A 70 20.291 -3.815 7.246 1.00 0.00 C ATOM 1072 O ASN A 70 20.728 -2.687 7.154 1.00 0.01 O ATOM 1073 CB ASN A 70 21.806 -5.659 7.960 1.00 0.00 C ATOM 1074 CG ASN A 70 22.383 -6.383 9.178 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.430 -5.835 10.261 1.00 0.01 O ATOM 1076 ND2 ASN A 70 22.815 -7.608 9.047 1.00 0.01 N ATOM 0 H ASN A 70 19.612 -6.547 8.704 1.00 0.01 H new ATOM 0 HA ASN A 70 21.012 -4.114 9.248 1.00 0.00 H new ATOM 0 HB2 ASN A 70 21.427 -6.383 7.238 1.00 0.00 H new ATOM 0 HB3 ASN A 70 22.587 -5.088 7.459 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.192 -8.105 9.854 1.00 0.01 H new ATOM 0 HD22 ASN A 70 22.776 -8.068 8.138 1.00 0.01 H new ATOM 1083 N GLU A 71 19.508 -4.314 6.340 1.00 0.00 N ATOM 1084 CA GLU A 71 19.126 -3.504 5.151 1.00 0.00 C ATOM 1085 C GLU A 71 18.104 -2.404 5.492 1.00 0.00 C ATOM 1086 O GLU A 71 18.045 -1.406 4.801 1.00 0.00 O ATOM 1087 CB GLU A 71 18.531 -4.437 4.090 1.00 0.00 C ATOM 1088 CG GLU A 71 18.189 -3.641 2.829 1.00 0.00 C ATOM 1089 CD GLU A 71 17.610 -4.586 1.779 1.00 0.00 C ATOM 1090 OE1 GLU A 71 17.666 -5.785 1.996 1.00 0.00 O ATOM 1091 OE2 GLU A 71 17.119 -4.095 0.778 1.00 0.00 O ATOM 0 H GLU A 71 19.112 -5.253 6.369 1.00 0.00 H new ATOM 0 HA GLU A 71 20.024 -3.009 4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 71 19.241 -5.228 3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.635 -4.920 4.480 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.471 -2.856 3.064 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.082 -3.151 2.441 1.00 0.00 H new ATOM 1098 N PHE A 72 17.270 -2.573 6.500 1.00 0.00 N ATOM 1099 CA PHE A 72 16.233 -1.513 6.791 1.00 0.00 C ATOM 1100 C PHE A 72 16.192 -1.087 8.265 1.00 0.00 C ATOM 1101 O PHE A 72 15.681 -0.028 8.572 1.00 0.00 O ATOM 1102 CB PHE A 72 14.854 -2.068 6.432 1.00 0.00 C ATOM 1103 CG PHE A 72 14.774 -2.333 4.950 1.00 0.00 C ATOM 1104 CD1 PHE A 72 14.415 -1.301 4.078 1.00 0.00 C ATOM 1105 CD2 PHE A 72 15.050 -3.611 4.450 1.00 0.00 C ATOM 1106 CE1 PHE A 72 14.332 -1.545 2.702 1.00 0.00 C ATOM 1107 CE2 PHE A 72 14.967 -3.855 3.075 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.608 -2.822 2.201 1.00 0.00 C ATOM 0 H PHE A 72 17.259 -3.380 7.123 1.00 0.00 H new ATOM 0 HA PHE A 72 16.502 -0.639 6.199 1.00 0.00 H new ATOM 0 HB2 PHE A 72 14.668 -2.989 6.985 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.080 -1.359 6.725 1.00 0.00 H new ATOM 0 HD1 PHE A 72 14.202 -0.316 4.466 1.00 0.00 H new ATOM 0 HD2 PHE A 72 15.327 -4.408 5.125 1.00 0.00 H new ATOM 0 HE1 PHE A 72 14.055 -0.748 2.028 1.00 0.00 H new ATOM 0 HE2 PHE A 72 15.180 -4.840 2.688 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.544 -3.011 1.140 1.00 0.00 H new ATOM 1118 N ILE A 73 16.673 -1.884 9.188 1.00 0.00 N ATOM 1119 CA ILE A 73 16.584 -1.484 10.638 1.00 0.00 C ATOM 1120 C ILE A 73 17.928 -0.997 11.185 1.00 0.00 C ATOM 1121 O ILE A 73 17.969 -0.117 12.020 1.00 0.01 O ATOM 1122 CB ILE A 73 16.114 -2.684 11.458 1.00 0.00 C ATOM 1123 CG1 ILE A 73 14.784 -3.218 10.889 1.00 0.00 C ATOM 1124 CG2 ILE A 73 15.925 -2.260 12.919 1.00 0.00 C ATOM 1125 CD1 ILE A 73 13.711 -2.121 10.866 1.00 0.00 C ATOM 0 H ILE A 73 17.119 -2.784 9.009 1.00 0.00 H new ATOM 0 HA ILE A 73 15.876 -0.659 10.715 1.00 0.00 H new ATOM 0 HB ILE A 73 16.863 -3.474 11.406 1.00 0.00 H new ATOM 0 HG12 ILE A 73 14.943 -3.596 9.879 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.438 -4.057 11.493 1.00 0.00 H new ATOM 0 HG21 ILE A 73 15.590 -3.115 13.506 1.00 0.00 H new ATOM 0 HG22 ILE A 73 16.872 -1.896 13.317 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.179 -1.467 12.974 1.00 0.00 H new ATOM 0 HD11 ILE A 73 12.784 -2.527 10.460 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.536 -1.762 11.880 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.049 -1.294 10.242 1.00 0.00 H new ATOM 1137 N SER A 74 19.025 -1.546 10.751 1.00 0.01 N ATOM 1138 CA SER A 74 20.324 -1.068 11.305 1.00 0.00 C ATOM 1139 C SER A 74 20.479 0.422 11.020 1.00 0.00 C ATOM 1140 O SER A 74 20.286 0.877 9.912 1.00 0.01 O ATOM 1141 CB SER A 74 21.488 -1.825 10.675 1.00 0.00 C ATOM 1142 OG SER A 74 21.343 -1.822 9.261 1.00 0.01 O ATOM 0 H SER A 74 19.083 -2.288 10.053 1.00 0.01 H new ATOM 0 HA SER A 74 20.331 -1.245 12.380 1.00 0.00 H new ATOM 0 HB2 SER A 74 22.433 -1.360 10.956 1.00 0.00 H new ATOM 0 HB3 SER A 74 21.514 -2.849 11.047 1.00 0.00 H new ATOM 0 HG SER A 74 21.002 -0.951 8.969 1.00 0.01 H new ATOM 1148 N VAL A 75 20.834 1.183 12.015 1.00 0.01 N ATOM 1149 CA VAL A 75 21.010 2.645 11.815 1.00 0.01 C ATOM 1150 C VAL A 75 22.007 2.875 10.681 1.00 0.00 C ATOM 1151 O VAL A 75 22.185 3.979 10.207 1.00 0.00 O ATOM 1152 CB VAL A 75 21.545 3.260 13.107 1.00 0.00 C ATOM 1153 CG1 VAL A 75 20.563 2.967 14.246 1.00 0.01 C ATOM 1154 CG2 VAL A 75 22.913 2.643 13.429 1.00 0.00 C ATOM 0 H VAL A 75 21.011 0.852 12.964 1.00 0.01 H new ATOM 0 HA VAL A 75 20.057 3.109 11.559 1.00 0.01 H new ATOM 0 HB VAL A 75 21.653 4.338 12.991 1.00 0.00 H new ATOM 0 HG11 VAL A 75 20.939 3.403 15.172 1.00 0.01 H new ATOM 0 HG12 VAL A 75 19.591 3.400 14.009 1.00 0.01 H new ATOM 0 HG13 VAL A 75 20.459 1.889 14.369 1.00 0.01 H new ATOM 0 HG21 VAL A 75 23.300 3.078 14.350 1.00 0.00 H new ATOM 0 HG22 VAL A 75 22.806 1.565 13.553 1.00 0.00 H new ATOM 0 HG23 VAL A 75 23.605 2.847 12.612 1.00 0.00 H new ATOM 1164 N GLN A 76 22.661 1.832 10.243 1.00 0.01 N ATOM 1165 CA GLN A 76 23.654 1.970 9.137 1.00 0.01 C ATOM 1166 C GLN A 76 22.986 1.609 7.809 1.00 0.01 C ATOM 1167 O GLN A 76 23.591 1.687 6.757 1.00 0.01 O ATOM 1168 CB GLN A 76 24.817 1.012 9.394 1.00 0.00 C ATOM 1169 CG GLN A 76 25.619 1.501 10.602 1.00 0.01 C ATOM 1170 CD GLN A 76 26.704 0.479 10.940 1.00 0.01 C ATOM 1171 OE1 GLN A 76 26.575 -0.688 10.627 1.00 0.01 O ATOM 1172 NE2 GLN A 76 27.776 0.869 11.571 1.00 0.01 N ATOM 0 H GLN A 76 22.550 0.885 10.606 1.00 0.01 H new ATOM 0 HA GLN A 76 24.020 2.996 9.093 1.00 0.01 H new ATOM 0 HB2 GLN A 76 24.440 0.006 9.577 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.459 0.957 8.515 1.00 0.00 H new ATOM 0 HG2 GLN A 76 26.071 2.469 10.384 1.00 0.01 H new ATOM 0 HG3 GLN A 76 24.959 1.643 11.457 1.00 0.01 H new ATOM 0 HE21 GLN A 76 27.885 1.848 11.834 1.00 0.01 H new ATOM 0 HE22 GLN A 76 28.506 0.195 11.802 1.00 0.01 H new ATOM 1181 N ALA A 77 21.740 1.219 7.849 1.00 0.01 N ATOM 1182 CA ALA A 77 21.024 0.854 6.593 1.00 0.00 C ATOM 1183 C ALA A 77 21.149 1.998 5.584 1.00 0.01 C ATOM 1184 O ALA A 77 21.091 3.160 5.938 1.00 0.00 O ATOM 1185 CB ALA A 77 19.547 0.602 6.901 1.00 0.00 C ATOM 0 H ALA A 77 21.185 1.137 8.701 1.00 0.01 H new ATOM 0 HA ALA A 77 21.465 -0.050 6.173 1.00 0.00 H new ATOM 0 HB1 ALA A 77 19.024 0.335 5.983 1.00 0.00 H new ATOM 0 HB2 ALA A 77 19.459 -0.214 7.619 1.00 0.00 H new ATOM 0 HB3 ALA A 77 19.104 1.505 7.322 1.00 0.00 H new ATOM 1191 N THR A 78 21.319 1.680 4.330 1.00 0.01 N ATOM 1192 CA THR A 78 21.447 2.751 3.302 1.00 0.01 C ATOM 1193 C THR A 78 20.099 3.448 3.120 1.00 0.01 C ATOM 1194 O THR A 78 20.025 4.556 2.628 1.00 0.00 O ATOM 1195 CB THR A 78 21.877 2.128 1.972 1.00 0.00 C ATOM 1196 OG1 THR A 78 20.826 1.315 1.469 1.00 0.01 O ATOM 1197 CG2 THR A 78 23.126 1.273 2.185 1.00 0.01 C ATOM 0 H THR A 78 21.375 0.726 3.973 1.00 0.01 H new ATOM 0 HA THR A 78 22.192 3.478 3.626 1.00 0.01 H new ATOM 0 HB THR A 78 22.100 2.920 1.257 1.00 0.00 H new ATOM 0 HG1 THR A 78 21.100 0.917 0.616 1.00 0.01 H new ATOM 0 HG21 THR A 78 23.430 0.830 1.236 1.00 0.01 H new ATOM 0 HG22 THR A 78 23.933 1.897 2.570 1.00 0.01 H new ATOM 0 HG23 THR A 78 22.907 0.481 2.901 1.00 0.01 H new ATOM 1205 N LYS A 79 19.032 2.807 3.518 1.00 0.00 N ATOM 1206 CA LYS A 79 17.679 3.418 3.377 1.00 0.00 C ATOM 1207 C LYS A 79 16.880 3.157 4.651 1.00 0.00 C ATOM 1208 O LYS A 79 16.166 2.181 4.767 1.00 0.00 O ATOM 1209 CB LYS A 79 16.966 2.805 2.162 1.00 0.00 C ATOM 1210 CG LYS A 79 17.240 1.299 2.085 1.00 0.00 C ATOM 1211 CD LYS A 79 16.536 0.719 0.853 1.00 0.01 C ATOM 1212 CE LYS A 79 16.891 -0.760 0.707 1.00 0.00 C ATOM 1213 NZ LYS A 79 18.340 -0.893 0.386 1.00 0.00 N ATOM 0 H LYS A 79 19.041 1.878 3.939 1.00 0.00 H new ATOM 0 HA LYS A 79 17.767 4.494 3.225 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.893 2.983 2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.309 3.291 1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.313 1.115 2.025 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.882 0.806 2.989 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.457 0.836 0.950 1.00 0.01 H new ATOM 0 HD3 LYS A 79 16.837 1.265 -0.041 1.00 0.01 H new ATOM 0 HE2 LYS A 79 16.661 -1.293 1.630 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.290 -1.213 -0.