USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=41 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 2:sc= -1.27! USER MOD Set 1.2: A 109 LYS NZ :NH3+ 176:sc= 0.51! (180deg=0.648) USER MOD Set 2.1: A 94 ASN : amide:sc= -2.02 K(o=-2.3,f=-1.6) USER MOD Set 2.2: A 102 CYS SG : rot -100:sc= -0.32 USER MOD Set 3.1: A 99 THR OG1 : rot 123:sc= 0.503 USER MOD Set 3.2: A 101 THR OG1 : rot 180:sc= 0.465 USER MOD Set 4.1: A 85 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 86 CYS SG : rot 180:sc= 0 USER MOD Set 5.1: A 48 SER OG : rot -44:sc= 0.747 USER MOD Set 5.2: A 49 CYS SG : rot 63:sc= -4.82! USER MOD Set 6.1: A 39 SER OG : rot -44:sc= -2.72! USER MOD Set 6.2: A 42 ASN : amide:sc= -6.31! C(o=-15!,f=-5.5!) USER MOD Set 6.3: A 82 ASN : amide:sc= -5.88! K(o=-15!,f=-9.8) USER MOD Set 7.1: A 16 SER OG : rot 180:sc= -0.75 USER MOD Set 7.2: A 19 ASN : amide:sc= -1.2 X(o=-1.9,f=-2.2!) USER MOD Single : A 6 SER OG : rot 180:sc= -0.14 USER MOD Single : A 7 GLN : amide:sc= -2.3! C(o=-2.3!,f=-3.8!) USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= -0.0184 (180deg=-0.259) USER MOD Single : A 12 LYS NZ :NH3+ 160:sc= -0.129 (180deg=-0.991) USER MOD Single : A 22 ASN : amide:sc= -2.49 K(o=-2.5,f=-1.5) USER MOD Single : A 23 HIS : no HD1:sc= -5.18! C(o=-5.2!,f=-12!) USER MOD Single : A 25 CYS SG : rot -12:sc= 0.196 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 153:sc= -0.156 (180deg=-1.09) 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 52 TYR OH : rot 0:sc= 0.286 USER MOD Single : A 53 LYS NZ :NH3+ -176:sc= -2.6! (180deg=-2.9!) USER MOD Single : A 54 LYS NZ :NH3+ 138:sc= -1.13 (180deg=-2.65!) USER MOD Single : A 56 LYS NZ :NH3+ 160:sc= -0.07 (180deg=-0.598) 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= -0.48 USER MOD Single : A 64 LYS NZ :NH3+ 176:sc= -3.19! (180deg=-3.2) USER MOD Single : A 66 LYS NZ :NH3+ 160:sc= -0.0535 (180deg=-0.505) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 130:sc= -0.135 USER MOD Single : A 70 ASN : amide:sc= -2.82 K(o=-2.8,f=-4.6!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0466 USER MOD Single : A 76 GLN : amide:sc= -0.0204 K(o=-0.02,f=-1.3!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 166:sc= 1.82 (180deg=1.35) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.00744 USER MOD Single : A 92 SER OG : rot -48:sc= 0.879 USER MOD Single : A 95 MET CE :methyl -168:sc= -0.846 (180deg=-1.73) USER MOD Single : A 107 GLN : amide:sc= -2.9 K(o=-2.9,f=-11!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -0.573 X(o=-0.57,f=-0.34) USER MOD Single : A 114 MET CE :methyl 160:sc= -4.33! (180deg=-6.88!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot -40:sc= -1.77 USER MOD Single : A 119 TYR OH : rot -155:sc= -3.5! USER MOD Single : A 124 LYS NZ :NH3+ -160:sc= -0.0711 (180deg=-0.56) USER MOD Single : A 125 SER OG : rot -35:sc= 0.615 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot -154:sc= -3.63! USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 6 -11.479 1.026 -12.248 1.00 15.43 N ATOM 18 CA SER A 6 -12.947 1.256 -12.152 1.00 14.66 C ATOM 19 C SER A 6 -13.281 1.996 -10.857 1.00 13.40 C ATOM 20 O SER A 6 -12.508 2.017 -9.920 1.00 12.58 O ATOM 21 CB SER A 6 -13.676 -0.086 -12.179 1.00 15.49 C ATOM 22 OG SER A 6 -13.389 -0.800 -10.984 1.00 15.97 O ATOM 0 HA SER A 6 -13.268 1.863 -12.998 1.00 14.66 H new ATOM 0 HB2 SER A 6 -14.750 0.072 -12.273 1.00 15.49 H new ATOM 0 HB3 SER A 6 -13.363 -0.666 -13.047 1.00 15.49 H new ATOM 0 HG SER A 6 -13.856 -1.661 -10.997 1.00 15.97 H new ATOM 28 N GLN A 7 -14.433 2.606 -10.805 1.00 13.37 N ATOM 29 CA GLN A 7 -14.837 3.349 -9.580 1.00 12.23 C ATOM 30 C GLN A 7 -14.891 2.382 -8.393 1.00 11.36 C ATOM 31 O GLN A 7 -14.526 2.717 -7.289 1.00 10.97 O ATOM 32 CB GLN A 7 -16.220 3.969 -9.790 1.00 13.19 C ATOM 33 CG GLN A 7 -16.120 5.105 -10.809 1.00 13.36 C ATOM 34 CD GLN A 7 -15.874 4.518 -12.199 1.00 13.61 C ATOM 35 OE1 GLN A 7 -16.533 3.580 -12.602 1.00 13.82 O ATOM 36 NE2 GLN A 7 -14.944 5.034 -12.952 1.00 13.77 N ATOM 0 H GLN A 7 -15.115 2.621 -11.563 1.00 13.37 H new ATOM 0 HA GLN A 7 -14.111 4.137 -9.379 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -16.920 3.211 -10.142 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -16.608 4.347 -8.844 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -17.038 5.692 -10.807 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -15.309 5.781 -10.539 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -14.391 5.821 -12.613 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -14.769 4.651 -13.881 1.00 13.77 H new ATOM 45 N GLU A 8 -15.364 1.189 -8.617 1.00 13.01 N ATOM 46 CA GLU A 8 -15.472 0.197 -7.504 1.00 12.24 C ATOM 47 C GLU A 8 -14.103 -0.096 -6.888 1.00 11.73 C ATOM 48 O GLU A 8 -13.980 -0.254 -5.693 1.00 11.71 O ATOM 49 CB GLU A 8 -16.069 -1.110 -8.030 1.00 13.27 C ATOM 50 CG GLU A 8 -17.544 -0.900 -8.374 1.00 13.55 C ATOM 51 CD GLU A 8 -18.141 -2.211 -8.888 1.00 14.55 C ATOM 52 OE1 GLU A 8 -18.028 -2.468 -10.075 1.00 15.06 O ATOM 53 OE2 GLU A 8 -18.704 -2.936 -8.084 1.00 14.92 O ATOM 0 H GLU A 8 -15.683 0.854 -9.526 1.00 13.01 H new ATOM 0 HA GLU A 8 -16.118 0.625 -6.737 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -15.523 -1.441 -8.913 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -15.968 -1.895 -7.280 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -18.089 -0.561 -7.493 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -17.645 -0.121 -9.130 1.00 13.55 H new ATOM 60 N GLU A 9 -13.078 -0.190 -7.682 1.00 11.46 N ATOM 61 CA GLU A 9 -11.733 -0.501 -7.115 1.00 11.12 C ATOM 62 C GLU A 9 -11.262 0.648 -6.226 1.00 10.28 C ATOM 63 O GLU A 9 -10.890 0.450 -5.086 1.00 10.32 O ATOM 64 CB GLU A 9 -10.744 -0.665 -8.262 1.00 12.40 C ATOM 65 CG GLU A 9 -11.040 -1.947 -9.034 1.00 13.24 C ATOM 66 CD GLU A 9 -10.643 -3.161 -8.195 1.00 14.08 C ATOM 67 OE1 GLU A 9 -9.977 -2.973 -7.191 1.00 14.68 O ATOM 68 OE2 GLU A 9 -11.007 -4.263 -8.576 1.00 14.26 O ATOM 0 H GLU A 9 -13.108 -0.066 -8.694 1.00 11.46 H new ATOM 0 HA GLU A 9 -11.793 -1.415 -6.525 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -10.806 0.193 -8.931 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -9.726 -0.693 -7.873 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -12.100 -1.996 -9.282 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -10.492 -1.950 -9.976 1.00 13.24 H new ATOM 75 N VAL A 10 -11.282 1.849 -6.728 1.00 9.75 N ATOM 76 CA VAL A 10 -10.846 3.005 -5.898 1.00 9.10 C ATOM 77 C VAL A 10 -11.753 3.089 -4.669 1.00 7.91 C ATOM 78 O VAL A 10 -11.320 3.416 -3.588 1.00 7.70 O ATOM 79 CB VAL A 10 -10.918 4.305 -6.710 1.00 10.81 C ATOM 80 CG1 VAL A 10 -9.800 4.330 -7.762 1.00 11.69 C ATOM 81 CG2 VAL A 10 -12.270 4.393 -7.418 1.00 11.17 C ATOM 0 H VAL A 10 -11.581 2.081 -7.675 1.00 9.75 H new ATOM 0 HA VAL A 10 -9.812 2.866 -5.584 1.00 9.10 H new ATOM 0 HB VAL A 10 -10.798 5.151 -6.033 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -9.859 5.256 -8.334 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -8.832 4.271 -7.265 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -9.915 3.480 -8.435 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -12.320 5.317 -7.994 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -12.386 3.541 -8.088 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -13.070 4.384 -6.677 1.00 11.17 H new ATOM 91 N LYS A 11 -13.008 2.775 -4.816 1.00 7.38 N ATOM 92 CA LYS A 11 -13.909 2.815 -3.633 1.00 6.32 C ATOM 93 C LYS A 11 -13.377 1.840 -2.587 1.00 5.68 C ATOM 94 O LYS A 11 -13.404 2.111 -1.404 1.00 5.93 O ATOM 95 CB LYS A 11 -15.339 2.438 -4.039 1.00 8.26 C ATOM 96 CG LYS A 11 -15.963 3.561 -4.889 1.00 8.64 C ATOM 97 CD LYS A 11 -16.541 4.659 -3.989 1.00 9.23 C ATOM 98 CE LYS A 11 -17.116 5.774 -4.863 1.00 9.91 C ATOM 99 NZ LYS A 11 -15.999 6.538 -5.485 1.00 10.51 N ATOM 0 H LYS A 11 -13.446 2.495 -5.694 1.00 7.38 H new ATOM 0 HA LYS A 11 -13.933 3.823 -3.219 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.331 1.506 -4.604 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -15.944 2.266 -3.149 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -15.209 3.985 -5.551 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -16.749 3.151 -5.523 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -17.319 4.247 -3.346 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -15.764 5.057 -3.335 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -17.758 5.351 -5.636 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -17.737 6.439 -4.262 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -16.359 7.443 -5.851 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -15.264 6.720 -4.772 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -15.593 5.985 -6.267 1.00 10.51 H new ATOM 113 N LYS A 12 -12.877 0.711 -3.011 1.00 5.08 N ATOM 114 CA LYS A 12 -12.334 -0.264 -2.028 1.00 4.72 C ATOM 115 C LYS A 12 -11.112 0.355 -1.339 1.00 4.34 C ATOM 116 O LYS A 12 -10.821 0.062 -0.197 1.00 4.65 O ATOM 117 CB LYS A 12 -11.931 -1.567 -2.727 1.00 6.91 C ATOM 118 CG LYS A 12 -13.184 -2.310 -3.196 1.00 7.86 C ATOM 119 CD LYS A 12 -12.778 -3.612 -3.894 1.00 8.86 C ATOM 120 CE LYS A 12 -14.032 -4.352 -4.363 1.00 9.89 C ATOM 121 NZ LYS A 12 -14.858 -3.436 -5.198 1.00 10.82 N ATOM 0 H LYS A 12 -12.822 0.425 -3.988 1.00 5.08 H new ATOM 0 HA LYS A 12 -13.102 -0.495 -1.290 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -11.285 -1.350 -3.578 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.358 -2.195 -2.045 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -13.830 -2.528 -2.345 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -13.757 -1.683 -3.879 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -12.132 -3.395 -4.744 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -12.206 -4.240 -3.211 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -13.754 -5.236 -4.938 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -14.607 -4.698 -3.504 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -15.509 -3.995 -5.786 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -15.406 -2.803 -4.581 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -14.237 -2.870 -5.811 1.00 10.82 H new ATOM 135 N TRP A 13 -10.397 1.221 -2.016 1.00 4.15 N ATOM 136 CA TRP A 13 -9.209 1.857 -1.373 1.00 3.58 C ATOM 137 C TRP A 13 -9.680 2.617 -0.134 1.00 2.38 C ATOM 138 O TRP A 13 -9.026 2.624 0.880 1.00 2.83 O ATOM 139 CB TRP A 13 -8.524 2.841 -2.334 1.00 4.70 C ATOM 140 CG TRP A 13 -7.922 2.120 -3.507 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.013 0.788 -3.752 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.133 2.680 -4.600 1.00 5.21 C ATOM 143 NE1 TRP A 13 -7.324 0.502 -4.919 1.00 5.86 N ATOM 144 CE2 TRP A 13 -6.764 1.633 -5.477 1.00 5.70 C ATOM 145 CE3 TRP A 13 -6.703 3.984 -4.908 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -5.997 1.873 -6.620 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -5.932 4.227 -6.055 1.00 5.91 C ATOM 148 CH2 TRP A 13 -5.579 3.173 -6.910 1.00 6.26 C ATOM 0 H TRP A 13 -10.583 1.511 -2.976 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.492 1.081 -1.106 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -9.249 3.574 -2.687 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.747 3.391 -1.803 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -8.536 0.070 -3.138 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -7.241 -0.433 -5.318 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -6.968 4.804 -4.257 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -5.729 1.057 -7.275 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -5.608 5.232 -6.281 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -4.985 3.367 -7.791 1.00 6.26 H new ATOM 159 N ALA A 14 -10.811 3.257 -0.200 1.00 0.01 N ATOM 160 CA ALA A 14 -11.299 4.005 0.991 1.00 0.01 C ATOM 161 C ALA A 14 -11.916 3.022 1.991 1.00 0.01 C ATOM 162 O ALA A 14 -12.291 3.392 3.085 1.00 0.01 O ATOM 163 CB ALA A 14 -12.358 5.024 0.563 1.00 0.00 C ATOM 0 H ALA A 14 -11.416 3.296 -1.020 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.463 4.527 1.457 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -12.713 5.569 1.438 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.922 5.724 -0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.195 4.505 0.095 1.00 0.00 H new ATOM 169 N GLU A 15 -12.032 1.768 1.623 1.00 0.01 N ATOM 170 CA GLU A 15 -12.635 0.764 2.555 1.00 0.01 C ATOM 171 C GLU A 15 -11.555 0.081 3.405 1.00 0.01 C ATOM 172 O GLU A 15 -11.806 -0.303 4.528 1.00 0.01 O ATOM 173 CB GLU A 15 -13.368 -0.306 1.746 1.00 0.01 C ATOM 174 CG GLU A 15 -14.625 0.296 1.111 1.00 0.01 C ATOM 175 CD GLU A 15 -15.312 -0.760 0.245 1.00 0.01 C ATOM 176 OE1 GLU A 15 -14.728 -1.813 0.054 1.00 0.01 O ATOM 177 OE2 GLU A 15 -16.410 -0.497 -0.217 1.00 0.01 O ATOM 0 H GLU A 15 -11.736 1.398 0.720 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.327 1.287 3.215 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -12.712 -0.702 0.971 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.640 -1.141 2.392 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -15.306 0.645 1.887 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -14.360 1.163 0.505 1.00 0.01 H new ATOM 184 N SER A 16 -10.360 -0.091 2.892 1.00 0.01 N ATOM 185 CA SER A 16 -9.312 -0.772 3.715 1.00 0.01 C ATOM 186 C SER A 16 -7.940 -0.708 3.030 1.00 0.00 C ATOM 187 O SER A 16 -7.824 -0.788 1.825 1.00 0.00 O ATOM 188 CB SER A 16 -9.699 -2.237 3.912 1.00 0.01 C ATOM 189 OG SER A 16 -9.945 -2.830 2.643 1.00 0.01 O ATOM 0 H SER A 16 -10.069 0.203 1.960 1.00 0.01 H new ATOM 0 HA SER A 16 -9.246 -0.261 4.675 1.00 0.01 H new ATOM 0 HB2 SER A 16 -8.900 -2.770 4.427 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.587 -2.310 4.539 1.00 0.01 H new ATOM 0 HG SER A 16 -10.193 -3.770 2.764 1.00 0.01 H new ATOM 195 N LEU A 17 -6.904 -0.575 3.820 1.00 0.00 N ATOM 196 CA LEU A 17 -5.515 -0.497 3.279 1.00 0.00 C ATOM 197 C LEU A 17 -5.183 -1.776 2.496 1.00 0.01 C ATOM 198 O LEU A 17 -4.550 -1.729 1.459 1.00 0.00 O ATOM 199 CB LEU A 17 -4.555 -0.335 4.461 1.00 0.01 C ATOM 200 CG LEU A 17 -3.104 -0.189 3.974 1.00 0.00 C ATOM 201 CD1 LEU A 17 -2.973 1.063 3.081 1.00 0.01 C ATOM 202 CD2 LEU A 17 -2.155 -0.072 5.196 1.00 0.00 C ATOM 0 H LEU A 17 -6.965 -0.516 4.836 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.420 0.350 2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.836 0.541 5.046 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.636 -1.198 5.121 1.00 0.01 H new ATOM 0 HG LEU A 17 -2.830 -1.068 3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.942 1.160 2.740 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.633 0.966 2.219 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -3.251 1.948 3.653 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -1.127 0.031 4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.429 0.802 5.787 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.242 -0.967 5.811 1.00 0.00 H new ATOM 214 N GLU A 18 -5.598 -2.916 2.981 1.00 0.01 N ATOM 215 CA GLU A 18 -5.302 -4.190 2.265 1.00 0.00 C ATOM 216 C GLU A 18 -5.799 -4.110 0.819 1.00 0.00 C ATOM 217 O GLU A 18 -5.147 -4.581 -0.092 1.00 0.01 O ATOM 218 CB GLU A 18 -6.022 -5.347 2.965 1.00 0.01 C ATOM 219 CG GLU A 18 -5.353 -5.644 4.306 1.00 0.01 C ATOM 220 CD GLU A 18 -3.977 -6.264 4.061 1.00 0.00 C ATOM 221 OE1 GLU A 18 -3.698 -6.606 2.923 1.00 0.01 O ATOM 222 OE2 GLU A 18 -3.227 -6.390 5.015 1.00 0.01 O ATOM 0 H GLU A 18 -6.131 -3.019 3.845 1.00 0.01 H new ATOM 0 HA GLU A 18 -4.224 -4.354 2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.070 -5.093 3.121 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -6.000 -6.235 2.334 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -5.253 -4.727 4.886 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -5.972 -6.325 4.891 1.00 0.01 H new ATOM 229 N ASN A 19 -6.945 -3.532 0.593 1.00 0.01 N ATOM 230 CA ASN A 19 -7.456 -3.449 -0.805 1.00 0.00 