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.454 -1.475 -0.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.747 0.050 0.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.832 -1.346 1.182 1.00 0.00 H new ATOM 1227 N GLU A 80 17.005 4.030 5.609 1.00 0.00 N ATOM 1228 CA GLU A 80 16.265 3.850 6.888 1.00 0.00 C ATOM 1229 C GLU A 80 14.765 3.925 6.639 1.00 0.00 C ATOM 1230 O GLU A 80 14.304 4.557 5.710 1.00 0.00 O ATOM 1231 CB GLU A 80 16.662 4.949 7.881 1.00 0.00 C ATOM 1232 CG GLU A 80 18.039 4.640 8.463 1.00 0.00 C ATOM 1233 CD GLU A 80 17.935 3.429 9.389 1.00 0.01 C ATOM 1234 OE1 GLU A 80 16.862 3.213 9.929 1.00 0.01 O ATOM 1235 OE2 GLU A 80 18.925 2.739 9.540 1.00 0.00 O ATOM 0 H GLU A 80 17.590 4.864 5.562 1.00 0.00 H new ATOM 0 HA GLU A 80 16.517 2.873 7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.676 5.917 7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.924 5.014 8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.749 4.439 7.661 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.416 5.502 9.013 1.00 0.00 H new ATOM 1242 N VAL A 81 14.004 3.282 7.482 1.00 0.00 N ATOM 1243 CA VAL A 81 12.515 3.292 7.344 1.00 0.00 C ATOM 1244 C VAL A 81 11.920 4.022 8.545 1.00 0.00 C ATOM 1245 O VAL A 81 12.460 3.985 9.633 1.00 0.00 O ATOM 1246 CB VAL A 81 12.004 1.852 7.313 1.00 0.00 C ATOM 1247 CG1 VAL A 81 12.494 1.174 6.036 1.00 0.00 C ATOM 1248 CG2 VAL A 81 12.546 1.096 8.525 1.00 0.00 C ATOM 0 H VAL A 81 14.354 2.741 8.273 1.00 0.00 H new ATOM 0 HA VAL A 81 12.224 3.797 6.423 1.00 0.00 H new ATOM 0 HB VAL A 81 10.914 1.848 7.338 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.133 0.146 6.008 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.116 1.715 5.169 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.584 1.176 6.018 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.183 0.068 8.505 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.636 1.096 8.497 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.207 1.583 9.439 1.00 0.00 H new ATOM 1258 N ASN A 82 10.819 4.694 8.363 1.00 0.00 N ATOM 1259 CA ASN A 82 10.211 5.427 9.504 1.00 0.00 C ATOM 1260 C ASN A 82 9.542 4.428 10.453 1.00 0.00 C ATOM 1261 O ASN A 82 8.527 3.841 10.141 1.00 0.00 O ATOM 1262 CB ASN A 82 9.169 6.414 8.969 1.00 0.00 C ATOM 1263 CG ASN A 82 8.375 5.750 7.847 1.00 0.00 C ATOM 1264 OD1 ASN A 82 8.175 4.552 7.853 1.00 0.00 O ATOM 1265 ND2 ASN A 82 7.909 6.485 6.875 1.00 0.00 N ATOM 0 H ASN A 82 10.317 4.767 7.478 1.00 0.00 H new ATOM 0 HA ASN A 82 10.983 5.973 10.046 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.499 6.723 9.771 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.660 7.314 8.599 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.376 6.054 6.120 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.077 7.491 6.871 1.00 0.00 H new ATOM 1272 N LEU A 83 10.109 4.242 11.615 1.00 0.00 N ATOM 1273 CA LEU A 83 9.526 3.290 12.610 1.00 0.00 C ATOM 1274 C LEU A 83 9.743 3.856 14.013 1.00 0.00 C ATOM 1275 O LEU A 83 10.532 4.758 14.211 1.00 0.00 O ATOM 1276 CB LEU A 83 10.220 1.924 12.506 1.00 0.01 C ATOM 1277 CG LEU A 83 9.845 1.226 11.192 1.00 0.00 C ATOM 1278 CD1 LEU A 83 10.671 -0.059 11.059 1.00 0.00 C ATOM 1279 CD2 LEU A 83 8.343 0.874 11.177 1.00 0.00 C ATOM 0 H LEU A 83 10.960 4.713 11.922 1.00 0.00 H new ATOM 0 HA LEU A 83 8.462 3.163 12.410 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.301 2.054 12.559 1.00 0.01 H new ATOM 0 HB3 LEU A 83 9.932 1.299 13.351 1.00 0.01 H new ATOM 0 HG LEU A 83 10.054 1.897 10.358 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.412 -0.563 10.128 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.732 0.190 11.054 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.457 -0.718 11.900 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.095 0.380 10.238 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.117 0.207 12.009 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.754 1.786 11.274 1.00 0.00 H new ATOM 1291 N ASP A 84 9.050 3.340 14.988 1.00 0.01 N ATOM 1292 CA ASP A 84 9.223 3.859 16.372 1.00 0.00 C ATOM 1293 C ASP A 84 10.602 3.447 16.891 1.00 0.00 C ATOM 1294 O ASP A 84 11.219 2.531 16.383 1.00 0.00 O ATOM 1295 CB ASP A 84 8.135 3.280 17.278 1.00 0.00 C ATOM 1296 CG ASP A 84 8.094 4.056 18.597 1.00 0.01 C ATOM 1297 OD1 ASP A 84 8.987 4.857 18.818 1.00 0.01 O ATOM 1298 OD2 ASP A 84 7.173 3.832 19.364 1.00 0.00 O ATOM 0 H ASP A 84 8.373 2.584 14.887 1.00 0.01 H new ATOM 0 HA ASP A 84 9.142 4.946 16.370 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.166 3.337 16.781 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.332 2.226 17.471 1.00 0.00 H new ATOM 1303 N SER A 85 11.095 4.124 17.889 1.00 0.00 N ATOM 1304 CA SER A 85 12.440 3.789 18.435 1.00 0.01 C ATOM 1305 C SER A 85 12.407 2.416 19.111 1.00 0.01 C ATOM 1306 O SER A 85 13.384 1.696 19.106 1.00 0.00 O ATOM 1307 CB SER A 85 12.858 4.851 19.454 1.00 0.01 C ATOM 1308 OG SER A 85 13.018 6.098 18.790 1.00 0.00 O ATOM 0 H SER A 85 10.622 4.899 18.353 1.00 0.00 H new ATOM 0 HA SER A 85 13.159 3.765 17.616 1.00 0.01 H new ATOM 0 HB2 SER A 85 12.105 4.937 20.238 1.00 0.01 H new ATOM 0 HB3 SER A 85 13.790 4.561 19.938 1.00 0.01 H new ATOM 0 HG SER A 85 13.284 6.782 19.439 1.00 0.00 H new ATOM 1314 N CYS A 86 11.302 2.046 19.699 1.00 0.01 N ATOM 1315 CA CYS A 86 11.237 0.719 20.377 1.00 0.01 C ATOM 1316 C CYS A 86 10.982 -0.378 19.338 1.00 0.00 C ATOM 1317 O CYS A 86 11.437 -1.497 19.479 1.00 0.01 O ATOM 1318 CB CYS A 86 10.101 0.727 21.404 1.00 0.01 C ATOM 1319 SG CYS A 86 10.324 2.120 22.539 1.00 0.01 S ATOM 0 H CYS A 86 10.447 2.600 19.740 1.00 0.01 H new ATOM 0 HA CYS A 86 12.183 0.523 20.882 1.00 0.01 H new ATOM 0 HB2 CYS A 86 9.139 0.807 20.898 1.00 0.01 H new ATOM 0 HB3 CYS A 86 10.092 -0.211 21.959 1.00 0.01 H new ATOM 0 HG CYS A 86 9.359 2.129 23.410 1.00 0.01 H new ATOM 1325 N THR A 87 10.274 -0.065 18.289 1.00 0.00 N ATOM 1326 CA THR A 87 10.010 -1.091 17.242 1.00 0.00 C ATOM 1327 C THR A 87 11.337 -1.578 16.662 1.00 0.00 C ATOM 1328 O THR A 87 11.575 -2.763 16.536 1.00 0.01 O ATOM 1329 CB THR A 87 9.167 -0.471 16.127 1.00 0.00 C ATOM 1330 OG1 THR A 87 7.932 -0.027 16.666 1.00 0.00 O ATOM 1331 CG2 THR A 87 8.912 -1.508 15.033 1.00 0.00 C ATOM 0 H THR A 87 9.868 0.854 18.112 1.00 0.00 H new ATOM 0 HA THR A 87 9.474 -1.932 17.682 1.00 0.00 H new ATOM 0 HB THR A 87 9.701 0.375 15.695 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.384 -0.802 16.909 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.311 -1.061 14.241 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.864 -1.844 14.621 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.379 -2.360 15.456 1.00 0.00 H new ATOM 1339 N ARG A 88 12.209 -0.671 16.314 1.00 0.01 N ATOM 1340 CA ARG A 88 13.523 -1.086 15.749 1.00 0.00 C ATOM 1341 C ARG A 88 14.261 -1.918 16.798 1.00 0.00 C ATOM 1342 O ARG A 88 14.820 -2.956 16.508 1.00 0.01 O