C ATOM 231 C ASN A 19 -6.493 -2.618 -1.658 1.00 0.00 C ATOM 232 O ASN A 19 -6.205 -2.954 -2.790 1.00 0.01 O ATOM 233 CB ASN A 19 -8.838 -2.790 -0.818 1.00 0.01 C ATOM 234 CG ASN A 19 -9.869 -3.735 -0.193 1.00 0.01 C ATOM 235 OD1 ASN A 19 -9.628 -4.920 -0.072 1.00 0.01 O ATOM 236 ND2 ASN A 19 -11.021 -3.261 0.197 1.00 0.01 N ATOM 0 H ASN A 19 -7.545 -3.117 1.306 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.532 -4.457 -1.214 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.809 -1.851 -0.264 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -9.126 -2.548 -1.841 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -11.718 -3.885 0.603 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -11.224 -2.267 0.096 1.00 0.01 H new ATOM 243 N LEU A 20 -5.982 -1.544 -1.121 1.00 0.00 N ATOM 244 CA LEU A 20 -5.028 -0.701 -1.900 1.00 0.01 C ATOM 245 C LEU A 20 -3.780 -1.522 -2.229 1.00 0.01 C ATOM 246 O LEU A 20 -3.240 -1.450 -3.314 1.00 0.00 O ATOM 247 CB LEU A 20 -4.639 0.525 -1.057 1.00 0.00 C ATOM 248 CG LEU A 20 -3.653 1.431 -1.813 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.325 2.043 -3.045 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.206 2.560 -0.882 1.00 0.01 C ATOM 0 H LEU A 20 -6.183 -1.213 -0.177 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.494 -0.371 -2.828 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -5.534 1.092 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.190 0.197 -0.120 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.798 0.836 -2.134 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -3.613 2.681 -3.568 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -4.657 1.247 -3.712 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.184 2.637 -2.733 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -2.506 3.209 -1.408 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.075 3.140 -0.570 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -2.718 2.136 -0.004 1.00 0.01 H new ATOM 262 N ILE A 21 -3.313 -2.293 -1.289 1.00 0.01 N ATOM 263 CA ILE A 21 -2.093 -3.116 -1.520 1.00 0.00 C ATOM 264 C ILE A 21 -2.442 -4.361 -2.338 1.00 0.00 C ATOM 265 O ILE A 21 -1.620 -4.889 -3.062 1.00 0.00 O ATOM 266 CB ILE A 21 -1.529 -3.556 -0.172 1.00 0.00 C ATOM 267 CG1 ILE A 21 -1.203 -2.327 0.675 1.00 0.00 C ATOM 268 CG2 ILE A 21 -0.252 -4.364 -0.393 1.00 0.00 C ATOM 269 CD1 ILE A 21 -0.920 -2.772 2.110 1.00 0.01 C ATOM 0 H ILE A 21 -3.727 -2.390 -0.362 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.360 -2.521 -2.065 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.269 -4.169 0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.338 -1.806 0.265 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.037 -1.625 0.656 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.151 -4.678 0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.478 -5.243 -0.996 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.483 -3.748 -0.910 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.686 -1.901 2.722 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -1.798 -3.275 2.515 1.00 0.01 H new ATOM 0 HD13 ILE A 21 -0.073 -3.458 2.118 1.00 0.01 H new ATOM 281 N ASN A 22 -3.645 -4.856 -2.203 1.00 0.00 N ATOM 282 CA ASN A 22 -4.035 -6.096 -2.944 1.00 0.01 C ATOM 283 C ASN A 22 -4.584 -5.754 -4.328 1.00 0.01 C ATOM 284 O ASN A 22 -4.919 -6.630 -5.098 1.00 0.01 O ATOM 285 CB ASN A 22 -5.118 -6.833 -2.158 1.00 0.01 C ATOM 286 CG ASN A 22 -4.546 -7.319 -0.830 1.00 0.01 C ATOM 287 OD1 ASN A 22 -3.459 -7.859 -0.782 1.00 0.01 O ATOM 288 ND2 ASN A 22 -5.241 -7.151 0.261 1.00 0.01 N ATOM 0 H ASN A 22 -4.375 -4.457 -1.613 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.149 -6.721 -3.058 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -5.966 -6.172 -1.980 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -5.490 -7.679 -2.737 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -4.872 -7.473 1.156 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -6.154 -6.697 0.220 1.00 0.01 H new ATOM 295 N HIS A 23 -4.679 -4.498 -4.660 1.00 0.01 N ATOM 296 CA HIS A 23 -5.209 -4.127 -6.004 1.00 0.01 C ATOM 297 C HIS A 23 -4.044 -3.987 -6.985 1.00 0.01 C ATOM 298 O HIS A 23 -3.021 -3.406 -6.676 1.00 0.01 O ATOM 299 CB HIS A 23 -5.969 -2.807 -5.906 1.00 0.00 C ATOM 300 CG HIS A 23 -6.573 -2.477 -7.241 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.534 -3.358 -8.310 1.00 0.01 N ATOM 302 CD2 HIS A 23 -7.237 -1.366 -7.694 1.00 0.01 C ATOM 303 CE1 HIS A 23 -7.158 -2.766 -9.344 1.00 0.01 C ATOM 304 NE2 HIS A 23 -7.606 -1.550 -9.022 1.00 0.01 N ATOM 0 H HIS A 23 -4.414 -3.714 -4.063 1.00 0.01 H new ATOM 0 HA HIS A 23 -5.888 -4.903 -6.359 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -6.750 -2.880 -5.149 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.295 -2.010 -5.592 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -7.442 -0.482 -7.108 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -7.282 -3.219 -10.317 1.00 0.01 H new ATOM 0 HE2 HIS A 23 -8.110 -0.897 -9.621 1.00 0.01 H new ATOM 312 N GLU A 24 -4.192 -4.529 -8.163 1.00 0.01 N ATOM 313 CA GLU A 24 -3.100 -4.454 -9.173 1.00 0.01 C ATOM 314 C GLU A 24 -2.791 -2.991 -9.474 1.00 0.01 C ATOM 315 O GLU A 24 -1.650 -2.613 -9.659 1.00 0.01 O ATOM 316 CB GLU A 24 -3.550 -5.157 -10.456 1.00 0.01 C ATOM 317 CG GLU A 24 -2.405 -5.163 -11.469 1.00 0.01 C ATOM 318 CD GLU A 24 -2.851 -5.896 -12.734 1.00 0.01 C ATOM 319 OE1 GLU A 24 -4.001 -6.301 -12.785 1.00 0.00 O ATOM 320 OE2 GLU A 24 -2.035 -6.047 -13.627 1.00 0.01 O ATOM 0 H GLU A 24 -5.029 -5.024 -8.471 1.00 0.01 H new ATOM 0 HA GLU A 24 -2.206 -4.942 -8.785 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -3.857 -6.179 -10.234 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -4.417 -4.648 -10.876 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -2.114 -4.141 -11.711 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -1.529 -5.652 -11.042 1.00 0.01 H new ATOM 327 N CYS A 25 -3.791 -2.160 -9.517 1.00 0.01 N ATOM 328 CA CYS A 25 -3.537 -0.724 -9.798 1.00 0.01 C ATOM 329 C CYS A 25 -3.128 -0.043 -8.500 1.00 0.01 C ATOM 330 O CYS A 25 -2.313 0.859 -8.490 1.00 0.00 O ATOM 331 CB CYS A 25 -4.808 -0.070 -10.324 1.00 0.01 C ATOM 332 SG CYS A 25 -4.546 1.715 -10.419 1.00 0.00 S ATOM 0 H CYS A 25 -4.769 -2.412 -9.370 1.00 0.01 H new ATOM 0 HA CYS A 25 -2.748 -0.628 -10.544 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -5.058 -0.468 -11.307 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.648 -0.294 -9.666 1.00 0.01 H new ATOM 0 HG CYS A 25 -3.452 2.027 -9.789 1.00 0.00 H new ATOM 338 N GLY A 26 -3.665 -0.480 -7.398 1.00 0.01 N ATOM 339 CA GLY A 26 -3.275 0.135 -6.108 1.00 0.01 C ATOM 340 C GLY A 26 -1.776 -0.063 -5.938 1.00 0.01 C ATOM 341 O GLY A 26 -1.062 0.842 -5.590 1.00 0.01 O ATOM 0 H GLY A 26 -4.352 -1.231 -7.337 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -3.524 1.196 -6.099 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -3.818 -0.327 -5.284 1.00 0.01 H new ATOM 345 N LEU A 27 -1.295 -1.243 -6.203 1.00 0.01 N ATOM 346 CA LEU A 27 0.168 -1.488 -6.083 1.00 0.00 C ATOM 347 C LEU A 27 0.911 -0.551 -7.030 1.00 0.00 C ATOM 348 O LEU A 27 1.840 0.129 -6.649 1.00 0.00 O ATOM 349 CB LEU A 27 0.475 -2.936 -6.467 1.00 0.00 C ATOM 350 CG LEU A 27 -0.046 -3.897 -5.390 1.00 0.00 C ATOM 351 CD1 LEU A 27 0.035 -5.328 -5.925 1.00 0.00 C ATOM 352 CD2 LEU A 27 0.806 -3.781 -4.109 1.00 0.01 C ATOM 0 H LEU A 27 -1.849 -2.047 -6.497 1.00 0.01 H new ATOM 0 HA LEU A 27 0.486 -1.307 -5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.014 -3.170 -7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.550 -3.066 -6.590 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.078 -3.642 -5.148 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.333 -6.021 -5.168 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.575 -5.415 -6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.071 -5.569 -6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.424 -4.469 -3.354 1.00 0.01 H new ATOM 0 HD22 LEU A 27 1.842 -4.032 -4.337 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.755 -2.761 -3.729 1.00 0.01 H new ATOM 364 N ALA A 28 0.507 -0.510 -8.268 1.00 0.00 N ATOM 365 CA ALA A 28 1.192 0.385 -9.237 1.00 0.00 C ATOM 366 C ALA A 28 1.079 1.831 -8.759 1.00 0.01 C ATOM 367 O ALA A 28 2.051 2.556 -8.693 1.00 0.00 O ATOM 368 CB ALA A 28 0.539 0.242 -10.612 1.00 0.00 C ATOM 0 H ALA A 28 -0.266 -1.056 -8.649 1.00 0.00 H new ATOM 0 HA ALA A 28 2.244 0.110 -9.309 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.041 0.898 -11.323 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.624 -0.791 -10.949 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.514 0.517 -10.545 1.00 0.00 H new ATOM 374 N ALA A 29 -0.107 2.255 -8.423 1.00 0.00 N ATOM 375 CA ALA A 29 -0.292 3.652 -7.947 1.00 0.01 C ATOM 376 C ALA A 29 0.350 3.815 -6.569 1.00 0.00 C ATOM 377 O ALA A 29 1.010 4.794 -6.290 1.00 0.00 O ATOM 378 CB ALA A 29 -1.789 3.952 -7.844 1.00 0.01 C ATOM 0 H ALA A 29 -0.957 1.693 -8.458 1.00 0.00 H new ATOM 0 HA ALA A 29 0.178 4.341 -8.649 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -1.932 4.975 -7.495 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.252 3.834 -8.824 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.251 3.261 -7.139 1.00 0.01 H new ATOM 384 N PHE A 30 0.151 2.860 -5.704 1.00 0.00 N ATOM 385 CA PHE A 30 0.728 2.946 -4.335 1.00 0.00 C ATOM 386 C PHE A 30 2.253 3.036 -4.402 1.00 0.00 C ATOM 387 O PHE A 30 2.858 3.885 -3.780 1.00 0.00 O ATOM 388 CB PHE A 30 0.326 1.719 -3.520 1.00 0.00 C ATOM 389 CG PHE A 30 0.937 1.818 -2.140 1.00 0.00 C ATOM 390 CD1 PHE A 30 0.557 2.857 -1.280 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.882 0.874 -1.717 1.00 0.00 C ATOM 392 CE1 PHE A 30 1.120 2.953 -0.005 1.00 0.00 C ATOM 393 CE2 PHE A 30 2.444 0.975 -0.440 1.00 0.00 C ATOM 394 CZ PHE A 30 2.064 2.012 0.414 1.00 0.00 C ATOM 0 H PHE A 30 -0.392 2.016 -5.889 1.00 0.00 H new ATOM 0 HA PHE A 30 0.341 3.844 -3.854 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.760 1.656 -3.447 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.665 0.810 -4.017 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.172 3.585 -1.603 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.176 0.070 -2.376 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.826 3.754 0.657 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.174 0.249 -0.114 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.500 2.087 1.399 1.00 0.00 H new ATOM 404 N LYS A 31 2.884 2.168 -5.146 1.00 0.00 N ATOM 405 CA LYS A 31 4.368 2.221 -5.232 1.00 0.00 C ATOM 406 C LYS A 31 4.772 3.582 -5.785 1.00 0.00 C ATOM 407 O LYS A 31 5.692 4.216 -5.304 1.00 0.00 O ATOM 408 CB LYS A 31 4.857 1.106 -6.162 1.00 0.00 C ATOM 409 CG LYS A 31 4.639 -0.243 -5.477 1.00 0.00 C ATOM 410 CD LYS A 31 5.042 -1.381 -6.419 1.00 0.00 C ATOM 411 CE LYS A 31 4.784 -2.726 -5.734 1.00 0.01 C ATOM 412 NZ LYS A 31 4.807 -3.819 -6.747 1.00 0.00 N ATOM 0 H LYS A 31 2.439 1.431 -5.693 1.00 0.00 H new ATOM 0 HA LYS A 31 4.814 2.081 -4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.316 1.140 -7.108 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.913 1.245 -6.394 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.227 -0.294 -4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.593 -0.350 -5.191 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.473 -1.318 -7.347 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.095 -1.292 -6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.542 -2.908 -4.972 1.00 0.01 H new ATOM 0 HE3 LYS A 31 3.819 -2.708 -5.227 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 4.631 -4.731 -6.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.069 -3.648 -7.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.737 -3.842 -7.212 1.00 0.00 H new ATOM 426 N ALA A 32 4.066 4.060 -6.768 1.00 0.00 N ATOM 427 CA ALA A 32 4.385 5.399 -7.320 1.00 0.00 C ATOM 428 C ALA A 32 4.010 6.439 -6.265 1.00 0.01 C ATOM 429 O ALA A 32 4.691 7.423 -6.068 1.00 0.00 O ATOM 430 CB ALA A 32 3.570 5.637 -8.592 1.00 0.00 C ATOM 0 H ALA A 32 3.283 3.581 -7.212 1.00 0.00 H new ATOM 0 HA ALA A 32 5.444 5.470 -7.566 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.806 6.621 -8.996 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.816 4.873 -9.330 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.507 5.586 -8.358 1.00 0.00 H new ATOM 436 N PHE A 33 2.920 6.213 -5.586 1.00 0.00 N ATOM 437 CA PHE A 33 2.472 7.163 -4.533 1.00 0.00 C ATOM 438 C PHE A 33 3.543 7.285 -3.450 1.00 0.00 C ATOM 439 O PHE A 33 3.865 8.366 -3.001 1.00 0.00 O ATOM 440 CB PHE A 33 1.194 6.636 -3.900 1.00 0.00 C ATOM 441 CG PHE A 33 0.612 7.686 -3.003 1.00 0.00 C ATOM 442 CD1 PHE A 33 -0.286 8.613 -3.526 1.00 0.00 C ATOM 443 CD2 PHE A 33 0.961 7.728 -1.651 1.00 0.00 C ATOM 444 CE1 PHE A 33 -0.837 9.588 -2.700 1.00 0.01 C ATOM 445 CE2 PHE A 33 0.410 8.705 -0.821 1.00 0.00 C ATOM 446 CZ PHE A 33 -0.492 9.636 -1.348 1.00 0.00 C ATOM 0 H PHE A 33 2.315 5.402 -5.718 1.00 0.00 H new ATOM 0 HA PHE A 33 2.298 8.140 -4.983 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.476 6.366 -4.675 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.404 5.731 -3.330 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.554 8.575 -4.571 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.656 7.006 -1.249 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.532 10.308 -3.105 1.00 0.01 H new ATOM 0 HE2 PHE A 33 0.679 8.743 0.224 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.922 10.393 -0.708 1.00 0.00 H new ATOM 456 N LEU A 34 4.091 6.184 -3.022 1.00 0.00 N ATOM 457 CA LEU A 34 5.137 6.240 -1.965 1.00 0.00 C ATOM 458 C LEU A 34 6.300 7.076 -2.482 1.00 0.00 C ATOM 459 O LEU A 34 6.881 7.867 -1.765 1.00 0.00 O ATOM 460 CB LEU A 34 5.642 4.833 -1.643 1.00 0.00 C ATOM 461 CG LEU A 34 4.560 4.008 -0.926 1.00 0.00 C ATOM 462 CD1 LEU A 34 5.075 2.568 -0.713 1.00 0.00 C ATOM 463 CD2 LEU A 34 4.211 4.653 0.434 1.00 0.00 C ATOM 0 H LEU A 34 3.861 5.249 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 34 4.716 6.680 -1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.937 4.330 -2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.531 4.897 -1.015 1.00 0.00 H new ATOM 0 HG LEU A 34 3.659 3.984 -1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.311 1.980 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.299 2.115 -1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.979 2.591 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.444 4.060 0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.103 4.690 1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.839 5.665 0.272 1.00 0.00 H new ATOM 475 N LYS A 35 6.636 6.916 -3.729 1.00 0.00 N ATOM 476 CA LYS A 35 7.753 7.711 -4.295 1.00 0.00 C ATOM 477 C LYS A 35 7.432 9.187 -4.079 1.00 0.01 C ATOM 478 O LYS A 35 8.287 9.976 -3.729 1.00 0.00 O ATOM 479 CB LYS A 35 7.876 7.422 -5.790 1.00 0.00 C ATOM 480 CG LYS A 35 9.103 8.135 -6.351 1.00 0.00 C ATOM 481 CD LYS A 35 9.198 7.862 -7.852 1.00 0.00 C ATOM 482 CE LYS A 35 10.559 8.326 -8.371 1.00 0.00 C ATOM 483 NZ LYS A 35 11.637 7.577 -7.667 1.00 0.01 N ATOM 0 H LYS A 35 6.186 6.271 -4.378 1.00 0.00 H new ATOM 0 HA LYS A 35 8.694 7.453 -3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.959 6.348 -5.957 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.979 7.757 -6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.031 9.207 -6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.004 7.785 -5.847 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.066 6.798 -8.048 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.399 8.384 -8.378 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.627 8.159 -9.446 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.678 9.397 -8.