ATOM 1343 CB ARG A 88 14.340 0.162 15.415 1.00 0.00 C ATOM 1344 CG ARG A 88 13.668 0.910 14.263 1.00 0.00 C ATOM 1345 CD ARG A 88 14.477 2.162 13.927 1.00 0.00 C ATOM 1346 NE ARG A 88 15.817 1.764 13.421 1.00 0.01 N ATOM 1347 CZ ARG A 88 16.561 2.633 12.799 1.00 0.00 C ATOM 1348 NH1 ARG A 88 16.137 3.855 12.632 1.00 0.00 N ATOM 1349 NH2 ARG A 88 17.729 2.280 12.339 1.00 0.01 N ATOM 0 H ARG A 88 12.068 0.336 16.396 1.00 0.01 H new ATOM 0 HA ARG A 88 13.379 -1.675 14.843 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.414 0.808 16.290 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.357 -0.118 15.139 1.00 0.00 H new ATOM 0 HG2 ARG A 88 13.598 0.264 13.388 1.00 0.00 H new ATOM 0 HG3 ARG A 88 12.650 1.185 14.539 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.954 2.755 13.177 1.00 0.00 H new ATOM 0 HD3 ARG A 88 14.582 2.789 14.813 1.00 0.00 H new ATOM 0 HE ARG A 88 16.153 0.811 13.561 1.00 0.01 H new ATOM 0 HH11 ARG A 88 15.222 4.131 12.989 1.00 0.00 H new ATOM 0 HH12 ARG A 88 16.720 4.535 12.145 1.00 0.00 H new ATOM 0 HH21 ARG A 88 18.059 1.323 12.466 1.00 0.01 H new ATOM 0 HH22 ARG A 88 18.312 2.960 11.852 1.00 0.01 H new ATOM 1363 N GLU A 89 14.247 -1.468 18.022 1.00 0.01 N ATOM 1364 CA GLU A 89 14.921 -2.227 19.110 1.00 0.01 C ATOM 1365 C GLU A 89 14.288 -3.611 19.222 1.00 0.01 C ATOM 1366 O GLU A 89 14.958 -4.602 19.432 1.00 0.00 O ATOM 1367 CB GLU A 89 14.757 -1.481 20.434 1.00 0.01 C ATOM 1368 CG GLU A 89 15.595 -0.202 20.405 1.00 0.01 C ATOM 1369 CD GLU A 89 15.399 0.565 21.713 1.00 0.01 C ATOM 1370 OE1 GLU A 89 14.641 0.093 22.545 1.00 0.01 O ATOM 1371 OE2 GLU A 89 16.009 1.612 21.860 1.00 0.01 O ATOM 0 H GLU A 89 13.795 -0.602 18.316 1.00 0.01 H new ATOM 0 HA GLU A 89 15.982 -2.326 18.883 1.00 0.01 H new ATOM 0 HB2 GLU A 89 13.707 -1.237 20.599 1.00 0.01 H new ATOM 0 HB3 GLU A 89 15.071 -2.116 21.263 1.00 0.01 H new ATOM 0 HG2 GLU A 89 16.648 -0.448 20.269 1.00 0.01 H new ATOM 0 HG3 GLU A 89 15.301 0.419 19.559 1.00 0.01 H new ATOM 1378 N GLU A 90 12.994 -3.683 19.091 1.00 0.00 N ATOM 1379 CA GLU A 90 12.306 -4.999 19.198 1.00 0.01 C ATOM 1380 C GLU A 90 12.859 -5.953 18.143 1.00 0.01 C ATOM 1381 O GLU A 90 13.177 -7.088 18.434 1.00 0.01 O ATOM 1382 CB GLU A 90 10.799 -4.801 18.982 1.00 0.01 C ATOM 1383 CG GLU A 90 10.067 -6.151 19.034 1.00 0.00 C ATOM 1384 CD GLU A 90 10.300 -6.826 20.387 1.00 0.01 C ATOM 1385 OE1 GLU A 90 10.553 -6.116 21.346 1.00 0.01 O ATOM 1386 OE2 GLU A 90 10.221 -8.042 20.439 1.00 0.00 O ATOM 0 H GLU A 90 12.382 -2.886 18.914 1.00 0.00 H new ATOM 0 HA GLU A 90 12.478 -5.423 20.187 1.00 0.01 H new ATOM 0 HB2 GLU A 90 10.400 -4.135 19.747 1.00 0.01 H new ATOM 0 HB3 GLU A 90 10.623 -4.322 18.019 1.00 0.01 H new ATOM 0 HG2 GLU A 90 8.999 -6.001 18.873 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.422 -6.797 18.231 1.00 0.00 H new ATOM 1393 N THR A 91 12.981 -5.515 16.923 1.00 0.01 N ATOM 1394 CA THR A 91 13.517 -6.427 15.880 1.00 0.01 C ATOM 1395 C THR A 91 14.945 -6.825 16.256 1.00 0.01 C ATOM 1396 O THR A 91 15.336 -7.958 16.095 1.00 0.01 O ATOM 1397 CB THR A 91 13.522 -5.726 14.517 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.290 -5.041 14.334 1.00 0.00 O ATOM 1399 CG2 THR A 91 13.688 -6.768 13.407 1.00 0.01 C ATOM 0 H THR A 91 12.736 -4.577 16.606 1.00 0.01 H new ATOM 0 HA THR A 91 12.887 -7.314 15.816 1.00 0.01 H new ATOM 0 HB THR A 91 14.347 -5.015 14.478 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.292 -4.591 13.464 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.692 -6.270 12.438 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.629 -7.300 13.545 1.00 0.01 H new ATOM 0 HG23 THR A 91 12.861 -7.477 13.447 1.00 0.01 H new ATOM 1407 N SER A 92 15.719 -5.897 16.764 1.00 0.01 N ATOM 1408 CA SER A 92 17.126 -6.218 17.154 1.00 0.01 C ATOM 1409 C SER A 92 17.130 -7.312 18.226 1.00 0.01 C ATOM 1410 O SER A 92 17.941 -8.217 18.205 1.00 0.00 O ATOM 1411 CB SER A 92 17.801 -4.965 17.715 1.00 0.01 C ATOM 1412 OG SER A 92 17.274 -4.678 19.003 1.00 0.01 O ATOM 0 H SER A 92 15.436 -4.930 16.925 1.00 0.01 H new ATOM 0 HA SER A 92 17.668 -6.567 16.275 1.00 0.01 H new ATOM 0 HB2 SER A 92 18.879 -5.117 17.777 1.00 0.01 H new ATOM 0 HB3 SER A 92 17.636 -4.120 17.046 1.00 0.01 H new ATOM 0 HG SER A 92 16.296 -4.726 18.974 1.00 0.01 H new ATOM 1418 N ARG A 93 16.231 -7.232 19.165 1.00 0.01 N ATOM 1419 CA ARG A 93 16.175 -8.261 20.242 1.00 0.01 C ATOM 1420 C ARG A 93 15.712 -9.602 19.660 1.00 0.01 C ATOM 1421 O ARG A 93 16.125 -10.658 20.099 1.00 0.01 O ATOM 1422 CB ARG A 93 15.202 -7.798 21.328 1.00 0.00 C ATOM 1423 CG ARG A 93 15.809 -6.610 22.079 1.00 0.01 C ATOM 1424 CD ARG A 93 14.845 -6.138 23.169 1.00 0.01 C ATOM 1425 NE ARG A 93 13.729 -5.370 22.542 1.00 0.00 N ATOM 1426 CZ ARG A 93 12.655 -5.095 23.231 1.00 0.01 C ATOM 1427 NH1 ARG A 93 12.554 -5.485 24.471 1.00 0.00 N ATOM 1428 NH2 ARG A 93 11.681 -4.428 22.677 1.00 0.01 N ATOM 0 H ARG A 93 15.529 -6.495 19.234 1.00 0.01 H new ATOM 0 HA ARG A 93 17.167 -8.392 20.674 1.00 0.01 H new ATOM 0 HB2 ARG A 93 14.250 -7.512 20.881 1.00 0.00 H new ATOM 0 HB3 ARG A 93 14.997 -8.614 22.021 1.00 0.00 H new ATOM 0 HG2 ARG A 93 16.762 -6.897 22.523 1.00 0.01 H new ATOM 0 HG3 ARG A 93 16.014 -5.795 21.384 1.00 0.01 H new ATOM 0 HD2 ARG A 93 14.450 -6.994 23.717 1.00 0.01 H new ATOM 0 HD3 ARG A 93 15.371 -5.513 23.890 1.00 0.01 H new ATOM 0 HE ARG A 93 13.806 -5.060 21.573 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.316 -6.006 24.905 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.714 -5.269 25.007 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.759 -4.122 21.707 1.00 0.01 H new ATOM 0 HH22 ARG A 93 10.841 -4.212 23.214 1.00 0.01 H new ATOM 1442 N ASN A 94 14.851 -9.567 18.682 1.00 0.01 N ATOM 1443 CA ASN A 94 14.347 -10.837 18.075 1.00 0.01 C ATOM 1444 C ASN A 94 15.474 -11.564 17.334 1.00 0.01 C ATOM 1445 O ASN A 94 15.391 -12.748 17.075 1.00 0.01 O ATOM 1446 CB ASN A 94 13.216 -10.513 17.096 1.00 0.01 C ATOM 1447 CG ASN A 94 11.988 -10.048 17.880 1.00 0.01 C ATOM 1448 OD1 ASN A 94 11.458 -8.985 17.626 1.00 0.00 O ATOM 1449 ND2 ASN A 94 11.509 -10.804 18.830 1.00 0.01 N ATOM 0 H ASN A 94 14.472 -8.713 18.274 1.00 0.01 H new ATOM 0 HA ASN A 94 13.978 -11.486 18.869 1.00 0.01 H new ATOM 0 HB2 ASN A 94 13.533 -9.736 16.400 1.00 0.01 H new ATOM 0 HB3 ASN A 94 12.971 -11.393 16.501 1.00 0.01 H new ATOM 0 HD21 ASN A 94 10.690 -10.502 19.358 1.00 0.01 H new ATOM 0 HD22 ASN A 94 11.953 -11.697 19.044 1.00 0.01 H new ATOM 1456 N MET A 95 16.522 -10.874 16.980 1.00 0.01 N ATOM 1457 CA MET A 95 17.639 -11.541 16.248 1.00 0.01 C ATOM 1458 C MET A 95 18.207 -12.666 17.109 1.00 0.01 C ATOM 1459 O MET A 95 18.525 -13.731 16.624 1.00 0.01 O ATOM 1460 CB MET A 95 18.731 -10.519 15.953 1.00 0.01 C ATOM 1461 CG MET A 95 18.084 -9.309 15.295 1.00 0.01 C ATOM 1462 SD MET A 95 19.353 -8.158 14.710 1.00 0.01 S ATOM 1463 CE MET A 95 19.420 -8.741 13.001 1.00 0.01 C ATOM 0 H MET A 95 16.655 -9.880 17.164 1.00 0.01 H new ATOM 0 HA MET A 95 17.268 -11.955 15.310 1.00 0.01 H new ATOM 0 HB2 MET A 95 19.237 -10.226 16.873 1.00 0.01 H new ATOM 0 HB3 MET A 95 19.487 -10.950 15.297 1.00 0.01 H new ATOM 0 HG2 MET A 95 17.462 -9.630 14.460 1.00 0.01 H new ATOM 0 HG3 MET A 95 17.428 -8.807 16.006 1.00 0.01 H new ATOM 0 HE1 MET A 95 20.017 -8.051 12.404 1.00 0.01 H new ATOM 0 HE2 MET A 95 19.874 -9.732 12.972 1.00 0.01 H new ATOM 0 HE3 MET A 95 18.410 -8.792 12.594 1.00 0.01 H new ATOM 1473 N LEU A 96 18.325 -12.438 18.388 1.00 0.01 N ATOM 1474 CA LEU A 96 18.856 -13.498 19.289 1.00 0.01 C ATOM 1475 C LEU A 96 17.845 -14.641 19.331 1.00 0.01 C ATOM 1476 O LEU A 96 18.190 -15.797 19.474 1.00 0.01 O ATOM 1477 CB LEU A 96 19.036 -12.927 20.699 1.00 0.01 C ATOM 1478 CG LEU A 96 20.249 -11.993 20.737 1.00 0.01 C ATOM 