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.478 7.523 -8.277 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 11.881 8.068 -6.783 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 11.306 6.616 -7.448 1.00 0.01 H new ATOM 497 N SER A 36 6.192 9.560 -4.257 1.00 0.00 N ATOM 498 CA SER A 36 5.805 10.977 -4.030 1.00 0.00 C ATOM 499 C SER A 36 6.080 11.311 -2.565 1.00 0.00 C ATOM 500 O SER A 36 6.359 12.440 -2.213 1.00 0.00 O ATOM 501 CB SER A 36 4.317 11.160 -4.333 1.00 0.00 C ATOM 502 OG SER A 36 4.035 10.649 -5.628 1.00 0.00 O ATOM 0 H SER A 36 5.434 8.943 -4.549 1.00 0.00 H new ATOM 0 HA SER A 36 6.376 11.637 -4.683 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.716 10.642 -3.586 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.051 12.216 -4.280 1.00 0.00 H new ATOM 0 HG SER A 36 3.082 10.763 -5.824 1.00 0.00 H new ATOM 508 N GLU A 37 6.017 10.320 -1.709 1.00 0.00 N ATOM 509 CA GLU A 37 6.291 10.540 -0.255 1.00 0.00 C ATOM 510 C GLU A 37 7.680 9.994 0.074 1.00 0.00 C ATOM 511 O GLU A 37 8.095 9.957 1.215 1.00 0.00 O ATOM 512 CB GLU A 37 5.250 9.801 0.592 1.00 0.00 C ATOM 513 CG GLU A 37 3.900 10.511 0.487 1.00 0.00 C ATOM 514 CD GLU A 37 2.867 9.770 1.338 1.00 0.01 C ATOM 515 OE1 GLU A 37 3.177 8.682 1.796 1.00 0.00 O ATOM 516 OE2 GLU A 37 1.793 10.314 1.534 1.00 0.00 O ATOM 0 H GLU A 37 5.785 9.359 -1.959 1.00 0.00 H new ATOM 0 HA GLU A 37 6.241 11.606 -0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.156 8.770 0.252 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.573 9.765 1.632 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.993 11.543 0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.574 10.544 -0.553 1.00 0.00 H new ATOM 523 N TYR A 38 8.403 9.575 -0.928 1.00 0.00 N ATOM 524 CA TYR A 38 9.771 9.036 -0.699 1.00 0.00 C ATOM 525 C TYR A 38 9.725 7.936 0.357 1.00 0.00 C ATOM 526 O TYR A 38 10.597 7.837 1.198 1.00 0.00 O ATOM 527 CB TYR A 38 10.680 10.161 -0.219 1.00 0.00 C ATOM 528 CG TYR A 38 10.626 11.293 -1.212 1.00 0.00 C ATOM 529 CD1 TYR A 38 11.365 11.218 -2.397 1.00 0.00 C ATOM 530 CD2 TYR A 38 9.829 12.414 -0.952 1.00 0.00 C ATOM 531 CE1 TYR A 38 11.309 12.265 -3.323 1.00 0.00 C ATOM 532 CE2 TYR A 38 9.772 13.460 -1.877 1.00 0.00 C ATOM 533 CZ TYR A 38 10.512 13.385 -3.062 1.00 0.01 C ATOM 534 OH TYR A 38 10.452 14.416 -3.976 1.00 0.00 O ATOM 0 H TYR A 38 8.101 9.584 -1.902 1.00 0.00 H new ATOM 0 HA TYR A 38 10.156 8.622 -1.631 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.363 10.508 0.765 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.703 9.800 -0.115 1.00 0.00 H new ATOM 0 HD1 TYR A 38 11.979 10.352 -2.597 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.258 12.471 -0.037 1.00 0.00 H new ATOM 0 HE1 TYR A 38 11.880 12.209 -4.238 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.157 14.325 -1.677 1.00 0.00 H new ATOM 0 HH TYR A 38 9.853 15.115 -3.641 1.00 0.00 H new ATOM 544 N SER A 39 8.716 7.109 0.314 1.00 0.00 N ATOM 545 CA SER A 39 8.591 5.997 1.303 1.00 0.00 C ATOM 546 C SER A 39 8.556 4.674 0.531 1.00 0.00 C ATOM 547 O SER A 39 7.849 3.747 0.872 1.00 0.00 O ATOM 548 CB SER A 39 7.300 6.202 2.108 1.00 0.00 C ATOM 549 OG SER A 39 6.771 4.946 2.508 1.00 0.00 O ATOM 0 H SER A 39 7.963 7.156 -0.372 1.00 0.00 H new ATOM 0 HA SER A 39 9.433 5.981 1.995 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.503 6.816 2.985 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.567 6.739 1.505 1.00 0.00 H new ATOM 0 HG SER A 39 6.809 4.320 1.755 1.00 0.00 H new ATOM 555 N GLU A 40 9.327 4.588 -0.521 1.00 0.00 N ATOM 556 CA GLU A 40 9.351 3.338 -1.330 1.00 0.00 C ATOM 557 C GLU A 40 10.008 2.226 -0.516 1.00 0.00 C ATOM 558 O GLU A 40 9.792 1.058 -0.752 1.00 0.00 O ATOM 559 CB GLU A 40 10.148 3.573 -2.612 1.00 0.00 C ATOM 560 CG GLU A 40 11.590 3.947 -2.260 1.00 0.00 C ATOM 561 CD GLU A 40 12.335 4.354 -3.532 1.00 0.00 C ATOM 562 OE1 GLU A 40 11.764 5.093 -4.318 1.00 0.00 O ATOM 563 OE2 GLU A 40 13.460 3.916 -3.702 1.00 0.00 O ATOM 0 H GLU A 40 9.941 5.331 -0.854 1.00 0.00 H new ATOM 0 HA GLU A 40 8.332 3.050 -1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.135 2.675 -3.230 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.688 4.369 -3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.600 4.767 -1.542 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.091 3.103 -1.787 1.00 0.00 H new ATOM 570 N GLU A 41 10.805 2.573 0.450 1.00 0.00 N ATOM 571 CA GLU A 41 11.445 1.516 1.268 1.00 0.00 C ATOM 572 C GLU A 41 10.347 0.759 2.025 1.00 0.00 C ATOM 573 O GLU A 41 10.476 -0.414 2.312 1.00 0.00 O ATOM 574 CB GLU A 41 12.449 2.140 2.252 1.00 0.00 C ATOM 575 CG GLU A 41 11.793 3.284 3.042 1.00 0.00 C ATOM 576 CD GLU A 41 11.854 4.582 2.229 1.00 0.00 C ATOM 577 OE1 GLU A 41 12.161 4.505 1.049 1.00 0.00 O ATOM 578 OE2 GLU A 41 11.602 5.629 2.800 1.00 0.00 O ATOM 0 H GLU A 41 11.039 3.532 0.706 1.00 0.00 H new ATOM 0 HA GLU A 41 11.992 0.825 0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.813 1.378 2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.314 2.517 1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.756 3.034 3.267 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.303 3.418 3.996 1.00 0.00 H new ATOM 585 N ASN A 42 9.266 1.424 2.345 1.00 0.00 N ATOM 586 CA ASN A 42 8.160 0.743 3.078 1.00 0.00 C ATOM 587 C ASN A 42 7.604 -0.426 2.260 1.00 0.00 C ATOM 588 O ASN A 42 7.424 -1.510 2.779 1.00 0.00 O ATOM 589 CB ASN A 42 7.036 1.738 3.378 1.00 0.00 C ATOM 590 CG ASN A 42 7.488 2.693 4.484 1.00 0.00 C ATOM 591 OD1 ASN A 42 8.409 2.398 5.219 1.00 0.00 O ATOM 592 ND2 ASN A 42 6.862 3.826 4.646 1.00 0.00 N ATOM 0 H ASN A 42 9.103 2.408 2.130 1.00 0.00 H new ATOM 0 HA ASN A 42 8.562 0.356 4.014 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.782 2.299 2.479 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.136 1.206 3.687 1.00 0.00 H new ATOM 0 HD21 ASN A 42 7.146 4.464 5.390 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.089 4.074 4.029 1.00 0.00 H new ATOM 599 N ILE A 43 7.329 -0.243 0.989 1.00 0.00 N ATOM 600 CA ILE A 43 6.792 -1.395 0.207 1.00 0.00 C ATOM 601 C ILE A 43 7.907 -2.433 0.051 1.00 0.00 C ATOM 602 O ILE A 43 7.679 -3.618 0.175 1.00 0.00 O ATOM 603 CB ILE A 43 6.244 -0.946 -1.163 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.650 -2.156 -1.911 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.351 -0.323 -2.014 1.00 0.00 C ATOM 606 CD1 ILE A 43 4.375 -2.660 -1.216 1.00 0.00 C ATOM 0 H ILE A 43 7.450 0.629 0.474 1.00 0.00 H new ATOM 0 HA ILE A 43 5.951 -1.837 0.742 1.00 0.00 H new ATOM 0 HB ILE A 43 5.469 -0.199 -0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.422 -1.876 -2.939 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.386 -2.959 -1.955 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.941 -0.014 -2.975 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.761 0.545 -1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.142 -1.056 -2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.976 -3.514 -1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.612 -2.961 -0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.632 -1.863 -1.196 1.00 0.00 H new ATOM 618 N ASP A 44 9.121 -2.005 -0.180 1.00 0.00 N ATOM 619 CA ASP A 44 10.227 -2.996 -0.291 1.00 0.00 C ATOM 620 C ASP A 44 10.333 -3.702 1.056 1.00 0.00 C ATOM 621 O ASP A 44 10.503 -4.904 1.139 1.00 0.00 O ATOM 622 CB ASP A 44 11.542 -2.277 -0.613 1.00 0.00 C ATOM 623 CG ASP A 44 11.496 -1.746 -2.047 1.00 0.00 C ATOM 624 OD1 ASP A 44 10.822 -2.356 -2.861 1.00 0.00 O ATOM 625 OD2 ASP A 44 12.136 -0.741 -2.307 1.00 0.00 O ATOM 0 H ASP A 44 9.390 -1.028 -0.295 1.00 0.00 H new ATOM 0 HA ASP A 44 10.030 -3.712 -1.089 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.700 -1.455 0.085 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.382 -2.962 -0.494 1.00 0.00 H new ATOM 630 N PHE A 45 10.197 -2.952 2.115 1.00 0.00 N ATOM 631 CA PHE A 45 10.244 -3.537 3.481 1.00 0.00 C ATOM 632 C PHE A 45 9.033 -4.465 3.647 1.00 0.00 C ATOM 633 O PHE A 45 9.123 -5.537 4.213 1.00 0.00 O ATOM 634 CB PHE A 45 10.188 -2.390 4.497 1.00 0.00 C ATOM 635 CG PHE A 45 10.251 -2.918 5.910 1.00 0.00 C ATOM 636 CD1 PHE A 45 11.491 -3.225 6.485 1.00 0.00 C ATOM 637 CD2 PHE A 45 9.076 -3.088 6.650 1.00 0.00 C ATOM 638 CE1 PHE A 45 11.554 -3.701 7.798 1.00 0.00 C ATOM 639 CE2 PHE A 45 9.140 -3.563 7.967 1.00 0.00 C ATOM 640 CZ PHE A 45 10.380 -3.871 8.539 1.00 0.00 C ATOM 0 H PHE A 45 10.053 -1.943 2.089 1.00 0.00 H new ATOM 0 HA PHE A 45 11.158 -4.109 3.639 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.017 -1.704 4.323 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.269 -1.820 4.358 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.398 -3.094 5.914 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.120 -2.853 6.206 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.510 -3.938 8.241 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.234 -3.691 8.540 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.430 -4.240 9.553 1.00 0.00 H new ATOM 650 N TRP A 46 7.903 -4.050 3.136 1.00 0.00 N ATOM 651 CA TRP A 46 6.663 -4.880 3.229 1.00 0.00 C ATOM 652 C TRP A 46 6.901 -6.219 2.528 1.00 0.00 C ATOM 653 O TRP A 46 6.498 -7.260 3.005 1.00 0.00 O ATOM 654 CB TRP A 46 5.529 -4.129 2.526 1.00 0.00 C ATOM 655 CG TRP A 46 4.242 -4.883 2.621 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.396 -4.838 3.673 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.624 -5.763 1.636 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.301 -5.638 3.402 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.395 -6.230 2.161 1.00 0.00 C ATOM 660 CE3 TRP A 46 4.006 -6.200 0.354 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.573 -7.098 1.440 1.00 0.00 C ATOM 662 CZ3 TRP A 46 3.181 -7.075 -0.374 1.00 0.00 C ATOM 663 CH2 TRP A 46 1.967 -7.522 0.168 1.00 0.00 C ATOM 0 H TRP A 46 7.785 -3.160 2.652 1.00 0.00 H new ATOM 0 HA TRP A 46 6.403 -5.062 4.272 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.410 -3.143 2.974 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.786 -3.974 1.478 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.550 -4.270 4.578 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.519 -5.773 4.043 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.938 -5.861 -0.073 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.639 -7.439 1.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.484 -7.405 -1.357 1.00 0.00 H new ATOM 0 HH2 TRP A 46 1.337 -8.193 -0.397 1.00 0.00 H new ATOM 674 N ILE A 47 7.564 -6.201 1.402 1.00 0.00 N ATOM 675 CA ILE A 47 7.833 -7.476 0.679 1.00 0.00 C ATOM 676 C ILE A 47 8.709 -8.359 1.567 1.00 0.00 C ATOM 677 O ILE A 47 8.516 -9.555 1.652 1.00 0.00 O ATOM 678 CB ILE A 47 8.547 -7.184 -0.649 1.00 0.00 C ATOM 679 CG1 ILE A 47 7.580 -6.465 -1.598 1.00 0.00 C ATOM 680 CG2 ILE A 47 9.002 -8.499 -1.292 1.00 0.00 C ATOM 681 CD1 ILE A 47 8.339 -5.960 -2.831 1.00 0.00 C ATOM 0 H ILE A 47 7.929 -5.361 0.954 1.00 0.00 H new ATOM 0 HA ILE A 47 6.896 -7.987 0.459 1.00 0.00 H new ATOM 0 HB ILE A 47 9.416 -6.554 -0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.784 -7.144 -1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.106 -5.629 -1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.508 -8.287 -2.234 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.688 -9.015 -0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.134 -9.131 -1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.647 -5.450 -3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.119 -5.266 -2.519 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.792 -6.804 -3.351 1.00 0.00 H new ATOM 693 N SER A 48 9.666 -7.777 2.237 1.00 0.00 N ATOM 694 CA SER A 48 10.540 -8.586 3.129 1.00 0.00 C ATOM 695 C SER A 48 9.713 -9.097 4.311 1.00 0.00 C ATOM 696 O SER A 48 9.856 -10.224 4.741 1.00 0.00 O ATOM 697 CB SER A 48 11.685 -7.714 3.644 1.00 0.00 C ATOM 698 OG SER A 48 11.161 -6.722 4.519 1.00 0.00 O ATOM 0 H SER A 48 9.879 -6.780 2.205 1.00 0.00 H new ATOM 0 HA SER A 48 10.950 -9.431 2.577 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.418 -8.328 4.168 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.203 -7.242 2.809 1.00 0.00 H new ATOM 0 HG SER A 48 10.352 -6.333 4.125 1.00 0.00 H new ATOM 704 N CYS A 49 8.844 -8.275 4.837 1.00 0.00 N ATOM 705 CA CYS A 49 8.002 -8.714 5.987 1.00 0.00 C ATOM 706 C CYS A 49 7.041 -9.807 5.529 1.00 0.00 C ATOM 707 O CYS A 49 6.857 -10.806 6.196 1.00 0.01 O ATOM 708 CB CYS A 49 7.197 -7.531 6.519 1.00 0.00 C ATOM 709 SG CYS A 49 8.296 -6.119 6.774 1.00 0.01 S ATOM 0 H CYS A 49 8.681 -7.319 4.520 1.00 0.00 H new ATOM 0 HA CYS A 49 8.649 -9.099 6.776 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.408 -7.268 5.814 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.711 -7.801 7.456 1.00 0.00 H new ATOM 0 HG CYS A 49 8.806 -5.755 5.635 1.00 0.01 H new ATOM 715 N GLU A 50 6.424 -9.628 4.392 1.00 0.00 N ATOM 716 CA GLU A 50 5.474 -10.663 3.899 1.00 0.00 C ATOM 717 C GLU A 50 6.227 -11.981 3.738 1.00 0.01 C ATOM 718 O GLU A 50 5.777 -13.014 4.188 1.00 0.00 O ATOM 719 CB GLU A 50 4.895 -10.233 2.548 1.00 0.01 C ATOM 720 CG GLU A 50 3.943 -9.050 2.746 1.00 0.00 C ATOM 721 CD GLU A 50 2.676 -9.526 3.460 1.00 0.01 C ATOM 722 OE1 GLU A 50 2.412 -10.717 3.424 1.00 0.00 O ATOM 723 OE2 GLU A 50 1.990 -8.691 4.027 1.00 0.01 O ATOM 0 H GLU A 50 6.536 -8.814 3.787 1.00 0.00 H new ATOM 0 HA GLU A 50 4.657 -10.785 4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.701 -9.954 1.869 1.00 0.01 H new ATOM 0 HB3 GLU A 50 4.364 -11.066 2.088 1.00 0.01 H new ATOM 0 HG2 GLU A 50 4.432 -8.271 3.331 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.686 -8.611 1.782 1.00 0.00 H new ATOM 730 N GLU A 51 7.382 -11.960 3.133 1.00 0.01 N ATOM 731 CA GLU A 51 8.145 -13.227 2.996 1.00 0.00 C ATOM 732 C GLU A 51 8.424 -13.747 4.404 1.00 0.01 C ATOM 733 O GLU A 51 8.338 -14.926 4.680 1.00 0.00 O ATOM 734 CB GLU A 51 9.474 -12.961 2.284 1.00 0.00 C ATOM 735 CG GLU A 51 9.223 -12.621 0.814 1.00 0.00 C ATOM 736 CD GLU A 51 10.562 -12.358 0.120 1.00 0.00 C ATOM 737 OE1 GLU A 51 11.571 -12.361 0.805 1.00 0.01 O ATOM 738 OE2 GLU A 51 10.555 -12.154 -1.081 1.00 0.00 O ATOM 0 H GLU A 51 7.824 -11.132 2.733 1.00 0.01 H new ATOM 0 HA GLU A 51 7.577 -13.953 2.415 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.998 -12.139 2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.117 -13.838 2.358 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.701 -13.442 0.323 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.581 -11.743 0.736 1.00 0.00 H new ATOM 745 N TYR A 52 8.744 -12.854 5.299 1.00 0.00 N ATOM 746 CA TYR A 52 9.026 -13.251 6.705 1.00 0.01 C ATOM 747 C TYR A 52 7.742 -13.805 7.341 1.00 0.01 C ATOM 748 O TYR A 52 7.766 -14.785 8.057 1.00 0.01 O ATOM 749 CB TYR A 52 9.496 -12.016 7.480 1.00 0.00 C ATOM 750 CG TYR A 52 10.039 -12.426 8.827 1.00 0.01 C ATOM 751 CD1 TYR A 52 9.162 -12.695 9.880 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.423 -12.531 9.021 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.667 -13.071 11.129 1.00 0.01 C ATOM 754 CE2 TYR A 52 11.927 -12.906 10.273 1.00 0.00 C ATOM 755 CZ TYR A 52 11.048 -13.177 11.326 1.00 0.01 C ATOM 756 OH TYR A 52 11.545 -13.549 12.558 1.00 0.01 O ATOM 0 H TYR A 52 8.823 -11.854 5.113 1.00 0.00 H new ATOM 0 HA TYR A 52 9.800 -14.018 6.732 1.00 0.01 H new ATOM 0 HB2 TYR A 52 10.265 -11.492 6.913 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.667 -11.321 7.610 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.096 -12.613 9.730 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.100 -12.323 8.206 1.00 0.01 H new ATOM 0 HE1 TYR A 52 8.989 -13.280 11.943 1.00 0.01 H new ATOM 0 HE2 TYR A 52 12.993 -12.986 10.425 1.00 0.00 H new ATOM 0 HH TYR A 52 10.802 -13.701 13.178 1.00 0.01 H new ATOM 766 N LYS A 53 6.621 -13.174 7.085 1.00 0.01 N ATOM 767 CA LYS A 53 5.332 -13.652 7.675 1.00 0.01 C ATOM 768 C LYS A 53 4.900 -14.980 7.043 1.00 0.01 C ATOM 769 O LYS A 53 4.122 -15.717 7.616 1.00 0.01 O ATOM 770 CB LYS A 53 4.229 -12.614 7.447 1.00 0.01 C ATOM 771 CG LYS A 53 4.467 -11.394 8.338 1.00 0.00 C ATOM 772 CD LYS A 53 3.337 -10.384 8.112 1.00 0.00 C ATOM 773 CE LYS A 53 3.417 -9.262 9.153 1.00 0.01 C ATOM 774 NZ LYS A 53 2.800 -9.726 10.429 1.00 0.00 N ATOM 0 H LYS A 53 6.544 -12.348 6.492 1.00 0.01 H new ATOM 0 HA LYS A 53 5.489 -13.798 8.744 1.00 0.01 H new ATOM 0 HB2 LYS A 53 4.213 -12.312 6.400 1.00 0.01 H new ATOM 0 HB3 LYS A 53 3.255 -13.051 7.668 1.00 0.01 H new ATOM 0 HG2 LYS A 53 4.501 -11.693 9.386 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.430 -10.940 8.105 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.409 -9.965 7.108 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.372 -10.885 8.180 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.456 -8.979 9.320 1.00 0.01 H new ATOM 0 HE3 LYS A 53 2.900 -8.374 8.788 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 2.792 -8.944 11.