1479 CD1 LEU A 96 20.026 -10.802 19.794 1.00 0.01 C ATOM 1480 CD2 LEU A 96 20.447 -11.487 22.170 1.00 0.01 C ATOM 0 H LEU A 96 18.076 -11.562 18.848 1.00 0.01 H new ATOM 0 HA LEU A 96 19.818 -13.856 18.923 1.00 0.01 H new ATOM 0 HB2 LEU A 96 18.139 -12.384 20.997 1.00 0.01 H new ATOM 0 HB3 LEU A 96 19.169 -13.739 21.414 1.00 0.01 H new ATOM 0 HG LEU A 96 21.136 -12.537 20.412 1.00 0.01 H new ATOM 0 HD11 LEU A 96 20.894 -10.144 19.828 1.00 0.01 H new ATOM 0 HD12 LEU A 96 19.886 -11.165 18.776 1.00 0.01 H new ATOM 0 HD13 LEU A 96 19.140 -10.250 20.108 1.00 0.01 H new ATOM 0 HD21 LEU A 96 21.309 -10.821 22.205 1.00 0.01 H new ATOM 0 HD22 LEU A 96 19.557 -10.945 22.491 1.00 0.01 H new ATOM 0 HD23 LEU A 96 20.616 -12.334 22.835 1.00 0.01 H new ATOM 1492 N GLU A 97 16.588 -14.310 19.198 1.00 0.01 N ATOM 1493 CA GLU A 97 15.509 -15.340 19.219 1.00 0.01 C ATOM 1494 C GLU A 97 14.464 -14.963 18.158 1.00 0.01 C ATOM 1495 O GLU A 97 13.420 -14.435 18.479 1.00 0.01 O ATOM 1496 CB GLU A 97 14.849 -15.355 20.597 1.00 0.01 C ATOM 1497 CG GLU A 97 15.880 -15.759 21.652 1.00 0.01 C ATOM 1498 CD GLU A 97 15.186 -15.958 23.002 1.00 0.01 C ATOM 1499 OE1 GLU A 97 14.500 -16.957 23.152 1.00 0.01 O ATOM 1500 OE2 GLU A 97 15.351 -15.109 23.863 1.00 0.01 O ATOM 0 H GLU A 97 16.258 -13.353 19.074 1.00 0.01 H new ATOM 0 HA GLU A 97 15.923 -16.326 19.009 1.00 0.01 H new ATOM 0 HB2 GLU A 97 14.443 -14.370 20.828 1.00 0.01 H new ATOM 0 HB3 GLU A 97 14.013 -16.054 20.604 1.00 0.01 H new ATOM 0 HG2 GLU A 97 16.381 -16.679 21.351 1.00 0.01 H new ATOM 0 HG3 GLU A 97 16.648 -14.990 21.737 1.00 0.01 H new ATOM 1507 N PRO A 98 14.750 -15.210 16.898 1.00 0.01 N ATOM 1508 CA PRO A 98 13.801 -14.853 15.803 1.00 0.01 C ATOM 1509 C PRO A 98 12.424 -15.505 15.984 1.00 0.01 C ATOM 1510 O PRO A 98 12.317 -16.694 16.217 1.00 0.01 O ATOM 1511 CB PRO A 98 14.529 -15.384 14.552 1.00 0.00 C ATOM 1512 CG PRO A 98 15.976 -15.723 14.948 1.00 0.01 C ATOM 1513 CD PRO A 98 16.022 -15.862 16.477 1.00 0.01 C ATOM 0 HA PRO A 98 13.578 -13.787 15.760 1.00 0.01 H new ATOM 0 HB2 PRO A 98 14.023 -16.268 14.164 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.517 -14.637 13.759 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.296 -16.649 14.470 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.657 -14.940 14.615 1.00 0.01 H new ATOM 0 HD2 PRO A 98 16.066 -16.906 16.789 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.893 -15.365 16.904 1.00 0.01 H new ATOM 1521 N THR A 99 11.374 -14.731 15.875 1.00 0.01 N ATOM 1522 CA THR A 99 9.991 -15.282 16.034 1.00 0.01 C ATOM 1523 C THR A 99 9.139 -14.823 14.856 1.00 0.01 C ATOM 1524 O THR A 99 9.517 -13.937 14.119 1.00 0.01 O ATOM 1525 CB THR A 99 9.375 -14.757 17.334 1.00 0.00 C ATOM 1526 OG1 THR A 99 9.075 -13.376 17.186 1.00 0.01 O ATOM 1527 CG2 THR A 99 10.362 -14.943 18.489 1.00 0.00 C ATOM 0 H THR A 99 11.415 -13.731 15.681 1.00 0.01 H new ATOM 0 HA THR A 99 10.031 -16.371 16.066 1.00 0.01 H new ATOM 0 HB THR A 99 8.462 -15.311 17.551 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.141 -13.216 17.436 1.00 0.01 H new ATOM 0 HG21 THR A 99 9.918 -14.568 19.411 1.00 0.00 H new ATOM 0 HG22 THR A 99 10.594 -16.002 18.603 1.00 0.00 H new ATOM 0 HG23 THR A 99 11.278 -14.392 18.277 1.00 0.00 H new ATOM 1535 N ILE A 100 7.989 -15.410 14.678 1.00 0.00 N ATOM 1536 CA ILE A 100 7.110 -15.000 13.548 1.00 0.01 C ATOM 1537 C ILE A 100 6.515 -13.620 13.854 1.00 0.01 C ATOM 1538 O ILE A 100 6.060 -12.919 12.974 1.00 0.01 O ATOM 1539 CB ILE A 100 5.993 -16.038 13.365 1.00 0.00 C ATOM 1540 CG1 ILE A 100 5.234 -15.769 12.056 1.00 0.01 C ATOM 1541 CG2 ILE A 100 5.016 -15.955 14.541 1.00 0.01 C ATOM 1542 CD1 ILE A 100 6.123 -16.069 10.837 1.00 0.01 C ATOM 0 H ILE A 100 7.619 -16.157 15.267 1.00 0.00 H new ATOM 0 HA ILE A 100 7.687 -14.943 12.625 1.00 0.01 H new ATOM 0 HB ILE A 100 6.438 -17.032 13.326 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.336 -16.386 12.018 1.00 0.01 H new ATOM 0 HG13 ILE A 100 4.908 -14.729 12.027 1.00 0.01 H new ATOM 0 HG21 ILE A 100 4.224 -16.692 14.409 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.548 -16.156 15.471 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.579 -14.957 14.581 1.00 0.01 H new ATOM 0 HD11 ILE A 100 5.565 -15.871 9.922 1.00 0.01 H new ATOM 0 HD12 ILE A 100 7.008 -15.433 10.867 1.00 0.01 H new ATOM 0 HD13 ILE A 100 6.427 -17.115 10.857 1.00 0.01 H new ATOM 1554 N THR A 101 6.523 -13.224 15.103 1.00 0.00 N ATOM 1555 CA THR A 101 5.965 -11.887 15.475 1.00 0.01 C ATOM 1556 C THR A 101 7.090 -10.852 15.467 1.00 0.01 C ATOM 1557 O THR A 101 6.904 -9.713 15.851 1.00 0.01 O ATOM 1558 CB THR A 101 5.360 -11.955 16.882 1.00 0.01 C ATOM 1559 OG1 THR A 101 6.370 -12.320 17.813 1.00 0.00 O ATOM 1560 CG2 THR A 101 4.235 -12.987 16.911 1.00 0.01 C ATOM 0 H THR A 101 6.892 -13.770 15.882 1.00 0.00 H new ATOM 0 HA THR A 101 5.194 -11.605 14.758 1.00 0.01 H new ATOM 0 HB THR A 101 4.955 -10.979 17.150 1.00 0.01 H new ATOM 0 HG1 THR A 101 5.985 -12.362 18.713 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.808 -13.032 17.913 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.461 -12.701 16.199 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.632 -13.966 16.642 1.00 0.01 H new ATOM 1568 N CYS A 102 8.257 -11.247 15.044 1.00 0.00 N ATOM 1569 CA CYS A 102 9.411 -10.303 15.021 1.00 0.00 C ATOM 1570 C CYS A 102 9.105 -9.093 14.132 1.00 0.01 C ATOM 1571 O CYS A 102 9.168 -7.964 14.574 1.00 0.01 O ATOM 1572 CB CYS A 102 10.648 -11.030 14.482 1.00 0.00 C ATOM 1573 SG CYS A 102 11.967 -9.830 14.158 1.00 0.01 S ATOM 0 H CYS A 102 8.464 -12.189 14.711 1.00 0.00 H new ATOM 0 HA CYS A 102 9.595 -9.951 16.036 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.988 -11.773 15.203 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.397 -11.566 13.566 1.00 0.00 H new ATOM 0 HG CYS A 102 12.012 -9.568 12.885 1.00 0.01 H new ATOM 1579 N PHE A 103 8.799 -9.311 12.879 1.00 0.00 N ATOM 1580 CA PHE A 103 8.522 -8.161 11.961 1.00 0.01 C ATOM 1581 C PHE A 103 7.019 -7.868 11.873 1.00 0.01 C ATOM 1582 O PHE A 103 6.610 -6.919 11.234 1.00 0.00 O ATOM 1583 CB PHE A 103 9.062 -8.496 10.573 1.00 0.00 C ATOM 1584 CG PHE A 103 10.575 -8.445 10.595 1.00 0.00 C ATOM 1585 CD1 PHE A 103 11.312 -9.593 10.905 1.00 0.01 C ATOM 1586 CD2 PHE A 103 11.240 -7.246 10.309 1.00 0.00 C ATOM 1587 CE1 PHE A 103 12.712 -9.545 10.927 1.00 0.01 C ATOM 1588 CE2 PHE A 103 12.639 -7.197 10.331 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.375 -8.346 10.639 1.00 0.00 C ATOM 0 H PHE A 103 8.729 -10.234 12.450 1.00 0.00 H new ATOM 0 HA PHE A 103 9.014 -7.272 12.356 1.00 0.01 H new ATOM 0 HB2 PHE A 103 8.725 -9.487 10.269 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.674 -7.789 9.840 1.00 0.00 H new ATOM 0 HD1 PHE A 103 10.801 -10.518 11.128 1.00 0.01 H new ATOM 0 HD2 PHE A 103 10.673 -6.358 10.071 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.279 -10.432 11.166 1.00 0.01 H new ATOM 0 HE2 PHE A 103 13.150 -6.272 10.110 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.454 -8.308 10.655 1.00 0.00 H new ATOM 1599 N ASP A 104 6.189 -8.648 12.508 1.00 0.01 N ATOM 1600 CA ASP A 104 4.724 -8.363 12.446 1.00 0.01 C ATOM 1601 C ASP A 104 4.454 -6.992 13.062 1.00 0.00 C ATOM 1602 O ASP A 104 3.643 -6.228 12.577 1.00 0.01 O ATOM 1603 CB ASP A 104 3.936 -9.426 13.208 1.00 0.01 C ATOM 1604 CG ASP A 104 3.999 -10.751 12.443 1.00 0.01 C ATOM 1605 OD1 ASP A 104 4.377 -10.723 11.284 1.00 0.00 O ATOM 1606 OD2 ASP A 104 3.662 -11.769 13.025 1.00 0.01 O ATOM 0 H ASP A 104 6.455 -9.462 13.062 1.00 0.01 H new ATOM 0 HA ASP A 104 4.406 -8.375 11.403 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.348 -9.552 14.209 1.00 0.01 H new ATOM 0 HB3 ASP A 104 2.899 -9.111 13.327 1.00 0.01 H new ATOM 1611 N GLU A 105 5.129 -6.677 14.134 1.00 0.00 N ATOM 1612 CA GLU A 105 4.913 -5.359 14.792 1.00 0.00 C ATOM 1613 C GLU A 105 5.252 -4.253 13.796 1.00 0.00 C ATOM 1614 O GLU A 105 4.616 -3.220 13.761 1.00 0.01 O ATOM 1615 CB GLU A 105 5.824 -5.236 16.020 1.00 0.00 C ATOM 1616 CG GLU A 105 5.582 -3.886 16.708 1.00 0.00 C ATOM 1617 CD GLU A 105 6.486 -3.764 17.934 1.00 0.01 C ATOM 1618 OE1 GLU A 105 7.095 -4.756 18.295 1.00 0.01 O ATOM 1619 OE2 GLU A 105 6.556 -2.681 18.488 1.00 0.00 O ATOM 0 H GLU A 105 5.821 -7.277 14.582 1.00 0.00 H new ATOM 0 HA GLU A 105 3.874 -5.272 15.110 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.625 -6.051 16.716 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.869 -5.321 15.720 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.784 -3.071 16.013 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.537 -3.800 17.005 1.00 0.00 H new ATOM 1626 N ALA A 106 6.255 -4.460 12.992 1.00 0.00 N ATOM 1627 CA ALA A 106 6.643 -3.419 12.003 1.00 0.00 C ATOM 1628 C ALA A 106 5.522 -3.252 10.978 1.00 0.00 C ATOM 1629 O ALA A 106 5.206 -2.153 10.572 1.00 0.00 O ATOM 1630 CB ALA A 106 7.929 -3.845 11.289 1.00 0.00 C ATOM 0 H ALA A 106 6.824 -5.307 12.977 1.00 0.00 H new ATOM 0 HA ALA A 106 6.811 -2.473 12.517 1.00 0.00 H new ATOM 0 HB1 ALA A 106 8.213 -3.082 10.564 1.00 0.00 H new ATOM 0 HB2 ALA A 106 8.728 -3.966 12.020 1.00 0.00 H new ATOM 0 HB3 ALA A 106 7.763 -4.791 10.773 1.00 0.00 H new ATOM 1636 N GLN A 107 4.907 -4.321 10.560 1.00 0.00 N ATOM 1637 CA GLN A 107 3.805 -4.190 9.564 1.00 0.00 C ATOM 1638 C GLN A 107 2.706 -3.318 10.166 1.00 0.00 C ATOM 1639 O GLN A 107 2.171 -2.442 9.520 1.00 0.00 O ATOM 1640 CB GLN A 107 3.233 -5.575 9.246 1.00 0.00 C ATOM 1641 CG GLN A 107 2.099 -5.450 8.218 1.00 0.00 C ATOM 1642 CD GLN A 107 1.529 -6.839 7.921 1.00 0.00 C ATOM 1643 OE1 GLN A 107 1.182 -7.570 8.826 1.00 0.00 O ATOM 1644 NE2 GLN A 107 1.418 -7.238 6.684 1.00 0.00 N ATOM 0 H GLN A 107 5.116 -5.273 10.861 1.00 0.00 H new ATOM 0 HA GLN A 107 4.185 -3.739 8.647 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.019 -6.222 8.856 1.00 0.00 H new ATOM 0 HB3 GLN A 107 2.859 -6.042 10.157 1.00 0.00 H new ATOM 0 HG2 GLN A 107 1.315 -4.797 8.602 1.00 0.00 H new ATOM 0 HG3 GLN A 107 2.473 -4.994 7.301 1.00 0.00 H new ATOM 0 HE21 GLN A 107 1.709 -6.625 5.922 1.00 0.00 H new ATOM 0 HE22 GLN A 107 1.040 -8.163 6.478 1.00 0.00 H new ATOM 1653 N LYS A 108 2.370 -3.550 11.406 1.00 0.00 N ATOM 1654 CA LYS A 108 1.312 -2.731 12.054 1.00 0.00 C ATOM 1655 C LYS A 108 1.745 -1.267 12.049 1.00 0.00 C ATOM 1656 O LYS A 108 0.960 -0.378 11.783 1.00 0.00 O ATOM 1657 CB LYS A 108 1.112 -3.217 13.495 1.00 0.00 C ATOM 1658 CG LYS A 108 0.026 -2.389 14.187 1.00 0.00 C ATOM 1659 CD LYS A 108 -0.156 -2.892 15.620 1.00 0.01 C ATOM 1660 CE LYS A 108 -1.231 -2.062 16.322 1.00 0.00 C ATOM 1661 NZ LYS A 108 -0.755 -0.656 16.471 1.00 0.00 N ATOM 0 H LYS A 108 2.784 -4.272 11.996 1.00 0.00 H new ATOM 0 HA LYS A 108 0.372 -2.830 11.510 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.832 -4.270 13.496 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.048 -3.136 14.047 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.304 -1.335 14.192 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.913 -2.469 13.639 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.441 -3.944 15.613 1.00 0.01 H new ATOM 0 HD3 LYS A 108 0.786 -2.820 16.164 1.00 0.01 H new ATOM 0 HE2 LYS A 108 -2.157 -2.085 15.747 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.453 -2.488 17.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.523 -0.001 16.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -0.466 -0.490 17.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.056 -0.495 15.840 1.00 0.00 H new ATOM 1675 N LYS A 109 2.991 -1.007 12.337 1.00 0.01 N ATOM 1676 CA LYS A 109 3.464 0.402 12.341 1.00 0.00 C ATOM 1677 C LYS A 109 3.460 0.940 10.907 1.00 0.00 C ATOM 1678 O LYS A 109 3.076 2.065 10.665 1.00 0.00 O ATOM 1679 CB LYS A 109 4.882 0.475 12.926 1.00 0.00 C ATOM 1680 CG LYS A 109 4.884 -0.036 14.378 1.00 0.00 C ATOM 1681 CD LYS A 109 4.148 0.954 15.295 1.00 0.01 C ATOM 1682 CE LYS A 109 4.523 0.684 16.754 1.00 0.00 C ATOM 1683 NZ LYS A 109 5.901 1.186 17.011 1.00 0.01 N ATOM 0 H LYS A 109 3.697 -1.706 12.568 1.00 0.01 H new ATOM 0 HA LYS A 109 2.799 1.008 12.957 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.564 -0.123 12.321 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.244 1.503 12.894 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.404 -1.013 14.427 1.00 0.00 H new ATOM 0 HG3 LYS A 109 5.910 -0.167 14.723 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.410 1.977 15.026 1.00 0.01 H new ATOM 0 HD3 LYS A 109 3.071 0.855 15.162 1.00 0.01 H new ATOM 0 HE2 LYS A 109 3.815 1.176 17.420 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.468 -0.384 16.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.037 1.320 18.033 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 6.594 0.495 16.657 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 6.037 2.094 16.522 1.00 0.01 H new ATOM 1697 N ILE A 110 3.858 0.146 9.946 1.00 0.00 N ATOM 1698 CA ILE A 110 3.840 0.639 8.539 1.00 0.00 C ATOM 1699 C ILE A 110 2.386 0.775 8.082 1.00 0.00 C ATOM 1700 O ILE A 110 2.001 1.770 7.500 1.00 0.00 O ATOM 1701 CB ILE A 110 4.579 -0.345 7.627 1.00 0.00 C ATOM 1702 CG1 ILE A 110 6.074 -0.400 8.002 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.417 0.081 6.164 1.00 0.00 C ATOM 1704 CD1 ILE A 110 6.741 0.981 7.870 1.00 0.00 C ATOM 0 H ILE A 110 4.190 -0.810 10.073 1.00 0.00 H new ATOM 0 HA ILE A 110 4.339 1.607 8.485 1.00 0.00 H new ATOM 0 HB ILE A 110 4.151 -1.339 7.758 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.180 -0.760 9.025 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.586 -1.115 7.358 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.945 -0.622 5.520 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.359 0.089 5.902 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.832 1.080 6.028 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.794 0.904 8.142 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.657 1.329 6.840 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.245 1.689 8.534 1.00 0.00 H new ATOM 1716 N PHE A 111 1.565 -0.209 8.351 1.00 0.00 N ATOM 1717 CA PHE A 111 0.134 -0.107 7.939 1.00 0.00 C ATOM 1718 C PHE A 111 -0.487 1.116 8.625 1.00 0.00 C ATOM 1719 O PHE A 111 -1.125 1.935 8.000 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.629 -1.397 8.345 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.768 -2.321 7.150 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.340 -2.580 6.339 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -2.009 -2.901 6.849 1.00 0.00 C ATOM 1724 CE1 PHE A 111 0.211 -3.419 5.225 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -2.138 -3.741 5.737 1.00 0.00 C ATOM 1726 CZ PHE A 111 -1.029 -3.998 4.925 1.00 0.00 C ATOM 0 H PHE A 111 1.821 -1.070 8.833 1.00 0.00 H new ATOM 0 HA PHE A 111 0.065 0.005 6.857 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -0.096 -1.906 9.148 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.615 -1.139 8.731 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.296 -2.133 6.571 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.865 -2.699 7.475 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.067 -3.620 4.598 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.093 -4.190 5.506 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.128 -4.644 4.065 1.00 0.00 H new ATOM 1736 N ASN A 112 -0.307 1.245 9.908 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.887 2.418 10.617 1.00 0.00 C ATOM 1738 C ASN A 112 -0.192 3.703 10.158 1.00 0.00 C ATOM 1739 O ASN A 112 -0.825 4.709 9.925 