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.825 -10.039 10.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.353 -10.519 10.814 1.00 0.00 H new ATOM 788 N LYS A 54 5.380 -15.295 5.870 1.00 0.00 N ATOM 789 CA LYS A 54 4.968 -16.579 5.224 1.00 0.01 C ATOM 790 C LYS A 54 5.867 -17.710 5.712 1.00 0.01 C ATOM 791 O LYS A 54 5.461 -18.853 5.771 1.00 0.01 O ATOM 792 CB LYS A 54 5.088 -16.446 3.705 1.00 0.01 C ATOM 793 CG LYS A 54 3.998 -15.505 3.189 1.00 0.01 C ATOM 794 CD LYS A 54 4.118 -15.372 1.670 1.00 0.00 C ATOM 795 CE LYS A 54 3.028 -14.430 1.157 1.00 0.01 C ATOM 796 NZ LYS A 54 3.117 -13.128 1.874 1.00 0.01 N ATOM 0 H LYS A 54 6.034 -14.726 5.333 1.00 0.00 H new ATOM 0 HA LYS A 54 3.934 -16.803 5.488 1.00 0.01 H new ATOM 0 HB2 LYS A 54 6.072 -16.060 3.439 1.00 0.01 H new ATOM 0 HB3 LYS A 54 4.992 -17.425 3.235 1.00 0.01 H new ATOM 0 HG2 LYS A 54 3.014 -15.891 3.455 1.00 0.01 H new ATOM 0 HG3 LYS A 54 4.094 -14.526 3.659 1.00 0.01 H new ATOM 0 HD2 LYS A 54 5.102 -14.987 1.404 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.021 -16.350 1.199 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.142 -14.275 0.084 1.00 0.01 H new ATOM 0 HE3 LYS A 54 2.045 -14.876 1.312 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 2.982 -12.349 1.198 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 2.379 -13.083 2.605 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 4.052 -13.041 2.320 1.00 0.01 H new ATOM 810 N ILE A 55 7.075 -17.405 6.087 1.00 0.01 N ATOM 811 CA ILE A 55 7.974 -18.473 6.594 1.00 0.01 C ATOM 812 C ILE A 55 7.490 -18.900 7.977 1.00 0.00 C ATOM 813 O ILE A 55 7.472 -18.118 8.907 1.00 0.01 O ATOM 814 CB ILE A 55 9.401 -17.939 6.693 1.00 0.01 C ATOM 815 CG1 ILE A 55 9.934 -17.656 5.291 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.296 -18.977 7.376 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.205 -16.818 5.401 1.00 0.01 C ATOM 0 H ILE A 55 7.477 -16.468 6.065 1.00 0.01 H new ATOM 0 HA ILE A 55 7.961 -19.325 5.914 1.00 0.01 H new ATOM 0 HB ILE A 55 9.402 -17.020 7.279 1.00 0.01 H new ATOM 0 HG12 ILE A 55 10.144 -18.591 4.772 1.00 0.01 H new ATOM 0 HG13 ILE A 55 9.184 -17.127 4.703 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.313 -18.592 7.444 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.917 -19.181 8.377 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.295 -19.898 6.793 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.592 -16.612 4.403 1.00 0.01 H new ATOM 0 HD12 ILE A 55 10.979 -15.878 5.904 1.00 0.01 H new ATOM 0 HD13 ILE A 55 11.953 -17.365 5.974 1.00 0.01 H new ATOM 829 N LYS A 56 7.097 -20.136 8.122 1.00 0.01 N ATOM 830 CA LYS A 56 6.609 -20.624 9.447 1.00 0.01 C ATOM 831 C LYS A 56 7.740 -21.368 10.151 1.00 0.01 C ATOM 832 O LYS A 56 7.584 -21.872 11.245 1.00 0.01 O ATOM 833 CB LYS A 56 5.426 -21.565 9.227 1.00 0.01 C ATOM 834 CG LYS A 56 4.274 -20.785 8.587 1.00 0.01 C ATOM 835 CD LYS A 56 3.085 -21.719 8.364 1.00 0.00 C ATOM 836 CE LYS A 56 1.932 -20.942 7.723 1.00 0.00 C ATOM 837 NZ LYS A 56 2.372 -20.383 6.413 1.00 0.00 N ATOM 0 H LYS A 56 7.092 -20.833 7.377 1.00 0.01 H new ATOM 0 HA LYS A 56 6.291 -19.783 10.063 1.00 0.01 H new ATOM 0 HB2 LYS A 56 5.721 -22.395 8.584 1.00 0.01 H new ATOM 0 HB3 LYS A 56 5.107 -21.995 10.176 1.00 0.01 H new ATOM 0 HG2 LYS A 56 3.982 -19.955 9.230 1.00 0.01 H new ATOM 0 HG3 LYS A 56 4.595 -20.355 7.638 1.00 0.01 H new ATOM 0 HD2 LYS A 56 3.378 -22.550 7.722 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.764 -22.148 9.313 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.073 -21.598 7.580 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.611 -20.137 8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.538 -20.159 5.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.925 -19.517 6.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.961 -21.082 5.917 1.00 0.00 H new ATOM 851 N SER A 57 8.885 -21.435 9.525 1.00 0.00 N ATOM 852 CA SER A 57 10.051 -22.136 10.139 1.00 0.01 C ATOM 853 C SER A 57 10.932 -21.095 10.858 1.00 0.01 C ATOM 854 O SER A 57 11.555 -20.281 10.205 1.00 0.00 O ATOM 855 CB SER A 57 10.876 -22.785 9.027 1.00 0.01 C ATOM 856 OG SER A 57 10.125 -23.838 8.437 1.00 0.01 O ATOM 0 H SER A 57 9.064 -21.030 8.606 1.00 0.00 H new ATOM 0 HA SER A 57 9.705 -22.892 10.844 1.00 0.01 H new ATOM 0 HB2 SER A 57 11.138 -22.043 8.273 1.00 0.01 H new ATOM 0 HB3 SER A 57 11.811 -23.172 9.431 1.00 0.01 H new ATOM 0 HG SER A 57 10.651 -24.255 7.723 1.00 0.01 H new ATOM 862 N PRO A 58 11.007 -21.088 12.178 1.00 0.00 N ATOM 863 CA PRO A 58 11.856 -20.075 12.866 1.00 0.01 C ATOM 864 C PRO A 58 13.351 -20.343 12.642 1.00 0.00 C ATOM 865 O PRO A 58 14.200 -19.627 13.135 1.00 0.00 O ATOM 866 CB PRO A 58 11.460 -20.251 14.344 1.00 0.01 C ATOM 867 CG PRO A 58 10.668 -21.564 14.479 1.00 0.01 C ATOM 868 CD PRO A 58 10.284 -22.047 13.066 1.00 0.01 C ATOM 0 HA PRO A 58 11.702 -19.061 12.497 1.00 0.01 H new ATOM 0 HB2 PRO A 58 12.349 -20.277 14.975 1.00 0.01 H new ATOM 0 HB3 PRO A 58 10.856 -19.407 14.678 1.00 0.01 H new ATOM 0 HG2 PRO A 58 11.268 -22.318 14.988 1.00 0.01 H new ATOM 0 HG3 PRO A 58 9.774 -21.407 15.083 1.00 0.01 H new ATOM 0 HD2 PRO A 58 10.599 -23.076 12.891 1.00 0.01 H new ATOM 0 HD3 PRO A 58 9.206 -22.012 12.906 1.00 0.01 H new ATOM 876 N SER A 59 13.673 -21.373 11.907 1.00 0.01 N ATOM 877 CA SER A 59 15.108 -21.697 11.657 1.00 0.01 C ATOM 878 C SER A 59 15.634 -20.904 10.454 1.00 0.01 C ATOM 879 O SER A 59 16.802 -20.580 10.383 1.00 0.01 O ATOM 880 CB SER A 59 15.244 -23.196 11.380 1.00 0.01 C ATOM 881 OG SER A 59 14.581 -23.511 10.163 1.00 0.01 O ATOM 0 H SER A 59 13.004 -22.005 11.468 1.00 0.01 H new ATOM 0 HA SER A 59 15.692 -21.427 12.537 1.00 0.01 H new ATOM 0 HB2 SER A 59 16.297 -23.472 11.316 1.00 0.01 H new ATOM 0 HB3 SER A 59 14.814 -23.770 12.201 1.00 0.01 H new ATOM 0 HG SER A 59 14.668 -24.470 9.982 1.00 0.01 H new ATOM 887 N LYS A 60 14.790 -20.583 9.502 1.00 0.00 N ATOM 888 CA LYS A 60 15.271 -19.810 8.311 1.00 0.00 C ATOM 889 C LYS A 60 15.088 -18.308 8.545 1.00 0.01 C ATOM 890 O LYS A 60 15.626 -17.493 7.824 1.00 0.01 O ATOM 891 CB LYS A 60 14.477 -20.219 7.066 1.00 0.01 C ATOM 892 CG LYS A 60 14.861 -21.643 6.655 1.00 0.01 C ATOM 893 CD LYS A 60 14.175 -22.007 5.330 1.00 0.01 C ATOM 894 CE LYS A 60 12.669 -22.193 5.545 1.00 0.01 C ATOM 895 NZ LYS A 60 12.091 -22.923 4.382 1.00 0.01 N ATOM 0 H LYS A 60 13.798 -20.820 9.497 1.00 0.00 H new ATOM 0 HA LYS A 60 16.328 -20.029 8.162 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.408 -20.165 7.271 1.00 0.01 H new ATOM 0 HB3 LYS A 60 14.681 -19.527 6.249 1.00 0.01 H new ATOM 0 HG2 LYS A 60 15.943 -21.721 6.548 1.00 0.01 H new ATOM 0 HG3 LYS A 60 14.566 -22.347 7.433 1.00 0.01 H new ATOM 0 HD2 LYS A 60 14.350 -21.222 4.594 1.00 0.01 H new ATOM 0 HD3 LYS A 60 14.608 -22.923 4.928 1.00 0.01 H new ATOM 0 HE2 LYS A 60 12.487 -22.749 6.465 1.00 0.01 H new ATOM 0 HE3 LYS A 60 12.184 -21.223 5.658 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 11.069 -23.051 4.525 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 12.253 -22.375 3.513 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 12.547 -23.854 4.295 1.00 0.01 H new ATOM 909 N LEU A 61 14.335 -17.929 9.538 1.00 0.01 N ATOM 910 CA LEU A 61 14.133 -16.472 9.788 1.00 0.01 C ATOM 911 C LEU A 61 15.478 -15.812 10.119 1.00 0.01 C ATOM 912 O LEU A 61 15.760 -14.710 9.695 1.00 0.01 O ATOM 913 CB LEU A 61 13.164 -16.270 10.960 1.00 0.01 C ATOM 914 CG LEU A 61 11.800 -16.908 10.646 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.839 -16.677 11.823 1.00 0.01 C ATOM 916 CD2 LEU A 61 11.205 -16.295 9.363 1.00 0.01 C ATOM 0 H LEU A 61 13.854 -18.556 10.183 1.00 0.01 H new ATOM 0 HA LEU A 61 13.713 -16.015 8.892 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.580 -16.714 11.864 1.00 0.01 H new ATOM 0 HB3 LEU A 61 13.038 -15.205 11.156 1.00 0.01 H new ATOM 0 HG LEU A 61 11.938 -17.978 10.493 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.873 -17.130 11.598 1.00 0.01 H new ATOM 0 HD12 LEU A 61 11.252 -17.131 12.724 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.710 -15.607 11.982 1.00 0.01 H new ATOM 0 HD21 LEU A 61 10.240 -16.756 9.153 1.00 0.01 H new ATOM 0 HD22 LEU A 61 11.072 -15.222 9.500 1.00 0.01 H new ATOM 0 HD23 LEU A 61 11.882 -16.473 8.527 1.00 0.01 H new ATOM 928 N SER A 62 16.305 -16.475 10.882 1.00 0.00 N ATOM 929 CA SER A 62 17.627 -15.884 11.260 1.00 0.01 C ATOM 930 C SER A 62 18.408 -15.393 10.020 1.00 0.01 C ATOM 931 O SER A 62 18.655 -14.211 9.888 1.00 0.01 O ATOM 932 CB SER A 62 18.444 -16.927 12.042 1.00 0.01 C ATOM 933 OG SER A 62 18.289 -16.685 13.435 1.00 0.01 O ATOM 0 H SER A 62 16.124 -17.404 11.262 1.00 0.00 H new ATOM 0 HA SER A 62 17.450 -15.013 11.891 1.00 0.01 H new ATOM 0 HB2 SER A 62 18.106 -17.933 11.794 1.00 0.01 H new ATOM 0 HB3 SER A 62 19.496 -16.867 11.764 1.00 0.01 H new ATOM 0 HG SER A 62 18.805 -17.346 13.941 1.00 0.01 H new ATOM 939 N PRO A 63 18.814 -16.268 9.125 1.00 0.00 N ATOM 940 CA PRO A 63 19.589 -15.837 7.927 1.00 0.00 C ATOM 941 C PRO A 63 19.044 -14.552 7.283 1.00 0.01 C ATOM 942 O PRO A 63 19.736 -13.559 7.186 1.00 0.00 O ATOM 943 CB PRO A 63 19.445 -17.053 6.985 1.00 0.01 C ATOM 944 CG PRO A 63 18.744 -18.189 7.763 1.00 0.01 C ATOM 945 CD PRO A 63 18.546 -17.730 9.220 1.00 0.01 C ATOM 0 HA PRO A 63 20.621 -15.581 8.167 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.865 -16.783 6.102 1.00 0.01 H new ATOM 0 HB3 PRO A 63 20.424 -17.380 6.635 1.00 0.01 H new ATOM 0 HG2 PRO A 63 17.783 -18.425 7.306 1.00 0.01 H new ATOM 0 HG3 PRO A 63 19.345 -19.098 7.730 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.538 -17.937 9.579 1.00 0.01 H new ATOM 0 HD3 PRO A 63 19.236 -18.228 9.902 1.00 0.01 H new ATOM 953 N LYS A 64 17.824 -14.573 6.830 1.00 0.01 N ATOM 954 CA LYS A 64 17.262 -13.359 6.176 1.00 0.01 C ATOM 955 C LYS A 64 16.970 -12.272 7.215 1.00 0.00 C ATOM 956 O LYS A 64 16.950 -11.102 6.898 1.00 0.00 O ATOM 957 CB LYS A 64 15.973 -13.724 5.443 1.00 0.00 C ATOM 958 CG LYS A 64 14.898 -14.124 6.461 1.00 0.01 C ATOM 959 CD LYS A 64 13.746 -14.852 5.757 1.00 0.01 C ATOM 960 CE LYS A 64 12.921 -13.857 4.935 1.00 0.01 C ATOM 961 NZ LYS A 64 12.390 -12.793 5.833 1.00 0.00 N ATOM 0 H LYS A 64 17.193 -15.373 6.883 1.00 0.01 H new ATOM 0 HA LYS A 64 17.994 -12.975 5.466 1.00 0.01 H new ATOM 0 HB2 LYS A 64 15.629 -12.878 4.849 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.157 -14.546 4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.332 -14.769 7.225 1.00 0.01 H new ATOM 0 HG3 LYS A 64 14.520 -13.237 6.970 1.00 0.01 H new ATOM 0 HD2 LYS A 64 14.141 -15.633 5.107 1.00 0.01 H new ATOM 0 HD3 LYS A 64 13.110 -15.342 6.494 1.00 0.01 H new ATOM 0 HE2 LYS A 64 13.538 -13.414 4.154 1.00 0.01 H new ATOM 0 HE3 LYS A 64 12.099 -14.372 4.438 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 11.887 -12.080 5.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.734 -13.215 6.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.178 -12.340 6.339 1.00 0.00 H new ATOM 975 N ALA A 65 16.742 -12.631 8.448 1.00 0.00 N ATOM 976 CA ALA A 65 16.456 -11.578 9.464 1.00 0.01 C ATOM 977 C ALA A 65 17.641 -10.616 9.533 1.00 0.01 C ATOM 978 O ALA A 65 17.478 -9.413 9.480 1.00 0.01 O ATOM 979 CB ALA A 65 16.236 -12.215 10.837 1.00 0.01 C ATOM 0 H ALA A 65 16.741 -13.591 8.793 1.00 0.00 H new ATOM 0 HA ALA A 65 15.554 -11.038 9.178 1.00 0.01 H new ATOM 0 HB1 ALA A 65 16.028 -11.436 11.570 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.391 -12.902 10.788 1.00 0.01 H new ATOM 0 HB3 ALA A 65 17.132 -12.761 11.132 1.00 0.01 H new ATOM 985 N LYS A 66 18.833 -11.133 9.646 1.00 0.01 N ATOM 986 CA LYS A 66 20.021 -10.237 9.710 1.00 0.00 C ATOM 987 C LYS A 66 20.114 -9.428 8.418 1.00 0.01 C ATOM 988 O LYS A 66 20.360 -8.240 8.439 1.00 0.01 O ATOM 989 CB LYS A 66 21.287 -11.073 9.895 1.00 0.01 C ATOM 990 CG LYS A 66 21.285 -11.672 11.301 1.00 0.01 C ATOM 991 CD LYS A 66 22.544 -12.514 11.510 1.00 0.01 C ATOM 992 CE LYS A 66 22.526 -13.104 12.920 1.00 0.00 C ATOM 993 NZ LYS A 66 21.403 -14.078 13.033 1.00 0.00 N ATOM 0 H LYS A 66 19.035 -12.131 9.697 1.00 0.01 H new ATOM 0 HA LYS A 66 19.920 -9.556 10.555 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.328 -11.866 9.148 1.00 0.01 H new ATOM 0 HB3 LYS A 66 22.172 -10.453 9.751 1.00 0.01 H new ATOM 0 HG2 LYS A 66 21.242 -10.876 12.045 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.397 -12.289 11.442 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.589 -13.312 10.769 1.00 0.01 H new ATOM 0 HD3 LYS A 66 23.434 -11.900 11.371 1.00 0.01 H new ATOM 0 HE2 LYS A 66 23.474 -13.599 13.132 1.00 0.00 H new ATOM 0 HE3 LYS A 66 22.409 -12.310 13.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.577 -14.717 13.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 20.512 -13.564 13.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 21.335 -14.633 12.156 1.00 0.00 H new ATOM 1007 N LYS A 67 19.910 -10.057 7.293 1.00 0.00 N ATOM 1008 CA LYS A 67 19.981 -9.310 6.008 1.00 0.00 C ATOM 1009 C LYS A 67 18.915 -8.218 6.012 1.00 0.01 C ATOM 1010 O LYS A 67 19.183 -7.073 5.702 1.00 0.01 O ATOM 1011 CB LYS A 67 19.725 -10.273 4.847 1.00 0.00 C ATOM 1012 CG LYS A 67 20.913 -11.223 4.707 1.00 0.01 C ATOM 1013 CD LYS A 67 20.668 -12.191 3.551 1.00 0.00 C ATOM 1014 CE LYS A 67 21.863 -13.137 3.421 1.00 0.00 C ATOM 1015 NZ LYS A 67 21.615 -14.100 2.312 1.00 0.01 N ATOM 0 H LYS A 67 19.698 -11.051 7.209 1.00 0.00 H new ATOM 0 HA LYS A 67 20.967 -8.861 5.892 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.811 -10.839 5.024 1.00 0.00 H new ATOM 0 HB3 LYS A 67 19.580 -9.715 3.922 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.826 -10.655 4.530 1.00 0.01 H new ATOM 0 HG3 LYS A 67 21.058 -11.778 5.634 1.00 0.01 H new ATOM 0 HD2 LYS A 67 19.756 -12.761 3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.525 -11.638 2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 67 22.772 -12.568 3.226 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.018 -13.675 4.