1.00 0.00 O ATOM 1740 CB ASN A 112 -0.691 2.247 12.127 1.00 0.00 C ATOM 1741 CG ASN A 112 -1.594 1.122 12.636 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -2.559 0.765 11.990 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -1.325 0.548 13.777 1.00 0.00 N ATOM 0 H ASN A 112 0.214 0.593 10.494 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.951 2.484 10.388 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.352 2.017 12.345 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.927 3.178 12.643 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.925 -0.200 14.126 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -0.515 0.847 14.320 1.00 0.00 H new ATOM 1750 N LEU A 113 1.108 3.681 10.042 1.00 0.00 N ATOM 1751 CA LEU A 113 1.841 4.911 9.621 1.00 0.00 C ATOM 1752 C LEU A 113 1.395 5.360 8.229 1.00 0.00 C ATOM 1753 O LEU A 113 1.015 6.497 8.026 1.00 0.00 O ATOM 1754 CB LEU A 113 3.346 4.614 9.602 1.00 0.00 C ATOM 1755 CG LEU A 113 4.134 5.853 9.140 1.00 0.00 C ATOM 1756 CD1 LEU A 113 3.865 7.034 10.087 1.00 0.00 C ATOM 1757 CD2 LEU A 113 5.631 5.522 9.146 1.00 0.00 C ATOM 0 H LEU A 113 1.695 2.866 10.220 1.00 0.00 H new ATOM 0 HA LEU A 113 1.622 5.711 10.329 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.676 4.316 10.597 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.549 3.777 8.934 1.00 0.00 H new ATOM 0 HG LEU A 113 3.817 6.129 8.134 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.427 7.905 9.751 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.800 7.267 10.085 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.177 6.769 11.097 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.198 6.394 8.820 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.938 5.246 10.155 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.823 4.691 8.468 1.00 0.00 H new ATOM 1769 N MET A 114 1.452 4.488 7.266 1.00 0.00 N ATOM 1770 CA MET A 114 1.048 4.882 5.889 1.00 0.00 C ATOM 1771 C MET A 114 -0.448 5.221 5.863 1.00 0.00 C ATOM 1772 O MET A 114 -0.869 6.135 5.187 1.00 0.00 O ATOM 1773 CB MET A 114 1.366 3.738 4.915 1.00 0.00 C ATOM 1774 CG MET A 114 0.399 2.573 5.126 1.00 0.00 C ATOM 1775 SD MET A 114 1.165 1.038 4.542 1.00 0.00 S ATOM 1776 CE MET A 114 1.259 1.479 2.793 1.00 0.00 C ATOM 0 H MET A 114 1.760 3.521 7.371 1.00 0.00 H new ATOM 0 HA MET A 114 1.605 5.767 5.581 1.00 0.00 H new ATOM 0 HB2 MET A 114 1.295 4.096 3.888 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.391 3.399 5.064 1.00 0.00 H new ATOM 0 HG2 MET A 114 0.143 2.485 6.182 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.531 2.756 4.587 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.506 0.594 2.207 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.298 1.874 2.465 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.030 2.236 2.649 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.258 4.498 6.588 1.00 0.00 N ATOM 1787 CA GLU A 115 -2.719 4.801 6.593 1.00 0.00 C ATOM 1788 C GLU A 115 -2.958 6.222 7.125 1.00 0.00 C ATOM 1789 O GLU A 115 -3.797 6.951 6.640 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.454 3.794 7.487 1.00 0.00 C ATOM 1791 CG GLU A 115 -3.645 2.474 6.742 1.00 0.01 C ATOM 1792 CD GLU A 115 -4.150 1.408 7.717 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.289 1.724 8.886 1.00 0.01 O ATOM 1794 OE2 GLU A 115 -4.389 0.295 7.278 1.00 0.00 O ATOM 0 H GLU A 115 -0.974 3.714 7.175 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.098 4.729 5.574 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.886 3.626 8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -4.422 4.197 7.783 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -4.357 2.604 5.927 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -2.703 2.157 6.295 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.240 6.613 8.129 1.00 0.01 N ATOM 1802 CA LYS A 116 -2.442 7.972 8.698 1.00 0.00 C ATOM 1803 C LYS A 116 -1.948 9.050 7.730 1.00 0.01 C ATOM 1804 O LYS A 116 -2.557 10.094 7.602 1.00 0.00 O ATOM 1805 CB LYS A 116 -1.685 8.076 10.022 1.00 0.00 C ATOM 1806 CG LYS A 116 -2.385 7.202 11.065 1.00 0.00 C ATOM 1807 CD LYS A 116 -1.642 7.295 12.395 1.00 0.00 C ATOM 1808 CE LYS A 116 -2.348 6.414 13.425 1.00 0.00 C ATOM 1809 NZ LYS A 116 -3.795 6.765 13.467 1.00 0.00 N ATOM 0 H LYS A 116 -1.519 6.053 8.584 1.00 0.01 H new ATOM 0 HA LYS A 116 -3.508 8.130 8.864 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.652 7.753 9.892 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -1.655 9.112 10.358 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.418 7.526 11.191 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.415 6.167 10.725 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.608 6.974 12.271 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -1.616 8.329 12.739 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -2.225 5.362 13.166 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -1.900 6.555 14.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -4.167 6.591 14.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -3.916 7.769 13.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -4.314 6.180 12.782 1.00 0.00 H new ATOM 1823 N ASP A 117 -0.838 8.829 7.067 1.00 0.00 N ATOM 1824 CA ASP A 117 -0.295 9.872 6.135 1.00 0.00 C ATOM 1825 C ASP A 117 -0.617 9.550 4.670 1.00 0.00 C ATOM 1826 O ASP A 117 -0.872 10.435 3.886 1.00 0.00 O ATOM 1827 CB ASP A 117 1.225 9.932 6.296 1.00 0.00 C ATOM 1828 CG ASP A 117 1.575 10.398 7.711 1.00 0.00 C ATOM 1829 OD1 ASP A 117 0.806 11.161 8.271 1.00 0.00 O ATOM 1830 OD2 ASP A 117 2.609 9.983 8.209 1.00 0.00 O ATOM 0 H ASP A 117 -0.285 7.974 7.130 1.00 0.00 H new ATOM 0 HA ASP A 117 -0.760 10.825 6.387 1.00 0.00 H new ATOM 0 HB2 ASP A 117 1.659 8.950 6.108 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.652 10.615 5.562 1.00 0.00 H new ATOM 1835 N SER A 118 -0.576 8.310 4.269 1.00 0.00 N ATOM 1836 CA SER A 118 -0.844 8.002 2.831 1.00 0.00 C ATOM 1837 C SER A 118 -2.347 7.995 2.513 1.00 0.00 C ATOM 1838 O SER A 118 -2.782 8.685 1.624 1.00 0.01 O ATOM 1839 CB SER A 118 -0.257 6.636 2.476 1.00 0.00 C ATOM 1840 OG SER A 118 -1.141 5.614 2.915 1.00 0.00 O ATOM 0 H SER A 118 -0.372 7.506 4.862 1.00 0.00 H new ATOM 0 HA SER A 118 -0.374 8.787 2.238 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.104 6.562 1.399 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.719 6.514 2.945 1.00 0.00 H new ATOM 0 HG SER A 118 -1.386 5.773 3.850 1.00 0.00 H new ATOM 1846 N TYR A 119 -3.139 7.215 3.203 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.608 7.167 2.873 1.00 0.00 C ATOM 1848 C TYR A 119 -5.212 8.575 2.860 1.00 0.01 C ATOM 1849 O TYR A 119 -5.892 8.953 1.928 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.351 6.297 3.916 1.00 0.00 C ATOM 1851 CG TYR A 119 -5.796 4.983 3.306 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -4.878 4.188 2.613 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -7.125 4.568 3.438 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.291 2.974 2.052 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.538 3.356 2.877 1.00 0.01 C ATOM 1856 CZ TYR A 119 -6.619 2.558 2.185 1.00 0.00 C ATOM 1857 OH TYR A 119 -7.021 1.362 1.634 1.00 0.00 O ATOM 0 H TYR A 119 -2.844 6.614 3.972 1.00 0.01 H new ATOM 0 HA TYR A 119 -4.721 6.731 1.881 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.697 6.105 4.767 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.218 6.838 4.296 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -3.852 4.510 2.511 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -7.832 5.184 3.973 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -4.584 2.358 1.516 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.565 3.036 2.977 1.00 0.01 H new ATOM 0 HH TYR A 119 -7.825 1.505 