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 22.427 -14.744 2.223 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 20.757 -14.651 2.516 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 21.487 -13.578 1.421 1.00 0.01 H new ATOM 1029 N ILE A 68 17.708 -8.561 6.372 1.00 0.01 N ATOM 1030 CA ILE A 68 16.629 -7.539 6.412 1.00 0.00 C ATOM 1031 C ILE A 68 16.951 -6.526 7.509 1.00 0.01 C ATOM 1032 O ILE A 68 16.934 -5.329 7.299 1.00 0.00 O ATOM 1033 CB ILE A 68 15.294 -8.224 6.731 1.00 0.01 C ATOM 1034 CG1 ILE A 68 14.925 -9.174 5.591 1.00 0.00 C ATOM 1035 CG2 ILE A 68 14.185 -7.177 6.888 1.00 0.00 C ATOM 1036 CD1 ILE A 68 13.738 -10.041 6.021 1.00 0.00 C ATOM 0 H ILE A 68 17.425 -9.504 6.639 1.00 0.01 H new ATOM 0 HA ILE A 68 16.558 -7.035 5.448 1.00 0.00 H new ATOM 0 HB ILE A 68 15.397 -8.780 7.663 1.00 0.01 H new ATOM 0 HG12 ILE A 68 14.670 -8.606 4.696 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.777 -9.804 5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.243 -7.676 7.114 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.439 -6.497 7.701 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.083 -6.613 5.961 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.471 -10.720 5.211 1.00 0.00 H new ATOM 0 HD12 ILE A 68 14.011 -10.619 6.904 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.886 -9.402 6.254 1.00 0.00 H new ATOM 1048 N TYR A 69 17.239 -7.011 8.685 1.00 0.00 N ATOM 1049 CA TYR A 69 17.561 -6.105 9.817 1.00 0.01 C ATOM 1050 C TYR A 69 18.794 -5.265 9.486 1.00 0.00 C ATOM 1051 O TYR A 69 18.800 -4.061 9.646 1.00 0.01 O ATOM 1052 CB TYR A 69 17.837 -6.942 11.066 1.00 0.01 C ATOM 1053 CG TYR A 69 18.207 -6.035 12.213 1.00 0.01 C ATOM 1054 CD1 TYR A 69 19.533 -5.613 12.368 1.00 0.01 C ATOM 1055 CD2 TYR A 69 17.229 -5.623 13.127 1.00 0.00 C ATOM 1056 CE1 TYR A 69 19.882 -4.779 13.436 1.00 0.01 C ATOM 1057 CE2 TYR A 69 17.578 -4.787 14.195 1.00 0.01 C ATOM 1058 CZ TYR A 69 18.904 -4.366 14.349 1.00 0.01 C ATOM 1059 OH TYR A 69 19.250 -3.542 15.401 1.00 0.01 O ATOM 0 H TYR A 69 17.265 -8.006 8.910 1.00 0.00 H new ATOM 0 HA TYR A 69 16.717 -5.439 9.994 1.00 0.01 H new ATOM 0 HB2 TYR A 69 16.956 -7.530 11.324 1.00 0.01 H new ATOM 0 HB3 TYR A 69 18.645 -7.647 10.872 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.287 -5.931 11.663 1.00 0.01 H new ATOM 0 HD2 TYR A 69 16.206 -5.950 13.008 1.00 0.00 H new ATOM 0 HE1 TYR A 69 20.905 -4.454 13.556 1.00 0.01 H new ATOM 0 HE2 TYR A 69 16.824 -4.467 14.899 1.00 0.01 H new ATOM 0 HH TYR A 69 18.635 -2.780 15.436 1.00 0.01 H new ATOM 1069 N ASN A 70 19.844 -5.894 9.039 1.00 0.01 N ATOM 1070 CA ASN A 70 21.080 -5.135 8.712 1.00 0.00 C ATOM 1071 C ASN A 70 20.795 -4.136 7.588 1.00 0.00 C ATOM 1072 O ASN A 70 21.290 -3.030 7.585 1.00 0.01 O ATOM 1073 CB ASN A 70 22.181 -6.102 8.265 1.00 0.00 C ATOM 1074 CG ASN A 70 22.584 -6.995 9.442 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.690 -8.197 9.299 1.00 0.01 O ATOM 1076 ND2 ASN A 70 22.815 -6.453 10.606 1.00 0.01 N ATOM 0 H ASN A 70 19.899 -6.901 8.886 1.00 0.01 H new ATOM 0 HA ASN A 70 21.409 -4.596 9.600 1.00 0.00 H new ATOM 0 HB2 ASN A 70 21.828 -6.714 7.435 1.00 0.00 H new ATOM 0 HB3 ASN A 70 23.046 -5.544 7.905 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.085 -7.038 11.397 1.00 0.01 H new ATOM 0 HD22 ASN A 70 22.726 -5.444 10.725 1.00 0.01 H new ATOM 1083 N GLU A 71 20.025 -4.524 6.614 1.00 0.00 N ATOM 1084 CA GLU A 71 19.742 -3.598 5.481 1.00 0.00 C ATOM 1085 C GLU A 71 18.696 -2.538 5.866 1.00 0.00 C ATOM 1086 O GLU A 71 18.924 -1.353 5.725 1.00 0.00 O ATOM 1087 CB GLU A 71 19.221 -4.410 4.289 1.00 0.00 C ATOM 1088 CG GLU A 71 18.964 -3.480 3.098 1.00 0.00 C ATOM 1089 CD GLU A 71 18.542 -4.309 1.884 1.00 0.00 C ATOM 1090 OE1 GLU A 71 18.554 -5.525 1.988 1.00 0.00 O ATOM 1091 OE2 GLU A 71 18.213 -3.714 0.870 1.00 0.00 O ATOM 0 H GLU A 71 19.579 -5.439 6.551 1.00 0.00 H new ATOM 0 HA GLU A 71 20.667 -3.083 5.221 1.00 0.00 H new ATOM 0 HB2 GLU A 71 19.947 -5.176 4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 71 18.301 -4.927 4.564 1.00 0.00 H new ATOM 0 HG2 GLU A 71 18.186 -2.759 3.348 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.864 -2.910 2.867 1.00 0.00 H new ATOM 1098 N PHE A 72 17.531 -2.952 6.290 1.00 0.00 N ATOM 1099 CA PHE A 72 16.447 -1.967 6.613 1.00 0.00 C ATOM 1100 C PHE A 72 16.523 -1.411 8.048 1.00 0.00 C ATOM 1101 O PHE A 72 16.125 -0.288 8.286 1.00 0.00 O ATOM 1102 CB PHE A 72 15.095 -2.657 6.425 1.00 0.00 C ATOM 1103 CG PHE A 72 14.896 -2.974 4.962 1.00 0.00 C ATOM 1104 CD1 PHE A 72 15.347 -4.192 4.449 1.00 0.00 C ATOM 1105 CD2 PHE A 72 14.270 -2.050 4.121 1.00 0.00 C ATOM 1106 CE1 PHE A 72 15.172 -4.490 3.092 1.00 0.00 C ATOM 1107 CE2 PHE A 72 14.094 -2.346 2.764 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.545 -3.567 2.249 1.00 0.00 C ATOM 0 H PHE A 72 17.279 -3.931 6.428 1.00 0.00 H new ATOM 0 HA PHE A 72 16.574 -1.119 5.940 1.00 0.00 H new ATOM 0 HB2 PHE A 72 15.055 -3.572 7.016 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.292 -2.012 6.782 1.00 0.00 H new ATOM 0 HD1 PHE A 72 15.831 -4.905 5.100 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.922 -1.108 4.518 1.00 0.00 H new ATOM 0 HE1 PHE A 72 15.521 -5.432 2.697 1.00 0.00 H new ATOM 0 HE2 PHE A 72 13.610 -1.632 2.114 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.409 -3.796 1.202 1.00 0.00 H new ATOM 1118 N ILE A 73 16.962 -2.180 9.019 1.00 0.00 N ATOM 1119 CA ILE A 73 16.968 -1.664 10.437 1.00 0.00 C ATOM 1120 C ILE A 73 18.351 -1.174 10.893 1.00 0.00 C ATOM 1121 O ILE A 73 18.463 -0.558 11.934 1.00 0.01 O ATOM 1122 CB ILE A 73 16.497 -2.786 11.368 1.00 0.00 C ATOM 1123 CG1 ILE A 73 15.104 -3.279 10.922 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.440 -2.280 12.818 1.00 0.00 C ATOM 1125 CD1 ILE A 73 14.091 -2.123 10.886 1.00 0.00 C ATOM 0 H ILE A 73 17.313 -3.130 8.899 1.00 0.00 H new ATOM 0 HA ILE A 73 16.298 -0.805 10.477 1.00 0.00 H new ATOM 0 HB ILE A 73 17.203 -3.615 11.316 1.00 0.00 H new ATOM 0 HG12 ILE A 73 15.175 -3.734 9.934 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.753 -4.053 11.605 1.00 0.00 H new ATOM 0 HG21 ILE A 73 16.104 -3.085 13.471 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.432 -1.951 13.128 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.743 -1.444 12.885 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.119 -2.501 10.568 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.003 -1.685 11.880 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.432 -1.362 10.184 1.00 0.00 H new ATOM 1137 N SER A 74 19.401 -1.408 10.158 1.00 0.01 N ATOM 1138 CA SER A 74 20.722 -0.901 10.638 1.00 0.00 C ATOM 1139 C SER A 74 20.665 0.622 10.742 1.00 0.00 C ATOM 1140 O SER A 74 20.247 1.302 9.825 1.00 0.01 O ATOM 1141 CB SER A 74 21.835 -1.301 9.676 1.00 0.00 C ATOM 1142 OG SER A 74 23.053 -0.697 10.091 1.00 0.01 O ATOM 0 H SER A 74 19.409 -1.912 9.271 1.00 0.01 H new ATOM 0 HA SER A 74 20.933 -1.337 11.614 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.942 -2.386 9.656 1.00 0.00 H new ATOM 0 HB3 SER A 74 21.586 -0.986 8.663 1.00 0.00 H new ATOM 0 HG SER A 74 23.771 -0.953 9.476 1.00 0.01 H new ATOM 1148 N VAL A 75 21.079 1.167 11.852 1.00 0.01 N ATOM 1149 CA VAL A 75 21.045 2.646 12.010 1.00 0.01 C ATOM 1150 C VAL A 75 21.915 3.294 10.927 1.00 0.00 C ATOM 1151 O VAL A 75 21.795 4.471 10.649 1.00 0.00 O ATOM 1152 CB VAL A 75 21.562 3.033 13.402 1.00 0.00 C ATOM 1153 CG1 VAL A 75 20.472 2.775 14.448 1.00 0.01 C ATOM 1154 CG2 VAL A 75 22.796 2.192 13.741 1.00 0.00 C ATOM 0 H VAL A 75 21.439 0.652 12.655 1.00 0.01 H new ATOM 0 HA VAL A 75 20.019 2.999 11.906 1.00 0.01 H new ATOM 0 HB VAL A 75 21.826 4.090 13.406 1.00 0.00 H new ATOM 0 HG11 VAL A 75 20.843 3.051 15.435 1.00 0.01 H new ATOM 0 HG12 VAL A 75 19.592 3.372 14.211 1.00 0.01 H new ATOM 0 HG13 VAL A 75 20.206 1.718 14.443 1.00 0.01 H new ATOM 0 HG21 VAL A 75 23.163 2.467 14.730 1.00 0.00 H new ATOM 0 HG22 VAL A 75 22.529 1.135 13.734 1.00 0.00 H new ATOM 0 HG23 VAL A 75 23.575 2.374 13.001 1.00 0.00 H new ATOM 1164 N GLN A 76 22.787 2.537 10.308 1.00 0.01 N ATOM 1165 CA GLN A 76 23.661 3.108 9.234 1.00 0.01 C ATOM 1166 C GLN A 76 23.081 2.760 7.864 1.00 0.01 C ATOM 1167 O GLN A 76 23.617 3.137 6.840 1.00 0.01 O ATOM 1168 CB GLN A 76 25.063 2.504 9.343 1.00 0.00 C ATOM 1169 CG GLN A 76 25.760 3.033 10.595 1.00 0.01 C ATOM 1170 CD GLN A 76 27.111 2.334 10.757 1.00 0.01 C ATOM 1171 OE1 GLN A 76 27.269 1.198 10.355 1.00 0.01 O ATOM 1172 NE2 GLN A 76 28.097 2.967 11.330 1.00 0.01 N ATOM 0 H GLN A 76 22.932 1.546 10.500 1.00 0.01 H new ATOM 0 HA GLN A 76 23.712 4.191 9.351 1.00 0.01 H new ATOM 0 HB2 GLN A 76 24.998 1.417 9.384 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.647 2.755 8.457 1.00 0.00 H new ATOM 0 HG2 GLN A 76 25.903 4.111 10.517 1.00 0.01 H new ATOM 0 HG3 GLN A 76 25.139 2.856 11.473 1.00 0.01 H new ATOM 0 HE21 GLN A 76 27.964 3.920 11.667 1.00 0.01 H new ATOM 0 HE22 GLN A 76 29.001 2.509 11.441 1.00 0.01 H new ATOM 1181 N ALA A 77 21.992 2.046 7.831 1.00 0.01 N ATOM 1182 CA ALA A 77 21.388 1.682 6.520 1.00 0.00 C ATOM 1183 C ALA A 77 21.212 2.942 5.674 1.00 0.01 C ATOM 1184 O ALA A 77 20.717 3.948 6.141 1.00 0.00 O ATOM 1185 CB ALA A 77 20.019 1.032 6.743 1.00 0.00 C ATOM 0 H ALA A 77 21.495 1.700 8.652 1.00 0.01 H new ATOM 0 HA ALA A 77 22.044 0.980 6.006 1.00 0.00 H new ATOM 0 HB1 ALA A 77 19.581 0.767 5.781 1.00 0.00 H new ATOM 0 HB2 ALA A 77 20.137 0.133 7.347 1.00 0.00 H new ATOM 0 HB3 ALA A 77 19.363 1.733 7.260 1.00 0.00 H new ATOM 1191 N THR A 78 21.596 2.898 4.431 1.00 0.01 N ATOM 1192 CA THR A 78 21.423 4.095 3.566 1.00 0.01 C ATOM 1193 C THR A 78 19.931 4.282 3.299 1.00 0.01 C ATOM 1194 O THR A 78 19.481 5.347 2.924 1.00 0.00 O ATOM 1195 CB THR A 78 22.154 3.884 2.237 1.00 0.00 C ATOM 1196 OG1 THR A 78 21.499 2.863 1.499 1.00 0.01 O ATOM 1197 CG2 THR A 78 23.601 3.475 2.505 1.00 0.01 C ATOM 0 H THR A 78 22.020 2.089 3.978 1.00 0.01 H new ATOM 0 HA THR A 78 21.834 4.975 4.060 1.00 0.01 H new ATOM 0 HB THR A 78 22.144 4.812 1.665 1.00 0.00 H new ATOM 0 HG1 THR A 78 21.963 2.726 0.647 1.00 0.01 H new ATOM 0 HG21 THR A 78 24.118 3.326 1.557 1.00 0.01 H new ATOM 0 HG22 THR A 78 24.102 4.260 3.072 1.00 0.01 H new ATOM 0 HG23 THR A 78 23.617 2.547 3.077 1.00 0.01 H new ATOM 1205 N LYS A 79 19.167 3.234 3.486 1.00 0.00 N ATOM 1206 CA LYS A 79 17.690 3.293 3.245 1.00 0.00 C ATOM 1207 C LYS A 79 16.944 2.922 4.530 1.00 0.00 C ATOM 1208 O LYS A 79 16.271 1.913 4.601 1.00 0.00 O ATOM 1209 CB LYS A 79 17.327 2.296 2.139 1.00 0.00 C ATOM 1210 CG LYS A 79 18.027 0.952 2.398 1.00 0.00 C ATOM 1211 CD LYS A 79 17.696 -0.045 1.274 1.00 0.01 C ATOM 1212 CE LYS A 79 16.365 -0.747 1.569 1.00 0.00 C ATOM 1213 NZ LYS A 79 16.054 -1.700 0.465 1.00 0.00 N ATOM 0 H LYS A 79 19.509 2.326 3.800 1.00 0.00 H new ATOM 0 HA LYS A 79 17.406 4.301 2.944 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.247 2.153 2.106 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.626 2.691 1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 79 19.105 1.101 2.456 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.709 0.547 3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.637 0.478 0.319 1.00 0.01 H new ATOM 0 HD3 LYS A 79 18.493 -0.783 1.185 1.00 0.01 H new ATOM 0 HE2 LYS A 79 16.424 -1.279 2.518 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.566 -0.011 1.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.292 -2.342 0.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.749 -1.170 -0.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.903 -2.254 0.235 1.00 0.00 H new ATOM 1227 N GLU A 80 17.051 3.734 5.546 1.00 0.00 N ATOM 1228 CA GLU A 80 16.346 3.432 6.824 1.00 0.00 C ATOM 1229 C GLU A 80 14.835 3.484 6.605 1.00 0.00 C ATOM 1230 O GLU A 80 14.347 4.187 5.740 1.00 0.00 O ATOM 1231 CB GLU A 80 16.731 4.465 7.884 1.00 0.00 C ATOM 1232 CG GLU A 80 18.186 4.257 8.299 1.00 0.00 C ATOM 1233 CD GLU A 80 18.565 5.292 9.357 1.00 0.01 C ATOM 1234 OE1 GLU A 80 17.785 6.205 9.573 1.00 0.01 O ATOM 1235 OE2 GLU A 80 19.630 5.155 9.935 1.00 0.00 O ATOM 0 H GLU A 80 17.597 4.595 5.546 1.00 0.00 H new ATOM 0 HA GLU A 80 16.635 2.436 7.160 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.595 5.472 7.490 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.078 4.371 8.752 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.323 3.250 8.694 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.840 4.351 7.432 1.00 0.00 H new ATOM 1242 N VAL A 81 14.088 2.748 7.389 1.00 0.00 N ATOM 1243 CA VAL A 81 12.599 2.749 7.246 1.00 0.00 C ATOM 1244 C VAL A 81 11.994 3.586 8.370 1.00 0.00 C ATOM 1245 O VAL A 81 12.494 3.617 9.476 1.00 0.00 O ATOM 1246 CB VAL A 81 12.074 1.314 7.328 1.00 0.00 C ATOM 1247 CG1 VAL A 81 12.495 0.553 6.072 1.00 0.00 C ATOM 1248 CG2 VAL A 81 12.657 0.619 8.559 1.00 0.00 C ATOM 0 H VAL A 81 14.448 2.142 8.127 1.00 0.00 H new ATOM 0 HA VAL A 81 12.320 3.174 6.282 1.00 0.00 H new ATOM 0 HB VAL A 81 10.987 1.330 7.405 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.124 -0.470 6.125 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.080 1.045 5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.583 0.541 6.001 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.280 -0.402 8.613 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.744 0.601 8.486 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.363 1.162 9.457 1.00 0.00 H new ATOM 1258 N ASN A 82 10.931 4.281 8.086 1.00 0.00 N ATOM 1259 CA ASN A 82 10.299 5.138 9.124 1.00 0.00 C ATOM 1260 C ASN A 82 9.548 4.266 10.135 1.00 0.00 C ATOM 1261 O ASN A 82 8.535 3.669 9.830 1.00 0.00 O ATOM 1262 CB ASN A 82 9.330 6.103 8.437 1.00 0.00 C ATOM 1263 CG ASN A 82 8.594 5.363 7.319 1.00 0.00 C ATOM 1264 OD1 ASN A 82 8.135 4.254 7.507 1.00 0.00 O ATOM 1265 ND2 ASN A 82 8.470 5.931 6.148 1.00 0.00 N ATOM 0 H ASN A 82 10.471 4.293 7.176 1.00 0.00 H new ATOM 0 HA ASN A 82 11.064 5.702 9.657 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.616 6.497 9.160 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.874 6.955 8.029 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.988 5.443 5.393 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.855 6.862 5.989 1.00 0.00 H new ATOM 1272 N LEU A 83 10.047 4.196 11.341 1.00 0.00 N ATOM 1273 CA LEU A 83 9.387 3.375 12.402 1.00 0.00 C ATOM 1274 C LEU A 83 9.575 4.068 13.752 1.00 0.00 C ATOM 1275 O LEU A 83 10.328 5.013 13.874 1.00 0.00 O ATOM 1276 CB LEU A 83 10.026 1.981 12.466 1.00 0.01 C ATOM 1277 CG LEU A 83 9.649 1.155 11.226 1.00 0.00 C ATOM 1278 CD1 LEU A 83 10.454 -0.149 11.230 1.00 0.00 C ATOM 1279 CD2 LEU A 83 8.139 0.834 11.237 1.00 0.00 C ATOM 0 H LEU A 83 10.894 4.678 11.641 1.00 0.00 H new ATOM 0 HA LEU A 83 8.327 3.273 12.170 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.110 2.075 12.531 1.00 0.01 H new ATOM 0 HB3 LEU A 83 9.696 1.465 13.367 1.00 0.01 H new ATOM 0 HG LEU A 83 9.877 1.729 10.328 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.192 -0.741 10.353 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.519 0.081 11.208 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.224 -0.716 12.132 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.885 0.249 10.353 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.895 0.263 12.133 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.569 1.763 11.233 1.00 0.00 H new ATOM 1291 N ASP A 84 8.898 3.608 14.766 1.00 0.01 N ATOM 1292 CA ASP A 84 9.045 4.243 16.104 1.00 0.00 C ATOM 1293 C ASP A 84 10.425 3.901 16.666 1.00 0.00 C ATOM 1294 O ASP A 84 11.060 2.955 16.241 1.00 0.00 O ATOM 1295 CB ASP A 84 7.968 3.712 17.052 1.00 0.00 C ATOM 1296 CG ASP A 84 6.589 4.167 16.567 1.00 0.01 C ATOM 1297 OD1 ASP A 84 6.533 5.120 15.811 1.00 0.01 O ATOM 1298 OD2 ASP A 84 5.615 3.552 16.965 1.00 0.00 O ATOM 0 H ASP A 84 8.250 2.821 14.726 1.00 0.01 H new ATOM 0 HA ASP A 84 8.937 5.323 16.008 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.010 2.624 17.093 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.148 4.076 18.064 1.00 0.00 H new ATOM 1303 N SER A 85 10.898 4.659 17.614 1.00 0.00 N ATOM 1304 CA SER A 85 12.239 4.371 18.192 1.00 0.01 C ATOM 1305 C SER A 85 12.183 3.060 18.976 1.00 0.01 C ATOM 1306 O SER A 85 13.190 2.422 19.213 1.00 0.00 O ATOM 1307 CB SER A 85 12.647 5.511 19.125 1.00 0.01 C ATOM 1308 OG SER A 85 11.732 5.584 20.211 1.00 0.00 O ATOM 0 H SER A 85 10.415 5.464 18.013 1.00 0.00 H new ATOM 0 HA SER A 85 12.971 4.282 17.390 1.00 0.01 H new ATOM 0 HB2 SER A 85 13.658 5.346 19.498 1.00 0.01 H new ATOM 0 HB3 SER A 85 12.658 6.455 18.580 1.00 0.01 H new ATOM 0 HG SER A 85 11.994 6.314 20.811 1.00 0.00 H new ATOM 1314 N CYS A 86 11.011 2.652 19.384 1.00 0.01 N ATOM 1315 CA CYS A 86 10.883 1.381 20.159 1.00 0.01 C ATOM 1316 C CYS A 86 10.682 0.202 19.206 1.00 0.00 C ATOM 1317 O CYS A 86 11.154 -0.890 19.448 1.00 0.01 O ATOM 1318 CB CYS A 86 9.675 1.476 21.090 1.00 0.01 C ATOM 1319 SG CYS A 86 9.960 2.767 22.324 1.00 0.01 S ATOM 0 H CYS A 86 10.134 3.145 19.214 