1.092 1.00 0.00 H new ATOM 1867 N ARG A 120 -4.993 9.342 3.879 1.00 0.00 N ATOM 1868 CA ARG A 120 -5.587 10.705 3.896 1.00 0.01 C ATOM 1869 C ARG A 120 -5.059 11.475 2.690 1.00 0.00 C ATOM 1870 O ARG A 120 -5.795 12.151 1.999 1.00 0.00 O ATOM 1871 CB ARG A 120 -5.184 11.403 5.191 1.00 0.00 C ATOM 1872 CG ARG A 120 -5.871 10.692 6.361 1.00 0.01 C ATOM 1873 CD ARG A 120 -5.491 11.363 7.684 1.00 0.00 C ATOM 1874 NE ARG A 120 -5.555 10.345 8.783 1.00 0.01 N ATOM 1875 CZ ARG A 120 -6.608 9.587 8.944 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -7.716 9.846 8.306 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -6.570 8.594 9.790 1.00 0.01 N ATOM 0 H ARG A 120 -4.435 9.093 4.696 1.00 0.00 H new ATOM 0 HA ARG A 120 -6.675 10.656 3.846 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -4.101 11.376 5.315 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -5.476 12.453 5.162 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -6.953 10.720 6.228 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -5.579 9.642 6.380 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -4.488 11.784 7.618 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -6.170 12.189 7.896 1.00 0.00 H new ATOM 0 HE ARG A 120 -4.762 10.242 9.417 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -7.766 10.646 7.675 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -8.532 9.249 8.438 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -5.720 8.411 10.324 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -7.390 8.001 9.918 1.00 0.01 H new ATOM 1891 N ARG A 121 -3.794 11.349 2.407 1.00 0.00 N ATOM 1892 CA ARG A 121 -3.235 12.040 1.219 1.00 0.01 C ATOM 1893 C ARG A 121 -3.761 11.357 -0.044 1.00 0.01 C ATOM 1894 O ARG A 121 -4.080 12.003 -1.021 1.00 0.01 O ATOM 1895 CB ARG A 121 -1.712 11.966 1.247 1.00 0.01 C ATOM 1896 CG ARG A 121 -1.180 12.849 2.373 1.00 0.00 C ATOM 1897 CD ARG A 121 0.340 12.714 2.434 1.00 0.00 C ATOM 1898 NE ARG A 121 0.870 13.502 3.582 1.00 0.01 N ATOM 1899 CZ ARG A 121 2.092 13.304 3.998 1.00 0.01 C ATOM 1900 NH1 ARG A 121 2.852 12.425 3.403 1.00 0.00 N ATOM 1901 NH2 ARG A 121 2.559 13.988 5.005 1.00 0.01 N ATOM 0 H ARG A 121 -3.126 10.798 2.947 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.538 13.087 1.226 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.390 10.935 1.396 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.304 12.293 0.291 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -1.459 13.888 2.200 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.623 12.554 3.324 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.617 11.665 2.542 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.783 13.067 1.503 1.00 0.00 H new ATOM 0 HE ARG A 121 0.280 14.195 4.042 1.00 0.01 H new ATOM 0 HH11 ARG A 121 2.492 11.892 2.612 1.00 0.00 H new ATOM 0 HH12 ARG A 121 3.806 12.272 3.729 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.970 14.679 5.469 1.00 0.01 H new ATOM 0 HH22 ARG A 121 3.514 13.832 5.329 1.00 0.01 H new ATOM 1915 N PHE A 122 -3.844 10.048 -0.035 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.335 9.321 -1.235 1.00 0.01 C ATOM 1917 C PHE A 122 -5.732 9.826 -1.584 1.00 0.01 C ATOM 1918 O PHE A 122 -6.008 10.183 -2.707 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.398 7.803 -0.933 1.00 0.00 C ATOM 1920 CG PHE A 122 -3.953 7.021 -2.137 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -2.593 6.819 -2.338 1.00 0.01 C ATOM 1922 CD2 PHE A 122 -4.887 6.510 -3.045 1.00 0.00 C ATOM 1923 CE1 PHE A 122 -2.151 6.102 -3.450 1.00 0.01 C ATOM 1924 CE2 PHE A 122 -4.448 5.789 -4.162 1.00 0.00 C ATOM 1925 CZ PHE A 122 -3.077 5.585 -4.364 1.00 0.00 C ATOM 0 H PHE A 122 -3.591 9.456 0.756 1.00 0.01 H new ATOM 0 HA PHE A 122 -3.658 9.494 -2.072 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -3.762 7.567 -0.080 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.415 7.520 -0.660 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -1.878 7.217 -1.633 1.00 0.01 H new ATOM 0 HD2 PHE A 122 -5.943 6.671 -2.885 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -1.094 5.946 -3.606 1.00 0.01 H new ATOM 0 HE2 PHE A 122 -5.164 5.391 -4.866 1.00 0.00 H new ATOM 0 HZ PHE A 122 -2.734 5.029 -5.224 1.00 0.00 H new ATOM 1935 N LEU A 123 -6.609 9.861 -0.624 1.00 0.00 N ATOM 1936 CA LEU A 123 -7.989 10.340 -0.896 1.00 0.00 C ATOM 1937 C LEU A 123 -7.920 11.781 -1.401 1.00 0.01 C ATOM 1938 O LEU A 123 -8.654 12.175 -2.286 1.00 0.00 O ATOM 1939 CB LEU A 123 -8.810 10.272 0.396 1.00 0.00 C ATOM 1940 CG LEU A 123 -8.906 8.814 0.875 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -9.507 8.782 2.285 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -9.789 7.989 -0.084 1.00 0.01 C ATOM 0 H LEU A 123 -6.429 9.578 0.339 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.465 9.715 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.345 10.888 1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -9.808 10.675 0.225 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.907 8.379 0.890 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -9.576 7.750 2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -8.870 9.348 2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.502 9.226 2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.847 6.959 0.269 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -10.790 8.418 -0.116 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.355 8.006 -1.084 1.00 0.01 H new ATOM 1954 N LYS A 124 -7.045 12.571 -0.841 1.00 0.01 N ATOM 1955 CA LYS A 124 -6.920 13.991 -1.278 1.00 0.01 C ATOM 1956 C LYS A 124 -5.940 14.088 -2.455 1.00 0.01 C ATOM 1957 O LYS A 124 -5.737 15.147 -3.013 1.00 0.01 O ATOM 1958 CB LYS A 124 -6.392 14.822 -0.107 1.00 0.01 C ATOM 1959 CG LYS A 124 -7.477 14.928 0.967 1.00 0.01 C ATOM 1960 CD LYS A 124 -6.890 15.545 2.239 1.00 0.01 C ATOM 1961 CE LYS A 124 -6.566 17.021 1.999 1.00 0.01 C ATOM 1962 NZ LYS A 124 -6.388 17.697 3.313 1.00 0.01 N ATOM 0 H LYS A 124 -6.408 12.292 -0.095 1.00 0.01 H new ATOM 0 HA LYS A 124 -7.894 14.365 -1.594 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -5.497 14.359 0.308 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -6.106 15.816 -0.451 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -8.303 15.539 0.603 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -7.883 13.940 1.185 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -7.599 15.448 3.061 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -5.987 15.008 2.531 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -5.659 17.115 1.401 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -7.370 17.496 1.437 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -6.167 18.702 3.159 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -7.265 17.616 3.867 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -5.608 17.247 3.832 1.00 0.01 H new ATOM 1976 N SER A 125 -5.328 12.997 -2.837 1.00 0.00 N ATOM 1977 CA SER A 125 -4.362 13.048 -3.975 1.00 0.01 C ATOM 1978 C SER A 125 -5.116 13.280 -5.284 1.00 0.01 C ATOM 1979 O SER A 125 -6.293 13.002 -5.398 1.00 0.01 O ATOM 1980 CB SER A 125 -3.587 11.735 -4.061 1.00 0.01 C ATOM 1981 OG SER A 125 -4.475 10.690 -4.430 1.00 0.01 O ATOM 0 H SER A 125 -5.454 12.078 -2.413 1.00 0.00 H new ATOM 0 HA SER A 125 -3.663 13.868 -3.808 1.00 0.01 H new ATOM 0 HB2 SER A 125 -2.784 11.821 -4.793 1.00 0.01 H new ATOM 0 HB3 SER A 125 -3.121 11.510 -3.101 1.00 0.01 H new ATOM 0 HG SER A 125 -5.291 10.748 -3.890 1.00 0.01 H new ATOM 1987 N ARG A 126 -4.440 13.795 -6.273 1.00 0.01 N ATOM 1988 CA ARG A 126 -5.100 14.063 -7.584 1.00 0.01 C ATOM 1989 C ARG A 126 -5.597 12.761 -8.217 1.00 0.00 C ATOM 1990 O ARG A 126 -6.663 12.711 -8.801 1.00 0.00 O ATOM 1991 CB ARG A 126 -4.082 14.701 -8.530 1.00 0.01 C