1.00 0.01 H new ATOM 0 HA CYS A 86 11.793 1.227 20.739 1.00 0.01 H new ATOM 0 HB2 CYS A 86 8.777 1.701 20.515 1.00 0.01 H new ATOM 0 HB3 CYS A 86 9.507 0.518 21.583 1.00 0.01 H new ATOM 0 HG CYS A 86 8.930 2.848 23.113 1.00 0.01 H new ATOM 1325 N THR A 87 9.964 0.405 18.139 1.00 0.00 N ATOM 1326 CA THR A 87 9.708 -0.715 17.189 1.00 0.00 C ATOM 1327 C THR A 87 11.026 -1.256 16.631 1.00 0.00 C ATOM 1328 O THR A 87 11.223 -2.452 16.546 1.00 0.01 O ATOM 1329 CB THR A 87 8.837 -0.209 16.040 1.00 0.00 C ATOM 1330 OG1 THR A 87 7.616 0.284 16.563 1.00 0.00 O ATOM 1331 CG2 THR A 87 8.540 -1.356 15.080 1.00 0.00 C ATOM 0 H THR A 87 9.542 1.298 17.882 1.00 0.00 H new ATOM 0 HA THR A 87 9.197 -1.519 17.718 1.00 0.00 H new ATOM 0 HB THR A 87 9.362 0.585 15.509 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.627 0.214 17.540 1.00 0.00 H new ATOM 0 HG21 THR A 87 7.919 -0.993 14.261 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.475 -1.747 14.680 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.013 -2.148 15.612 1.00 0.00 H new ATOM 1339 N ARG A 88 11.934 -0.397 16.247 1.00 0.01 N ATOM 1340 CA ARG A 88 13.225 -0.897 15.697 1.00 0.00 C ATOM 1341 C ARG A 88 13.974 -1.658 16.792 1.00 0.00 C ATOM 1342 O ARG A 88 14.571 -2.688 16.549 1.00 0.01 O ATOM 1343 CB ARG A 88 14.084 0.272 15.206 1.00 0.00 C ATOM 1344 CG ARG A 88 13.450 0.895 13.957 1.00 0.00 C ATOM 1345 CD ARG A 88 14.464 1.814 13.273 1.00 0.00 C ATOM 1346 NE ARG A 88 14.849 2.937 14.194 1.00 0.01 N ATOM 1347 CZ ARG A 88 13.976 3.805 14.628 1.00 0.00 C ATOM 1348 NH1 ARG A 88 12.752 3.794 14.178 1.00 0.00 N ATOM 1349 NH2 ARG A 88 14.342 4.715 15.487 1.00 0.01 N ATOM 0 H ARG A 88 11.838 0.618 16.290 1.00 0.01 H new ATOM 0 HA ARG A 88 13.022 -1.559 14.855 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.176 1.023 15.991 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.092 -0.076 14.978 1.00 0.00 H new ATOM 0 HG2 ARG A 88 13.131 0.112 13.269 1.00 0.00 H new ATOM 0 HG3 ARG A 88 12.559 1.460 14.232 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.350 1.245 12.991 1.00 0.00 H new ATOM 0 HD3 ARG A 88 14.039 2.217 12.354 1.00 0.00 H new ATOM 0 HE ARG A 88 15.822 3.024 14.489 1.00 0.01 H new ATOM 0 HH11 ARG A 88 12.471 3.104 13.482 1.00 0.00 H new ATOM 0 HH12 ARG A 88 12.076 4.476 14.522 1.00 0.00 H new ATOM 0 HH21 ARG A 88 15.307 4.746 15.817 1.00 0.01 H new ATOM 0 HH22 ARG A 88 13.664 5.396 15.829 1.00 0.01 H new ATOM 1363 N GLU A 89 13.941 -1.162 17.998 1.00 0.01 N ATOM 1364 CA GLU A 89 14.641 -1.865 19.108 1.00 0.01 C ATOM 1365 C GLU A 89 14.052 -3.266 19.263 1.00 0.01 C ATOM 1366 O GLU A 89 14.757 -4.229 19.493 1.00 0.00 O ATOM 1367 CB GLU A 89 14.464 -1.084 20.412 1.00 0.01 C ATOM 1368 CG GLU A 89 15.266 0.218 20.340 1.00 0.01 C ATOM 1369 CD GLU A 89 15.092 1.003 21.641 1.00 0.01 C ATOM 1370 OE1 GLU A 89 14.326 0.559 22.481 1.00 0.01 O ATOM 1371 OE2 GLU A 89 15.727 2.036 21.776 1.00 0.01 O ATOM 0 H GLU A 89 13.460 -0.302 18.262 1.00 0.01 H new ATOM 0 HA GLU A 89 15.705 -1.937 18.880 1.00 0.01 H new ATOM 0 HB2 GLU A 89 13.409 -0.865 20.577 1.00 0.01 H new ATOM 0 HB3 GLU A 89 14.801 -1.685 21.257 1.00 0.01 H new ATOM 0 HG2 GLU A 89 16.321 -0.002 20.175 1.00 0.01 H new ATOM 0 HG3 GLU A 89 14.929 0.818 19.494 1.00 0.01 H new ATOM 1378 N GLU A 90 12.760 -3.388 19.137 1.00 0.00 N ATOM 1379 CA GLU A 90 12.123 -4.725 19.279 1.00 0.01 C ATOM 1380 C GLU A 90 12.689 -5.675 18.224 1.00 0.01 C ATOM 1381 O GLU A 90 12.941 -6.830 18.498 1.00 0.01 O ATOM 1382 CB GLU A 90 10.609 -4.597 19.097 1.00 0.01 C ATOM 1383 CG GLU A 90 10.009 -3.866 20.301 1.00 0.00 C ATOM 1384 CD GLU A 90 8.510 -3.660 20.081 1.00 0.01 C ATOM 1385 OE1 GLU A 90 8.029 -4.025 19.020 1.00 0.01 O ATOM 1386 OE2 GLU A 90 7.866 -3.142 20.979 1.00 0.00 O ATOM 0 H GLU A 90 12.119 -2.619 18.942 1.00 0.00 H new ATOM 0 HA GLU A 90 12.333 -5.121 20.273 1.00 0.01 H new ATOM 0 HB2 GLU A 90 10.387 -4.052 18.180 1.00 0.01 H new ATOM 0 HB3 GLU A 90 10.159 -5.585 18.997 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.177 -4.443 21.210 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.502 -2.904 20.438 1.00 0.00 H new ATOM 1393 N THR A 91 12.897 -5.208 17.023 1.00 0.01 N ATOM 1394 CA THR A 91 13.452 -6.117 15.984 1.00 0.01 C ATOM 1395 C THR A 91 14.854 -6.551 16.416 1.00 0.01 C ATOM 1396 O THR A 91 15.213 -7.701 16.298 1.00 0.01 O ATOM 1397 CB THR A 91 13.528 -5.397 14.627 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.377 -4.583 14.462 1.00 0.00 O ATOM 1399 CG2 THR A 91 13.581 -6.435 13.500 1.00 0.01 C ATOM 0 H THR A 91 12.710 -4.252 16.721 1.00 0.01 H new ATOM 0 HA THR A 91 12.804 -6.987 15.876 1.00 0.01 H new ATOM 0 HB THR A 91 14.424 -4.777 14.593 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.424 -4.122 13.599 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.635 -5.925 12.538 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.461 -7.065 13.627 1.00 0.01 H new ATOM 0 HG23 THR A 91 12.684 -7.054 13.533 1.00 0.01 H new ATOM 1407 N SER A 92 15.642 -5.633 16.925 1.00 0.01 N ATOM 1408 CA SER A 92 17.019 -5.993 17.374 1.00 0.01 C ATOM 1409 C SER A 92 16.928 -7.056 18.470 1.00 0.01 C ATOM 1410 O SER A 92 17.706 -7.988 18.521 1.00 0.00 O ATOM 1411 CB SER A 92 17.720 -4.751 17.929 1.00 0.01 C ATOM 1412 OG SER A 92 17.120 -4.383 19.163 1.00 0.01 O ATOM 0 H SER A 92 15.389 -4.653 17.047 1.00 0.01 H new ATOM 0 HA SER A 92 17.588 -6.381 16.529 1.00 0.01 H new ATOM 0 HB2 SER A 92 18.781 -4.953 18.074 1.00 0.01 H new ATOM 0 HB3 SER A 92 17.646 -3.929 17.217 1.00 0.01 H new ATOM 0 HG SER A 92 16.145 -4.370 19.062 1.00 0.01 H new ATOM 1418 N ARG A 93 15.974 -6.919 19.349 1.00 0.01 N ATOM 1419 CA ARG A 93 15.807 -7.911 20.448 1.00 0.01 C ATOM 1420 C ARG A 93 15.368 -9.257 19.865 1.00 0.01 C ATOM 1421 O ARG A 93 15.771 -10.308 20.326 1.00 0.01 O ATOM 1422 CB ARG A 93 14.739 -7.407 21.422 1.00 0.00 C ATOM 1423 CG ARG A 93 15.277 -6.197 22.191 1.00 0.01 C ATOM 1424 CD ARG A 93 14.208 -5.693 23.164 1.00 0.01 C ATOM 1425 NE ARG A 93 14.721 -4.504 23.902 1.00 0.00 N ATOM 1426 CZ ARG A 93 13.889 -3.719 24.531 1.00 0.01 C ATOM 1427 NH1 ARG A 93 12.605 -3.960 24.483 1.00 0.00 N ATOM 1428 NH2 ARG A 93 14.339 -2.692 25.198 1.00 0.01 N ATOM 0 H ARG A 93 15.297 -6.156 19.353 1.00 0.01 H new ATOM 0 HA ARG A 93 16.755 -8.037 20.972 1.00 0.01 H new ATOM 0 HB2 ARG A 93 13.836 -7.132 20.877 1.00 0.00 H new ATOM 0 HB3 ARG A 93 14.463 -8.200 22.117 1.00 0.00 H new ATOM 0 HG2 ARG A 93 16.180 -6.472 22.737 1.00 0.01 H new ATOM 0 HG3 ARG A 93 15.553 -5.404 21.496 1.00 0.01 H new ATOM 0 HD2 ARG A 93 13.301 -5.431 22.619 1.00 0.01 H new ATOM 0 HD3 ARG A 93 13.941 -6.482 23.867 1.00 0.01 H new ATOM 0 HE ARG A 93 15.721 -4.304 23.916 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.256 -4.760 23.955 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.953 -3.348 24.974 1.00 0.00 H new ATOM 0 HH21 ARG A 93 15.341 -2.503 25.228 1.00 0.01 H new ATOM 0 HH22 ARG A 93 13.689 -2.079 25.690 1.00 0.01 H new ATOM 1442 N ASN A 94 14.525 -9.232 18.870 1.00 0.01 N ATOM 1443 CA ASN A 94 14.030 -10.505 18.265 1.00 0.01 C ATOM 1444 C ASN A 94 15.178 -11.271 17.599 1.00 0.01 C ATOM 1445 O ASN A 94 15.086 -12.462 17.377 1.00 0.01 O ATOM 1446 CB ASN A 94 12.964 -10.190 17.217 1.00 0.01 C ATOM 1447 CG ASN A 94 11.728 -9.605 17.903 1.00 0.01 C ATOM 1448 OD1 ASN A 94 11.309 -10.085 18.938 1.00 0.00 O ATOM 1449 ND2 ASN A 94 11.124 -8.583 17.365 1.00 0.01 N ATOM 0 H ASN A 94 14.155 -8.381 18.446 1.00 0.01 H new ATOM 0 HA ASN A 94 13.607 -11.123 19.057 1.00 0.01 H new ATOM 0 HB2 ASN A 94 13.356 -9.483 16.486 1.00 0.01 H new ATOM 0 HB3 ASN A 94 12.696 -11.095 16.672 1.00 0.01 H new ATOM 0 HD21 ASN A 94 10.298 -8.185 17.813 1.00 0.01 H new ATOM 0 HD22 ASN A 94 11.477 -8.181 16.496 1.00 0.01 H new ATOM 1456 N MET A 95 16.255 -10.611 17.272 1.00 0.01 N ATOM 1457 CA MET A 95 17.386 -11.331 16.617 1.00 0.01 C ATOM 1458 C MET A 95 17.864 -12.428 17.562 1.00 0.01 C ATOM 1459 O MET A 95 18.260 -13.498 17.146 1.00 0.01 O ATOM 1460 CB MET A 95 18.529 -10.354 16.339 1.00 0.01 C ATOM 1461 CG MET A 95 17.965 -9.117 15.644 1.00 0.01 C ATOM 1462 SD MET A 95 17.068 -9.597 14.147 1.00 0.01 S ATOM 1463 CE MET A 95 18.459 -9.488 13.004 1.00 0.01 C ATOM 0 H MET A 95 16.401 -9.614 17.428 1.00 0.01 H new ATOM 0 HA MET A 95 17.059 -11.764 15.672 1.00 0.01 H new ATOM 0 HB2 MET A 95 19.019 -10.072 17.271 1.00 0.01 H new ATOM 0 HB3 MET A 95 19.285 -10.827 15.712 1.00 0.01 H new ATOM 0 HG2 MET A 95 17.298 -8.583 16.321 1.00 0.01 H new ATOM 0 HG3 MET A 95 18.775 -8.433 15.388 1.00 0.01 H new ATOM 0 HE1 MET A 95 18.092 -9.537 11.979 1.00 0.01 H new ATOM 0 HE2 MET A 95 18.983 -8.544 13.157 1.00 0.01 H new ATOM 0 HE3 MET A 95 19.144 -10.316 13.184 1.00 0.01 H new ATOM 1473 N LEU A 96 17.809 -12.169 18.838 1.00 0.01 N ATOM 1474 CA LEU A 96 18.231 -13.189 19.832 1.00 0.01 C ATOM 1475 C LEU A 96 17.251 -14.359 19.769 1.00 0.01 C ATOM 1476 O LEU A 96 17.598 -15.496 20.017 1.00 0.01 O ATOM 1477 CB LEU A 96 18.194 -12.570 21.229 1.00 0.01 C ATOM 1478 CG LEU A 96 19.162 -11.381 21.293 1.00 0.01 C ATOM 1479 CD1 LEU A 96 18.945 -10.623 22.605 1.00 0.01 C ATOM 1480 CD2 LEU A 96 20.618 -11.877 21.209 1.00 0.01 C ATOM 0 H LEU A 96 17.487 -11.287 19.236 1.00 0.01 H new ATOM 0 HA LEU A 96 19.242 -13.535 19.615 1.00 0.01 H new ATOM 0 HB2 LEU A 96 17.182 -12.241 21.465 1.00 0.01 H new ATOM 0 HB3 LEU A 96 18.469 -13.316 21.975 1.00 0.01 H new ATOM 0 HG LEU A 96 18.971 -10.715 20.451 1.00 0.01 H new ATOM 0 HD11 LEU A 96 19.631 -9.777 22.654 1.00 0.01 H new ATOM 0 HD12 LEU A 96 17.918 -10.260 22.650 1.00 0.01 H new ATOM 0 HD13 LEU A 96 19.131 -11.291 23.446 1.00 0.01 H new ATOM 0 HD21 LEU A 96 21.296 -11.025 21.255 1.00 0.01 H new ATOM 0 HD22 LEU A 96 20.822 -12.549 22.043 1.00 0.01 H new ATOM 0 HD23 LEU A 96 20.768 -12.409 20.269 1.00 0.01 H new ATOM 1492 N GLU A 97 16.020 -14.075 19.436 1.00 0.01 N ATOM 1493 CA GLU A 97 14.984 -15.144 19.346 1.00 0.01 C ATOM 1494 C GLU A 97 14.078 -14.845 18.142 1.00 0.01 C ATOM 1495 O GLU A 97 12.989 -14.335 18.302 1.00 0.01 O ATOM 1496 CB GLU A 97 14.145 -15.138 20.632 1.00 0.01 C ATOM 1497 CG GLU A 97 13.964 -13.697 21.111 1.00 0.01 C ATOM 1498 CD GLU A 97 12.956 -13.660 22.262 1.00 0.01 C ATOM 1499 OE1 GLU A 97 13.375 -13.827 23.395 1.00 0.01 O ATOM 1500 OE2 GLU A 97 11.782 -13.465 21.990 1.00 0.01 O ATOM 0 H GLU A 97 15.685 -13.136 19.220 1.00 0.01 H new ATOM 0 HA GLU A 97 15.455 -16.120 19.224 1.00 0.01 H new ATOM 0 HB2 GLU A 97 13.174 -15.597 20.448 1.00 0.01 H new ATOM 0 HB3 GLU A 97 14.637 -15.731 21.403 1.00 0.01 H new ATOM 0 HG2 GLU A 97 14.920 -13.290 21.439 1.00 0.01 H new ATOM 0 HG3 GLU A 97 13.616 -13.071 20.289 1.00 0.01 H new ATOM 1507 N PRO A 98 14.522 -15.151 16.942 1.00 0.01 N ATOM 1508 CA PRO A 98 13.697 -14.887 15.729 1.00 0.01 C ATOM 1509 C PRO A 98 12.371 -15.668 15.750 1.00 0.01 C ATOM 1510 O PRO A 98 12.355 -16.880 15.682 1.00 0.01 O ATOM 1511 CB PRO A 98 14.620 -15.358 14.582 1.00 0.00 C ATOM 1512 CG PRO A 98 16.003 -15.685 15.182 1.00 0.01 C ATOM 1513 CD PRO A 98 15.859 -15.765 16.710 1.00 0.01 C ATOM 0 HA PRO A 98 13.392 -13.844 15.639 1.00 0.01 H new ATOM 0 HB2 PRO A 98 14.200 -16.237 14.092 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.709 -14.582 13.822 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.375 -16.630 14.786 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.727 -14.917 14.908 1.00 0.01 H new ATOM 0 HD2 PRO A 98 15.900 -16.794 17.068 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.651 -15.218 17.221 1.00 0.01 H new ATOM 1521 N THR A 99 11.266 -14.969 15.835 1.00 0.01 N ATOM 1522 CA THR A 99 9.924 -15.638 15.854 1.00 0.01 C ATOM 1523 C THR A 99 9.060 -15.040 14.746 1.00 0.01 C ATOM 1524 O THR A 99 9.471 -14.136 14.049 1.00 0.01 O ATOM 1525 CB THR A 99 9.239 -15.396 17.202 1.00 0.00 C ATOM 1526 OG1 THR A 99 9.086 -13.998 17.406 1.00 0.01 O ATOM 1527 CG2 THR A 99 10.077 -15.993 18.330 1.00 0.00 C ATOM 0 H THR A 99 11.235 -13.951 15.893 1.00 0.01 H new ATOM 0 HA THR A 99 10.051 -16.710 15.701 1.00 0.01 H new ATOM 0 HB THR A 99 8.260 -15.875 17.200 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.139 -13.790 17.551 1.00 0.01 H new ATOM 0 HG21 THR A 99 9.581 -15.816 19.284 1.00 0.00 H new ATOM 0 HG22 THR A 99 10.188 -17.066 18.172 1.00 0.00 H new ATOM 0 HG23 THR A 99 11.061 -15.524 18.340 1.00 0.00 H new ATOM 1535 N ILE A 100 7.864 -15.532 14.584 1.00 0.00 N ATOM 1536 CA ILE A 100 6.972 -14.987 13.523 1.00 0.01 C ATOM 1537 C ILE A 100 6.509 -13.576 13.916 1.00 0.01 C ATOM 1538 O ILE A 100 6.069 -12.803 13.091 1.00 0.01 O ATOM 1539 CB ILE A 100 5.767 -15.918 13.346 1.00 0.00 C ATOM 1540 CG1 ILE A 100 4.968 -15.510 12.093 1.00 0.01 C ATOM 1541 CG2 ILE A 100 4.861 -15.834 14.580 1.00 0.01 C ATOM 1542 CD1 ILE A 100 5.787 -15.765 10.817 1.00 0.01 C ATOM 0 H ILE A 100 7.465 -16.288 15.140 1.00 0.00 H new ATOM 0 HA ILE A 100 7.513 -14.926 12.579 1.00 0.01 H new ATOM 0 HB ILE A 100 6.124 -16.941 13.228 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.036 -16.073 12.051 1.00 0.01 H new ATOM 0 HG13 ILE A 100 4.700 -14.455 12.154 1.00 0.01 H new ATOM 0 HG21 ILE A 100 4.006 -16.497 14.449 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.422 -16.135 15.465 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.510 -14.810 14.704 1.00 0.01 H new ATOM 0 HD11 ILE A 100 5.203 -15.470 9.945 1.00 0.01 H new ATOM 0 HD12 ILE A 100 6.707 -15.181 10.852 1.00 0.01 H new ATOM 0 HD13 ILE A 100 6.032 -16.825 10.748 1.00 0.01 H new ATOM 1554 N THR A 101 6.611 -13.235 15.176 1.00 0.00 N ATOM 1555 CA THR A 101 6.181 -11.875 15.630 1.00 0.01 C ATOM 1556 C THR A 101 7.380 -10.925 15.607 1.00 0.01 C ATOM 1557 O THR A 101 7.322 -9.826 16.116 1.00 0.01 O ATOM 1558 CB THR A 101 5.647 -11.964 17.062 1.00 0.01 C ATOM 1559 OG1 THR A 101 6.665 -12.471 17.912 1.00 0.00 O ATOM 1560 CG2 THR A 101 4.433 -12.894 17.104 1.00 0.01 C ATOM 0 H THR A 101 6.974 -13.840 15.912 1.00 0.00 H new ATOM 0 HA THR A 101 5.402 -11.502 14.965 1.00 0.01 H new ATOM 0 HB THR A 101 5.349 -10.972 17.400 1.00 0.01 H new ATOM 0 HG1 THR A 101 6.327 -12.528 18.830 1.00 0.00 H new ATOM 0 HG21 THR A 101 4.056 -12.954 18.125 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.652 -12.503 16.452 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.724 -13.888 16.765 1.00 0.01 H new ATOM 1568 N CYS A 102 8.474 -11.346 15.036 1.00 0.00 N ATOM 1569 CA CYS A 102 9.685 -10.474 14.991 1.00 0.00 C ATOM 1570 C CYS A 102 9.419 -9.197 14.182 1.00 0.01 C ATOM 1571 O CYS A 102 9.533 -8.098 14.688 1.00 0.01 O ATOM 1572 CB CYS A 102 10.834 -11.241 14.342 1.00 0.00 C ATOM 1573 SG CYS A 102 12.253 -10.135 14.138 1.00 0.01 S ATOM 0 H CYS A 102 8.584 -12.260 14.596 1.00 0.00 H new ATOM 0 HA CYS A 102 9.942 -10.192 16.012 1.00 0.00 H new ATOM 0 HB2 CYS A 102 11.110 -12.096 14.960 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.523 -11.634 13.374 1.00 0.00 H new ATOM 0 HG CYS A 102 12.298 -9.709 12.911 1.00 0.01 H new ATOM 1579 N PHE A 103 9.101 -9.330 12.920 1.00 0.00 N ATOM 1580 CA PHE A 103 8.868 -8.125 12.060 1.00 0.01 C ATOM 1581 C PHE A 103 7.377 -7.779 11.986 1.00 0.01 C ATOM 1582 O PHE A 103 6.993 -6.822 11.341 1.00 0.00 O ATOM 1583 CB PHE A 103 9.384 -8.424 10.650 1.00 0.00 C ATOM 1584 CG PHE A 103 10.893 -8.493 10.668 1.00 0.00 C ATOM 1585 CD1 PHE A 103 11.532 -9.708 10.938 1.00 0.01 C ATOM 1586 CD2 PHE A 103 11.651 -7.346 10.411 1.00 0.00 C ATOM 1587 CE1 PHE A 103 12.931 -9.775 10.952 1.00 0.01 C ATOM 1588 CE2 PHE A 103 13.050 -7.411 10.427 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.689 -8.627 10.697 1.00 0.00 C ATOM 0 H PHE A 103 8.992 -10.225 12.443 1.00 0.00 H new ATOM 0 HA PHE A 103 9.395 -7.276 12.494 1.00 0.01 H new ATOM 0 HB2 PHE A 103 8.971 -9.367 10.293 1.00 0.00 H new ATOM 0 HB3 PHE A 103 9.053 -7.649 9.959 1.00 0.00 H new ATOM 0 HD1 PHE A 103 10.947 -10.594 11.136 1.00 0.01 H new ATOM 0 HD2 PHE A 103 11.157 -6.409 10.200 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.425 -10.713 11.160 1.00 0.01 H new ATOM 0 HE2 PHE