ATOM 1992 CG ARG A 126 -3.764 16.123 -8.058 1.00 0.01 C ATOM 1993 CD ARG A 126 -2.558 16.695 -8.814 1.00 0.01 C ATOM 1994 NE ARG A 126 -2.903 16.858 -10.270 1.00 0.00 N ATOM 1995 CZ ARG A 126 -2.863 15.870 -11.110 1.00 0.01 C ATOM 1996 NH1 ARG A 126 -2.397 14.708 -10.739 1.00 0.01 N ATOM 1997 NH2 ARG A 126 -3.253 16.052 -12.340 1.00 0.01 N ATOM 0 H ARG A 126 -3.452 14.044 -6.230 1.00 0.01 H new ATOM 0 HA ARG A 126 -5.948 14.727 -7.418 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -3.171 14.103 -8.557 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -4.478 14.724 -9.545 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -4.632 16.764 -8.212 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -3.558 16.117 -6.988 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -2.272 17.657 -8.388 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -1.700 16.031 -8.706 1.00 0.01 H new ATOM 0 HE ARG A 126 -3.179 17.780 -10.609 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -2.062 14.574 -9.785 1.00 0.01 H new ATOM 0 HH12 ARG A 126 -2.368 13.935 -11.403 1.00 0.01 H new ATOM 0 HH21 ARG A 126 -3.588 16.968 -12.639 1.00 0.01 H new ATOM 0 HH22 ARG A 126 -3.223 15.278 -13.004 1.00 0.01 H new ATOM 2011 N PHE A 127 -4.825 11.713 -8.133 1.00 0.01 N ATOM 2012 CA PHE A 127 -5.244 10.426 -8.757 1.00 0.01 C ATOM 2013 C PHE A 127 -6.557 9.941 -8.152 1.00 0.01 C ATOM 2014 O PHE A 127 -7.481 9.596 -8.854 1.00 0.00 O ATOM 2015 CB PHE A 127 -4.169 9.366 -8.516 1.00 0.01 C ATOM 2016 CG PHE A 127 -2.952 9.706 -9.332 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -2.849 9.250 -10.649 1.00 0.01 C ATOM 2018 CD2 PHE A 127 -1.931 10.485 -8.777 1.00 0.00 C ATOM 2019 CE1 PHE A 127 -1.722 9.571 -11.413 1.00 0.01 C ATOM 2020 CE2 PHE A 127 -0.804 10.809 -9.540 1.00 0.00 C ATOM 2021 CZ PHE A 127 -0.701 10.350 -10.860 1.00 0.00 C ATOM 0 H PHE A 127 -3.922 11.692 -7.659 1.00 0.01 H new ATOM 0 HA PHE A 127 -5.379 10.589 -9.826 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -3.912 9.324 -7.457 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -4.544 8.380 -8.792 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -3.639 8.650 -11.077 1.00 0.01 H new ATOM 0 HD2 PHE A 127 -2.013 10.836 -7.759 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -1.641 9.217 -12.430 1.00 0.01 H new ATOM 0 HE2 PHE A 127 -0.016 11.411 -9.113 1.00 0.00 H new ATOM 0 HZ PHE A 127 0.168 10.598 -11.451 1.00 0.00 H new ATOM 2031 N TYR A 128 -6.643 9.900 -6.857 1.00 0.01 N ATOM 2032 CA TYR A 128 -7.896 9.418 -6.224 1.00 0.01 C ATOM 2033 C TYR A 128 -9.035 10.396 -6.522 1.00 0.01 C ATOM 2034 O TYR A 128 -10.141 10.000 -6.830 1.00 0.00 O ATOM 2035 CB TYR A 128 -7.689 9.328 -4.713 1.00 0.00 C ATOM 2036 CG TYR A 128 -8.831 8.566 -4.093 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -9.977 9.247 -3.674 1.00 0.00 C ATOM 2038 CD2 TYR A 128 -8.746 7.175 -3.944 1.00 0.01 C ATOM 2039 CE1 TYR A 128 -11.040 8.541 -3.102 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -9.810 6.468 -3.373 1.00 0.01 C ATOM 2041 CZ TYR A 128 -10.956 7.154 -2.952 1.00 0.01 C ATOM 2042 OH TYR A 128 -12.009 6.463 -2.395 1.00 0.01 O ATOM 0 H TYR A 128 -5.904 10.178 -6.211 1.00 0.01 H new ATOM 0 HA TYR A 128 -8.152 8.436 -6.623 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -6.744 8.830 -4.494 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.630 10.328 -4.283 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -10.042 10.319 -3.792 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -7.860 6.649 -4.269 1.00 0.01 H new ATOM 0 HE1 TYR A 128 -11.925 9.067 -2.776 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -9.748 5.396 -3.257 1.00 0.01 H new ATOM 0 HH TYR A 128 -12.040 5.558 -2.769 1.00 0.01 H new ATOM 2052 N LEU A 129 -8.770 11.670 -6.429 1.00 0.01 N ATOM 2053 CA LEU A 129 -9.841 12.679 -6.695 1.00 0.01 C ATOM 2054 C LEU A 129 -10.370 12.538 -8.125 1.00 0.01 C ATOM 2055 O LEU A 129 -11.561 12.455 -8.345 1.00 0.01 O ATOM 2056 CB LEU A 129 -9.260 14.085 -6.519 1.00 0.01 C ATOM 2057 CG LEU A 129 -8.966 14.358 -5.038 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -8.080 15.605 -4.924 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -10.282 14.581 -4.260 1.00 0.01 C ATOM 0 H LEU A 129 -7.860 12.058 -6.181 1.00 0.01 H new ATOM 0 HA LEU A 129 -10.660 12.514 -5.995 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -8.345 14.183 -7.103 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -9.962 14.826 -6.900 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.452 13.497 -4.610 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -7.867 15.805 -3.874 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -7.145 15.437 -5.458 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -8.598 16.460 -5.359 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -10.056 14.773 -3.211 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -10.812 15.436 -4.680 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -10.907 13.691 -4.339 1.00 0.01 H new ATOM 2071 N ASP A 130 -9.506 12.503 -9.099 1.00 0.56 N ATOM 2072 CA ASP A 130 -9.992 12.362 -10.500 1.00 0.91 C ATOM 2073 C ASP A 130 -10.736 11.038 -10.640 1.00 1.05 C ATOM 2074 O ASP A 130 -11.787 10.964 -11.245 1.00 1.91 O ATOM 2075 CB ASP A 130 -8.800 12.407 -11.457 1.00 2.23 C ATOM 2076 CG ASP A 130 -8.226 13.825 -11.481 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -8.904 14.725 -11.011 1.00 3.77 O ATOM 2078 OD2 ASP A 130 -7.117 13.987 -11.963 1.00 3.36 O ATOM 0 H ASP A 130 -8.494 12.565 -8.989 1.00 0.56 H new ATOM 0 HA ASP A 130 -10.671 13.179 -10.745 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -8.036 11.698 -11.138 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -9.111 12.111 -12.459 1.00 2.23 H new ATOM 2083 N LEU A 131 -10.212 9.994 -10.063 1.00 1.16 N ATOM 2084 CA LEU A 131 -10.901 8.678 -10.142 1.00 1.68 C ATOM 2085 C LEU A 131 -12.172 8.759 -9.294 1.00 2.00 C ATOM 2086 O LEU A 131 -13.223 8.291 -9.680 1.00 2.21 O ATOM 2087 CB LEU A 131 -9.966 7.594 -9.597 1.00 2.07 C ATOM 2088 CG LEU A 131 -8.728 7.477 -10.500 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -7.668 6.634 -9.786 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -9.096 6.811 -11.838 1.00 3.54 C ATOM 0 H LEU A 131 -9.336 9.995 -9.540 1.00 1.16 H new ATOM 0 HA LEU A 131 -11.161 8.432 -11.172 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -9.664 7.839 -8.579 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -10.488 6.638 -9.553 1.00 2.07 H new ATOM 0 HG LEU A 131 -8.340 8.475 -10.703 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -6.786 6.546 -10.420 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -7.393 7.114 -8.847 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -8.069 5.641 -9.582 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -8.207 6.737 -12.464 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -9.492 5.813 -11.651 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -9.850 7.411 -12.348 1.00 3.54 H new ATOM 2102 N THR A 132 -12.080 9.400 -8.157 1.00 2.68 N ATOM 2103 CA THR A 132 -13.261 9.590 -7.271 1.00 3.30 C ATOM 2104 C THR A 132 -13.495 11.085 -7.174 1.00 3.72 C ATOM 2105 O THR A 132 -12.873 11.778 -6.394 1.00 3.94 O ATOM 2106 CB THR A 132 -12.972 9.035 -5.881 1.00 3.80 C ATOM 2107 OG1 THR A 132 -11.918 9.782 -5.300 1.00 4.04 O ATOM 2108 CG2 THR A 132 -12.574 7.567 -5.998 1.00 4.63 C ATOM 0 H THR A 132 -11.215 9.807 -7.801 1.00 2.68 H new ATOM 0 HA THR A 132 -14.132 9.071 -7.671 1.00 3.30 H new ATOM 0 HB THR A 132 -13.859 9.112 -5.252 1.00 3.80 H new ATOM 0 HG1 THR A 132 -11.184 9.179 -5.059 1.00 4.04 H new ATOM 0 HG21 THR A 132 -12.366 7.166 -5.006 1.00 4.63 H new ATOM 0 HG22 THR A 132 -13.389 7.004 -6.454 1.00 4.63 H new ATOM 0 HG23 THR A 132 -11.682 7.480 -6.618 1.00 4.63 H new