A 103 13.635 -6.524 10.231 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.768 -8.679 10.708 1.00 0.00 H new ATOM 1599 N ASP A 104 6.529 -8.535 12.629 1.00 0.01 N ATOM 1600 CA ASP A 104 5.071 -8.216 12.570 1.00 0.01 C ATOM 1601 C ASP A 104 4.830 -6.814 13.133 1.00 0.00 C ATOM 1602 O ASP A 104 4.031 -6.057 12.619 1.00 0.01 O ATOM 1603 CB ASP A 104 4.276 -9.237 13.386 1.00 0.01 C ATOM 1604 CG ASP A 104 4.291 -10.587 12.669 1.00 0.01 C ATOM 1605 OD1 ASP A 104 4.740 -10.630 11.536 1.00 0.01 O ATOM 1606 OD2 ASP A 104 3.837 -11.555 13.258 1.00 0.00 O ATOM 0 H ASP A 104 6.777 -9.352 13.187 1.00 0.01 H new ATOM 0 HA ASP A 104 4.741 -8.255 11.532 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.707 -9.338 14.382 1.00 0.01 H new ATOM 0 HB3 ASP A 104 3.250 -8.894 13.516 1.00 0.01 H new ATOM 1611 N GLU A 105 5.513 -6.467 14.188 1.00 0.00 N ATOM 1612 CA GLU A 105 5.325 -5.116 14.792 1.00 0.00 C ATOM 1613 C GLU A 105 5.754 -4.053 13.787 1.00 0.00 C ATOM 1614 O GLU A 105 5.152 -3.003 13.682 1.00 0.01 O ATOM 1615 CB GLU A 105 6.190 -4.987 16.049 1.00 0.00 C ATOM 1616 CG GLU A 105 5.656 -5.909 17.145 1.00 0.00 C ATOM 1617 CD GLU A 105 6.027 -7.355 16.820 1.00 0.01 C ATOM 1618 OE1 GLU A 105 6.810 -7.554 15.907 1.00 0.00 O ATOM 1619 OE2 GLU A 105 5.518 -8.241 17.488 1.00 0.01 O ATOM 0 H GLU A 105 6.195 -7.061 14.660 1.00 0.00 H new ATOM 0 HA GLU A 105 4.276 -4.982 15.055 1.00 0.00 H new ATOM 0 HB2 GLU A 105 7.224 -5.244 15.818 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.188 -3.954 16.398 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.073 -5.623 18.111 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.573 -5.809 17.224 1.00 0.00 H new ATOM 1626 N ALA A 106 6.798 -4.313 13.053 1.00 0.00 N ATOM 1627 CA ALA A 106 7.275 -3.315 12.063 1.00 0.00 C ATOM 1628 C ALA A 106 6.258 -3.189 10.931 1.00 0.00 C ATOM 1629 O ALA A 106 5.813 -2.108 10.607 1.00 0.00 O ATOM 1630 CB ALA A 106 8.621 -3.767 11.496 1.00 0.00 C ATOM 0 H ALA A 106 7.341 -5.175 13.097 1.00 0.00 H new ATOM 0 HA ALA A 106 7.392 -2.347 12.550 1.00 0.00 H new ATOM 0 HB1 ALA A 106 8.973 -3.036 10.769 1.00 0.00 H new ATOM 0 HB2 ALA A 106 9.346 -3.853 12.305 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.504 -4.735 11.009 1.00 0.00 H new ATOM 1636 N GLN A 107 5.880 -4.279 10.327 1.00 0.00 N ATOM 1637 CA GLN A 107 4.891 -4.194 9.219 1.00 0.00 C ATOM 1638 C GLN A 107 3.590 -3.582 9.747 1.00 0.00 C ATOM 1639 O GLN A 107 2.979 -2.753 9.102 1.00 0.00 O ATOM 1640 CB GLN A 107 4.620 -5.593 8.668 1.00 0.00 C ATOM 1641 CG GLN A 107 3.639 -5.498 7.500 1.00 0.00 C ATOM 1642 CD GLN A 107 3.556 -6.852 6.793 1.00 0.00 C ATOM 1643 OE1 GLN A 107 4.339 -7.740 7.064 1.00 0.00 O ATOM 1644 NE2 GLN A 107 2.636 -7.048 5.889 1.00 0.00 N ATOM 0 H GLN A 107 6.210 -5.218 10.550 1.00 0.00 H new ATOM 0 HA GLN A 107 5.287 -3.566 8.421 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.552 -6.053 8.338 1.00 0.00 H new ATOM 0 HB3 GLN A 107 4.210 -6.231 9.451 1.00 0.00 H new ATOM 0 HG2 GLN A 107 2.654 -5.203 7.862 1.00 0.00 H new ATOM 0 HG3 GLN A 107 3.964 -4.729 6.799 1.00 0.00 H new ATOM 0 HE21 GLN A 107 1.978 -6.303 5.661 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.575 -7.947 5.410 1.00 0.00 H new ATOM 1653 N LYS A 108 3.168 -3.970 10.922 1.00 0.00 N ATOM 1654 CA LYS A 108 1.913 -3.395 11.486 1.00 0.00 C ATOM 1655 C LYS A 108 2.082 -1.880 11.624 1.00 0.00 C ATOM 1656 O LYS A 108 1.194 -1.116 11.304 1.00 0.00 O ATOM 1657 CB LYS A 108 1.635 -4.021 12.858 1.00 0.00 C ATOM 1658 CG LYS A 108 0.315 -3.488 13.421 1.00 0.00 C ATOM 1659 CD LYS A 108 0.055 -4.127 14.788 1.00 0.01 C ATOM 1660 CE LYS A 108 -1.273 -3.621 15.351 1.00 0.00 C ATOM 1661 NZ LYS A 108 -1.666 -4.460 16.518 1.00 0.00 N ATOM 0 H LYS A 108 3.636 -4.657 11.513 1.00 0.00 H new ATOM 0 HA LYS A 108 1.073 -3.609 10.825 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.590 -5.106 12.769 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.451 -3.791 13.543 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.358 -2.403 13.516 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.504 -3.716 12.738 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.031 -5.213 14.694 1.00 0.01 H new ATOM 0 HD3 LYS A 108 0.867 -3.885 15.473 1.00 0.01 H new ATOM 0 HE2 LYS A 108 -1.179 -2.578 15.654 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.046 -3.661 14.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -2.569 -4.118 16.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.771 -5.449 16.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.932 -4.399 17.252 1.00 0.00 H new ATOM 1675 N LYS A 109 3.223 -1.440 12.084 1.00 0.01 N ATOM 1676 CA LYS A 109 3.453 0.025 12.224 1.00 0.00 C ATOM 1677 C LYS A 109 3.518 0.658 10.829 1.00 0.00 C ATOM 1678 O LYS A 109 3.095 1.779 10.632 1.00 0.00 O ATOM 1679 CB LYS A 109 4.763 0.286 12.981 1.00 0.00 C ATOM 1680 CG LYS A 109 4.613 -0.114 14.462 1.00 0.00 C ATOM 1681 CD LYS A 109 3.883 0.986 15.250 1.00 0.01 C ATOM 1682 CE LYS A 109 3.968 0.682 16.749 1.00 0.00 C ATOM 1683 NZ LYS A 109 5.374 0.845 17.216 1.00 0.01 N ATOM 0 H LYS A 109 4.004 -2.032 12.368 1.00 0.01 H new ATOM 0 HA LYS A 109 2.633 0.468 12.789 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.574 -0.281 12.524 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.030 1.340 12.907 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.060 -1.050 14.537 1.00 0.00 H new ATOM 0 HG3 LYS A 109 5.596 -0.289 14.898 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.330 1.957 15.039 1.00 0.01 H new ATOM 0 HD3 LYS A 109 2.840 1.041 14.938 1.00 0.01 H new ATOM 0 HE2 LYS A 109 3.311 1.352 17.303 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.625 -0.334 16.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.416 0.704 18.246 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 5.980 0.143 16.745 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 5.708 1.802 16.983 1.00 0.01 H new ATOM 1697 N ILE A 110 4.035 -0.051 9.855 1.00 0.00 N ATOM 1698 CA ILE A 110 4.102 0.534 8.484 1.00 0.00 C ATOM 1699 C ILE A 110 2.672 0.708 7.969 1.00 0.00 C ATOM 1700 O ILE A 110 2.338 1.716 7.387 1.00 0.00 O ATOM 1701 CB ILE A 110 4.880 -0.401 7.541 1.00 0.00 C ATOM 1702 CG1 ILE A 110 6.378 -0.408 7.915 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.711 0.056 6.087 1.00 0.00 C ATOM 1704 CD1 ILE A 110 7.079 0.923 7.557 1.00 0.00 C ATOM 0 H ILE A 110 4.408 -0.996 9.949 1.00 0.00 H new ATOM 0 HA ILE A 110 4.616 1.495 8.517 1.00 0.00 H new ATOM 0 HB ILE A 110 4.483 -1.411 7.645 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.482 -0.595 8.984 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.875 -1.229 7.398 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.266 -0.613 5.429 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.655 0.035 5.819 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.093 1.071 5.978 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.130 0.868 7.840 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.000 1.099 6.484 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.601 1.742 8.095 1.00 0.00 H new ATOM 1716 N PHE A 111 1.816 -0.254 8.204 1.00 0.00 N ATOM 1717 CA PHE A 111 0.405 -0.116 7.745 1.00 0.00 C ATOM 1718 C PHE A 111 -0.185 1.127 8.421 1.00 0.00 C ATOM 1719 O PHE A 111 -0.775 1.977 7.787 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.396 -1.373 8.174 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.594 -2.316 7.002 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.493 -2.679 6.201 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -1.870 -2.824 6.721 1.00 0.00 C ATOM 1724 CE1 PHE A 111 0.302 -3.547 5.121 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -2.059 -3.690 5.640 1.00 0.00 C ATOM 1726 CZ PHE A 111 -0.977 -4.052 4.841 1.00 0.00 C ATOM 0 H PHE A 111 2.033 -1.123 8.691 1.00 0.00 H new ATOM 0 HA PHE A 111 0.357 -0.018 6.660 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.132 -1.889 8.976 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.365 -1.073 8.572 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.477 -2.290 6.416 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.709 -2.546 7.341 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.140 -3.829 4.501 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.044 -4.078 5.424 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.122 -4.721 4.006 1.00 0.00 H new ATOM 1736 N ASN A 112 -0.021 1.223 9.707 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.555 2.392 10.451 1.00 0.00 C ATOM 1738 C ASN A 112 0.114 3.676 9.949 1.00 0.00 C ATOM 1739 O ASN A 112 -0.514 4.705 9.818 1.00 0.00 O ATOM 1740 CB ASN A 112 -0.257 2.209 11.939 1.00 0.00 C ATOM 1741 CG ASN A 112 -1.120 1.071 12.490 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -2.330 1.171 12.520 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -0.544 -0.018 12.924 1.00 0.00 N ATOM 0 H ASN A 112 0.465 0.534 10.281 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.631 2.467 10.294 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.799 1.984 12.085 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.464 3.133 12.480 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.110 -0.784 13.288 1.00 0.00 H new ATOM 0 HD22 ASN A 112 0.472 -0.102 12.899 1.00 0.00 H new ATOM 1750 N LEU A 113 1.391 3.629 9.685 1.00 0.00 N ATOM 1751 CA LEU A 113 2.102 4.853 9.215 1.00 0.00 C ATOM 1752 C LEU A 113 1.490 5.357 7.908 1.00 0.00 C ATOM 1753 O LEU A 113 1.026 6.475 7.820 1.00 0.00 O ATOM 1754 CB LEU A 113 3.580 4.503 8.986 1.00 0.00 C ATOM 1755 CG LEU A 113 4.358 5.731 8.428 1.00 0.00 C ATOM 1756 CD1 LEU A 113 5.753 5.804 9.062 1.00 0.00 C ATOM 1757 CD2 LEU A 113 4.527 5.614 6.902 1.00 0.00 C ATOM 0 H LEU A 113 1.973 2.796 9.774 1.00 0.00 H new ATOM 0 HA LEU A 113 2.009 5.637 9.966 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.031 4.176 9.923 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.657 3.670 8.288 1.00 0.00 H new ATOM 0 HG LEU A 113 3.788 6.628 8.669 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.289 6.666 8.665 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.657 5.903 10.143 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.307 4.894 8.829 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.073 6.481 6.529 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.082 4.706 6.666 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.546 5.572 6.429 1.00 0.00 H new ATOM 1769 N MET A 114 1.487 4.543 6.890 1.00 0.00 N ATOM 1770 CA MET A 114 0.906 4.982 5.590 1.00 0.00 C ATOM 1771 C MET A 114 -0.611 5.136 5.724 1.00 0.00 C ATOM 1772 O MET A 114 -1.200 6.050 5.186 1.00 0.00 O ATOM 1773 CB MET A 114 1.243 3.945 4.510 1.00 0.00 C ATOM 1774 CG MET A 114 0.709 2.560 4.915 1.00 0.00 C ATOM 1775 SD MET A 114 1.814 1.276 4.267 1.00 0.00 S ATOM 1776 CE MET A 114 0.793 0.775 2.864 1.00 0.00 C ATOM 0 H MET A 114 1.861 3.594 6.901 1.00 0.00 H new ATOM 0 HA MET A 114 1.329 5.946 5.306 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.806 4.246 3.558 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.322 3.898 4.365 1.00 0.00 H new ATOM 0 HG2 MET A 114 0.645 2.486 6.001 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.299 2.418 4.525 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.412 0.259 2.130 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.004 0.106 3.208 1.00 0.00 H new ATOM 0 HE3 MET A 114 0.346 1.657 2.406 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.252 4.251 6.435 1.00 0.00 N ATOM 1787 CA GLU A 115 -2.730 4.356 6.586 1.00 0.00 C ATOM 1788 C GLU A 115 -3.084 5.693 7.244 1.00 0.00 C ATOM 1789 O GLU A 115 -4.049 6.336 6.892 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.249 3.199 7.450 1.00 0.00 C ATOM 1791 CG GLU A 115 -4.772 3.303 7.605 1.00 0.01 C ATOM 1792 CD GLU A 115 -5.284 2.125 8.438 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.502 1.228 8.704 1.00 0.01 O ATOM 1794 OE2 GLU A 115 -6.450 2.142 8.798 1.00 0.00 O ATOM 0 H GLU A 115 -0.819 3.463 6.916 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.197 4.303 5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.986 2.246 6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -2.773 3.224 8.430 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -5.035 4.244 8.087 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -5.249 3.303 6.625 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.328 6.117 8.208 1.00 0.01 N ATOM 1802 CA LYS A 116 -2.650 7.404 8.881 1.00 0.00 C ATOM 1803 C LYS A 116 -2.396 8.596 7.948 1.00 0.01 C ATOM 1804 O LYS A 116 -3.149 9.550 7.954 1.00 0.00 O ATOM 1805 CB LYS A 116 -1.794 7.548 10.137 1.00 0.00 C ATOM 1806 CG LYS A 116 -2.268 6.546 11.196 1.00 0.00 C ATOM 1807 CD LYS A 116 -1.181 6.369 12.259 1.00 0.00 C ATOM 1808 CE LYS A 116 -0.864 7.719 12.902 1.00 0.00 C ATOM 1809 NZ LYS A 116 -0.060 7.503 14.138 1.00 0.00 N ATOM 0 H LYS A 116 -1.503 5.633 8.561 1.00 0.01 H new ATOM 0 HA LYS A 116 -3.707 7.398 9.147 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.745 7.372 9.898 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -1.866 8.564 10.524 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.189 6.900 11.659 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.493 5.587 10.729 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.514 5.663 13.019 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.282 5.950 11.807 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -0.313 8.347 12.202 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -1.788 8.245 13.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 0.156 8.421 14.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -0.602 6.919 14.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 0.827 7.018 13.895 1.00 0.00 H new ATOM 1823 N ASP A 117 -1.331 8.579 7.177 1.00 0.00 N ATOM 1824 CA ASP A 117 -1.027 9.748 6.280 1.00 0.00 C ATOM 1825 C ASP A 117 -1.211 9.402 4.794 1.00 0.00 C ATOM 1826 O ASP A 117 -1.782 10.169 4.047 1.00 0.00 O ATOM 1827 CB ASP A 117 0.421 10.179 6.511 1.00 0.00 C ATOM 1828 CG ASP A 117 0.562 10.756 7.920 1.00 0.00 C ATOM 1829 OD1 ASP A 117 -0.303 11.522 8.315 1.00 0.00 O ATOM 1830 OD2 ASP A 117 1.532 10.424 8.582 1.00 0.00 O ATOM 0 H ASP A 117 -0.661 7.811 7.129 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.724 10.550 6.525 1.00 0.00 H new ATOM 0 HB2 ASP A 117 1.090 9.327 6.387 1.00 0.00 H new ATOM 0 HB3 ASP A 117 0.713 10.924 5.771 1.00 0.00 H new ATOM 1835 N SER A 118 -0.713 8.282 4.338 1.00 0.00 N ATOM 1836 CA SER A 118 -0.858 7.964 2.886 1.00 0.00 C ATOM 1837 C SER A 118 -2.339 7.895 2.501 1.00 0.00 C ATOM 1838 O SER A 118 -2.754 8.487 1.530 1.00 0.01 O ATOM 1839 CB SER A 118 -0.186 6.629 2.560 1.00 0.00 C ATOM 1840 OG SER A 118 -1.046 5.560 2.924 1.00 0.00 O ATOM 0 H SER A 118 -0.221 7.585 4.896 1.00 0.00 H new ATOM 0 HA SER A 118 -0.374 8.756 2.315 1.00 0.00 H new ATOM 0 HB2 SER A 118 0.045 6.577 1.496 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.760 6.546 3.096 1.00 0.00 H new ATOM 0 HG SER A 118 -1.483 5.768 3.776 1.00 0.00 H new ATOM 1846 N TYR A 119 -3.137 7.182 3.249 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.588 7.078 2.904 1.00 0.00 C ATOM 1848 C TYR A 119 -5.226 8.472 2.907 1.00 0.01 C ATOM 1849 O TYR A 119 -5.900 8.857 1.973 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.290 6.177 3.950 1.00 0.00 C ATOM 1851 CG TYR A 119 -5.797 4.900 3.317 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -4.953 4.135 2.507 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -7.115 4.484 3.543 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.429 2.959 1.922 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.583 3.306 2.957 1.00 0.01 C ATOM 1856 CZ TYR A 119 -6.739 2.547 2.147 1.00 0.00 C ATOM 1857 OH TYR A 119 -7.199 1.392 1.559 1.00 0.00 O ATOM 0 H TYR A 119 -2.850 6.668 4.082 1.00 0.01 H new ATOM 0 HA TYR A 119 -4.699 6.644 1.910 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.593 5.937 4.753 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.122 6.718 4.401 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -3.935 4.452 2.334 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -7.768 5.073 4.169 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -4.779 2.368 1.294 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.599 2.983 3.131 1.00 0.01 H new ATOM 0 HH TYR A 119 -8.174 1.437 1.468 1.00 0.00 H new ATOM 1867 N ARG A 120 -5.027 9.223 3.948 1.00 0.00 N ATOM 1868 CA ARG A 120 -5.633 10.578 3.999 1.00 0.01 C ATOM 1869 C ARG A 120 -5.088 11.394 2.830 1.00 0.00 C ATOM 1870 O ARG A 120 -5.806 12.131 2.183 1.00 0.00 O ATOM 1871 CB ARG A 120 -5.258 11.244 5.322 1.00 0.00 C ATOM 1872 CG ARG A 120 -5.964 10.516 6.471 1.00 0.01 C ATOM 1873 CD ARG A 120 -5.594 11.164 7.814 1.00 0.00 C ATOM 1874 NE ARG A 120 -5.641 10.124 8.889 1.00 0.01 N ATOM 1875 CZ ARG A 120 -6.677 9.339 9.026 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -7.788 9.593 8.388 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -6.618 8.330 9.853 1.00 0.01 N ATOM 0 H ARG A 120 -4.473 8.960 4.763 1.00 0.00 H new ATOM 0 HA ARG A 120 -6.719 10.515 3.928 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -4.178 11.213 5.465 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -5.548 12.295 5.309 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.044 10.553 6.326 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -5.679 9.464 6.475 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -4.598 11.602 7.758 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -6.286 11.974 8.044 1.00 0.00 H new ATOM 0 HE ARG A 120 -4.851 10.026 9.526 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -7.851 10.408 7.778 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -8.593 8.976 8.500 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -5.767 8.158 10.388 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -7.423 7.714 9.964 1.00 0.01 H new ATOM 1891 N ARG A 121 -3.824 11.256 2.543 1.00 0.00 N ATOM 1892 CA ARG A 121 -3.237 12.012 1.406 1.00 0.01 C ATOM 1893 C ARG A 121 -3.778 11.444 0.085 1.00 0.01 C ATOM 1894 O ARG A 121 -4.080 12.180 -0.830 1.00 0.01 O ATOM 1895 CB ARG A 121 -1.708 11.886 1.436 1.00 0.01 C ATOM 1896 CG ARG A 121 -1.128 12.636 2.645 1.00 0.00 C ATOM 1897 CD ARG A 121 -1.043 14.145 2.366 1.00 0.00 C ATOM 1898 NE ARG A 121 -0.335 14.393 1.078 1.00 0.01 N ATOM 1899 CZ ARG A 121 -0.440 15.556 0.495 1.00 0.01 C ATOM 1900 NH1 ARG A 121 -1.182 16.485 1.029 1.00 0.00 N ATOM 1901 NH2 ARG A 121 0.197 15.791 -0.619 1.00 0.01 N ATOM 0 H ARG A 121 -3.174 10.653 3.047 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.510 13.064 1.488 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.425 10.834 1.483 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.286 12.288 0.515 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -1.752 12.459 3.521 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.136 12.249 2.876 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -2.045 14.572 2.326 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -0.517 14.643 3.180 1.00 0.00 H new ATOM 0 HE ARG A 121 0.229 13.657 0.654 1.00 0.01 H new ATOM 0 HH11 ARG A 121 -1.679 16.302 1.901 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -1.266 17.395 0.575 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.779 15.065 -1.037 1.00 0.01 H new ATOM 0 HH22 ARG A 121 0.113 16.701 -1.072 1.00 0.01 H new ATOM 1915 N PHE A 122 -3.905 10.140 -0.018 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.419 9.529 -1.285 1.00 0.01 C ATOM 1917 C PHE A 122 -5.810 10.081 -1.594 1.00 0.01 C ATOM 1918 O PHE A 122 -6.087 10.512 -2.692 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.504 7.986 -1.113 1.00 0.00 C ATOM 1920 CG PHE A 122 -3.704 7.279 -2.185 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -4.198 7.216 -3.493 1.00 0.00 C ATOM 1922 CD2 PHE A 122 -2.481 6.681 -1.869 1.00 0.01 C ATOM 1923 CE1 PHE A 122 -3.466 6.558 -4.486 1.00 0.00 C ATOM 1924 CE2 PHE A 122 -1.749 6.019 -2.863 1.00 0.01 C ATOM 1925 CZ PHE A 122 -2.242 5.959 -4.171 1.00 0.00 C ATOM 0 H PHE A 122 -3.675 9.475 0.720 1.00 0.01 H new ATOM 0 HA PHE A 122 -3.743 9.772 -2.105 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -4.129 7.704 -0.129 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.545 7.667 -1.161 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -5.145 7.676 -3.735 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -2.101 6.729 -0.859 1.00 0.01 H new ATOM 0 HE1 PHE A 122 -3.846 6.512 -5.496 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -0.804 5.555 -2.620 1.00 0.01 H new ATOM 0 HZ PHE A 122 -1.677 5.450 -4.938 1.00 0.00 H new ATOM 1935 N LEU A 123 -6.685 10.061 -0.635 1.00 0.00 N ATOM 1936 CA LEU A 123 -8.056 10.570 -0.879 1.00 0.00 C ATOM 1937 C LEU A 123 -7.963 12.036 -1.285 1.00 0.01 C ATOM 1938 O LEU A 123 -8.703 12.508 -2.125 1.00 0.00 O ATOM 1939 CB LEU A 123 -8.871 10.428 0.406 1.00 0.00 C ATOM 1940 CG LEU A 123 -8.945 8.946 0.804 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -9.561 8.823 2.200 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -9.803 8.164 -0.210 1.00 0.01 C ATOM 0 H LEU A 123 -6.510 9.714 0.308 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.543 10.005 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.412 11.008 1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -9.875 10.827 0.259 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.938 8.529 0.810 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -9.614 7.772 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -8.944 9.362 2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.565 9.248 2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.847 7.115 0.083 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -10.811 8.578 -0.230 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.358 8.245 -1.202 1.00 0.01 H new ATOM 1954 N LYS A 124 -7.051 12.755 -0.701 1.00 0.01 N ATOM 1955 CA LYS A 124 -6.890 14.193 -1.048 1.00 0.01 C ATOM 1956 C LYS A 124 -5.915 14.326 -2.221 1.00 0.01 C ATOM 1957 O LYS A 124 -5.671 15.406 -2.718 1.00 0.01 O ATOM 1958 CB LYS A 124 -6.329 14.927 0.168 1.00 0.01 C ATOM 1959 CG LYS A 124 -7.305 14.770 1.331 1.00 0.01 C ATOM 1960 CD LYS A 124 -6.764 15.496 2.561 1.00 0.01 C ATOM 1961 CE LYS A 124 -7.749 15.332 3.719 1.00 0.01 C ATOM 1962 NZ LYS A 124 -9.041 15.988 3.369 1.00 0.01 N ATOM 0 H LYS A 124 -6.405 12.407 0.007 1.00 0.01 H new ATOM 0 HA LYS A 124 -7.852 14.621 -1.331 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -5.354 14.522 0.437 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -6.183 15.982 -0.062 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -8.279 15.175 1.057 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -7.451 13.713 1.556 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -5.790 15.092 2.837 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -6.619 16.553 2.339 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -7.910 14.274 3.926 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -7.338 15.775 4.626 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -9.579 16.180 4.238 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -8.853 16.883 2.873 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -9.593 15.360 2.751 1.00 0.01 H new ATOM 1976 N SER A 125 -5.351 13.231 -2.668 1.00 0.00 N ATOM 1977 CA SER A 125 -4.388 13.304 -3.808 1.00 0.01 C ATOM 1978 C SER A 125 -5.148 13.397 -5.128 1.00 0.01 C ATOM 1979 O SER A 125 -6.348 13.220 -5.189 1.00 0.01 O ATOM 1980 CB SER A 125 -3.495 12.065 -3.820 1.00 0.01 C ATOM 1981 OG SER A 125 -4.274 10.917 -4.132 1.00 0.01 O ATOM 0 H SER A 125 -5.515 12.296 -2.295 1.00 0.00 H new ATOM 0 HA SER A 125 -3.768 14.192 -3.686 1.00 0.01 H new ATOM 0 HB2 SER A 125 -2.698 12.186 -4.554 1.00 0.01 H new ATOM 0 HB3 SER A 125 -3.017 11.939 -2.848 1.00 0.01 H new ATOM 0 HG SER A 125 -5.166 11.009 -3.736 1.00 0.01 H new ATOM 1987 N ARG A 126 -4.448 13.695 -6.186 1.00 0.01 N ATOM 1988 CA ARG A 126 -5.102 13.832 -7.515 1.00 0.01 C ATOM 1989 C ARG A 126 -5.574 12.464 -8.019 1.00 0.00 C ATOM 1990 O ARG A 126 -6.613 12.350 -8.638 1.00 0.00 O ATOM 1991 CB ARG A 126 -4.095 14.411 -8.513 1.00 0.01 C ATOM 1992 CG ARG A 126 -3.534 15.743 -7.992 1.00 0.01 C ATOM 1993 CD ARG A 126 -4.561 16.867 -8.162 1.00 0.01 C ATOM 1994 NE ARG A 126 -3.918 18.170 -7.836 1.00 0.00 N ATOM 1995 CZ ARG A 126 -4.492 19.287 -8.187 1.00 0.01 C ATOM 1996 NH1 ARG A 126 -5.619 19.260 -8.841 1.00 0.01 N ATOM 1997 NH2 ARG A 126 -3.941 20.430 -7.883 1.00 0.01 N ATOM 0 H ARG A 126 -3.440 13.851 -6.186 1.00 0.01 H new ATOM 0 HA ARG A 126 -5.963 14.494 -7.420 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -3.281 13.703 -8.671 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -4.577 14.564 -9.479 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -3.267 15.644 -6.940 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -2.620 15.994 -8.531 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -4.938 16.880 -9.185 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -5.417 16.696 -7.509 1.00 0.01 H new ATOM 0 HE ARG A 126 -3.028 18.189 -7.338 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -6.050 18.366 -9.077 1.00 0.01 H new ATOM 0 HH12 ARG A 126 -6.070 20.133 -9.117 1.00 0.01 H new ATOM 0 HH21 ARG A 126 -3.060 20.451 -7.370 1.00 0.01 H new ATOM 0 HH22 ARG A 126 -4.392 21.303 -8.158 1.00 0.01 H new ATOM 2011 N PHE A 127 -4.814 11.426 -7.785 1.00 0.01 N ATOM 2012 CA PHE A 127 -5.228 10.081 -8.286 1.00 0.01 C ATOM 2013 C PHE A 127 -6.629 9.731 -7.777 1.00 0.01 C ATOM 2014 O PHE A 127 -7.535 9.494 -8.551 1.00 0.00 O ATOM 2015 CB PHE A 127 -4.248 9.012 -7.792 1.00 0.01 C ATOM 2016 CG PHE A 127 -2.904 9.193 -8.456 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -2.629 8.555 -9.672 1.00 0.01 C ATOM 2018 CD2 PHE A 127 -1.929 9.995 -7.851 1.00 0.00 C ATOM 2019 CE1 PHE A 127 -1.379 8.722 -10.283 1.00 0.01 C ATOM 2020 CE2 PHE A 127 -0.680 10.162 -8.461 1.00 0.00 C ATOM 2021 CZ PHE A 127 -0.405 9.526 -9.678 1.00 0.00 C ATOM 0 H PHE A 127 -3.932 11.450 -7.273 1.00 0.01 H new ATOM 0 HA PHE A 127 -5.230 10.110 -9.376 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -4.139 9.080 -6.710 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -4.640 8.019 -8.012 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -3.380 7.935 -10.139 1.00 0.01 H new ATOM 0 HD2 PHE A 127 -2.141 10.486 -6.912 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -1.167 8.230 -11.221 1.00 0.01 H new ATOM 0 HE2 PHE A 127 0.071 10.781 -7.993 1.00 0.00 H new ATOM 0 HZ PHE A 127 0.558 9.656 -10.150 1.00 0.00 H new ATOM 2031 N TYR A 128 -6.816 9.682 -6.486 1.00 0.01 N ATOM 2032 CA TYR A 128 -8.160 9.331 -5.949 1.00 0.01 C ATOM 2033 C TYR A 128 -9.186 10.364 -6.403 1.00 0.01 C ATOM 2034 O TYR A 128 -10.235 10.025 -6.905 1.00 0.00 O ATOM 2035 CB TYR A 128 -8.113 9.286 -4.420 1.00 0.00 C ATOM 2036 CG TYR A 128 -9.421 8.745 -3.892 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -9.616 7.362 -3.781 1.00 0.01 C ATOM 2038 CD2 TYR A 128 -10.437 9.628 -3.508 1.00 0.00 C ATOM 2039 CE1 TYR A 128 -10.828 6.863 -3.287 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -11.649 9.129 -3.014 1.00 0.01 C ATOM 2041 CZ TYR A 128 -11.844 7.748 -2.904 1.00 0.01 C ATOM 2042 OH TYR A 128 -13.040 7.259 -2.420 1.00 0.01 O ATOM 0 H TYR A 128 -6.100 9.869 -5.784 1.00 0.01 H new ATOM 0 HA TYR A 128 -8.449 8.350 -6.327 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -7.287 8.657 -4.089 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.933 10.284 -4.021 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -8.832 6.681 -4.076 1.00 0.01 H new ATOM 0 HD2 TYR A 128 -10.286 10.694 -3.593 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -10.979 5.797 -3.201 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -12.433 9.810 -2.718 1.00 0.01 H new ATOM 0 HH TYR A 128 -13.634 8.007 -2.200 1.00 0.01 H new ATOM 2052 N LEU A 129 -8.900 11.620 -6.226 1.00 0.01 N ATOM 2053 CA LEU A 129 -9.870 12.666 -6.645 1.00 0.01 C ATOM 2054 C LEU A 129 -10.122 12.558 -8.153 1.00 0.01 C ATOM 2055 O LEU A 129 -11.250 12.584 -8.604 1.00 0.01 O ATOM 2056 CB LEU A 129 -9.300 14.047 -6.307 1.00 0.01 C ATOM 2057 CG LEU A 129 -9.234 14.225 -4.782 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -8.439 15.494 -4.460 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -10.655 14.339 -4.185 1.00 0.01 C ATOM 0 H LEU A 129 -8.037 11.969 -5.809 1.00 0.01 H new ATOM 0 HA LEU A 129 -10.813 12.526 -6.117 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -8.305 14.155 -6.738 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -9.924 14.825 -6.746 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.744 13.355 -4.344 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -8.388 15.627 -3.379 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -7.430 15.403 -4.863 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -8.932 16.356 -4.909 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -10.587 14.464 -3.104 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -11.164 15.200 -4.619 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -11.218 13.433 -4.410 1.00 0.01 H new ATOM 2071 N ASP A 130 -9.086 12.433 -8.938 1.00 0.56 N ATOM 2072 CA ASP A 130 -9.286 12.319 -10.412 1.00 0.91 C ATOM 2073 C ASP A 130 -10.138 11.087 -10.711 1.00 1.05 C ATOM 2074 O ASP A 130 -11.117 11.151 -11.429 1.00 1.91 O ATOM 2075 CB ASP A 130 -7.930 12.168 -11.102 1.00 2.23 C ATOM 2076 CG ASP A 130 -7.138 13.468 -10.965 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -7.752 14.487 -10.697 1.00 3.36 O ATOM 2078 OD2 ASP A 130 -5.931 13.421 -11.129 1.00 3.77 O ATOM 0 H ASP A 130 -8.116 12.405 -8.625 1.00 0.56 H new ATOM 0 HA ASP A 130 -9.786 13.215 -10.780 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -7.374 11.343 -10.657 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -8.071 11.926 -12.155 1.00 2.23 H new ATOM 2083 N LEU A 131 -9.772 9.967 -10.154 1.00 1.16 N ATOM 2084 CA LEU A 131 -10.549 8.720 -10.387 1.00 1.68 C ATOM 2085 C LEU A 131 -11.899 8.839 -9.678 1.00 2.00 C ATOM 2086 O LEU A 131 -12.921 8.423 -10.188 1.00 2.21 O ATOM 2087 CB LEU A 131 -9.784 7.528 -9.807 1.00 2.07 C ATOM 2088 CG LEU A 131 -8.413 7.397 -10.494 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -7.498 6.504 -9.648 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -8.574 6.776 -11.892 1.00 3.54 C ATOM 0 H LEU A 131 -8.962 9.862 -9.543 1.00 1.16 H new ATOM 0 HA LEU A 131 -10.698 8.573 -11.457 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -9.651 7.659 -8.733 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -10.359 6.613 -9.948 1.00 2.07 H new ATOM 0 HG LEU A 131 -7.974 8.390 -10.592 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -6.527 6.412 -10.136 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -7.368 6.948 -8.661 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -7.947 5.516 -9.545 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -7.596 6.689 -12.366 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -9.022 5.787 -11.801 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -9.217 7.411 -12.500 1.00 3.54 H new ATOM 2102 N THR A 132 -11.899 9.401 -8.493 1.00 2.68 N ATOM 2103 CA THR A 132 -13.161 9.561 -7.708 1.00 3.30 C ATOM 2104 C THR A 132 -13.447 11.044 -7.509 1.00 3.72 C ATOM 2105 O THR A 132 -13.180 11.609 -6.468 1.00 3.94 O ATOM 2106 CB THR A 132 -13.015 8.899 -6.330 1.00 3.80 C ATOM 2107 OG1 THR A 132 -12.115 9.657 -5.535 1.00 4.04 O ATOM 2108 CG2 THR A 132 -12.493 7.469 -6.479 1.00 4.63 C ATOM 0 H THR A 132 -11.064 9.761 -8.031 1.00 2.68 H new ATOM 0 HA THR A 132 -13.977 9.088 -8.254 1.00 3.30 H new ATOM 0 HB THR A 132 -13.992 8.866 -5.847 1.00 3.80 H new ATOM 0 HG1 THR A 132 -11.698 9.074 -4.867 1.00 4.04 H new ATOM 0 HG21 THR A 132 -12.395 7.013 -5.494 1.00 4.63 H new ATOM 0 HG22 THR A 132 -13.192 6.887 -7.080 1.00 4.63 H new ATOM 0 HG23 THR A 132 -11.520 7.486 -6.969 1.00 4.63 H new