USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1060 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 99 THR OG1 : rot 119:sc= 0.00526 USER MOD Set 1.2: A 101 THR OG1 : rot 180:sc= 0.00473 USER MOD Set 2.1: A 87 THR OG1 : rot -50:sc= -0.959! USER MOD Set 2.2: A 109 LYS NZ :NH3+ 167:sc= -0.929! (180deg=-1.04!) USER MOD Set 3.1: A 49 CYS SG : rot -36:sc= -0.0572 USER MOD Set 3.2: A 53 LYS NZ :NH3+ 160:sc= 0.618 (180deg=0) USER MOD Set 3.3: A 107 GLN : amide:sc= -2.17! C(o=-1.6!,f=-18!) USER MOD Set 4.1: A 42 ASN : amide:sc= -0.765 K(o=-6.7,f=-7.4!) USER MOD Set 4.2: A 82 ASN : amide:sc= -5.98! C(o=-6.7!,f=-7.4!) USER MOD Set 5.1: A 16 SER OG : rot 160:sc= -2.84! USER MOD Set 5.2: A 19 ASN : amide:sc= -3.6! C(o=-6.4!,f=-5.3!) USER MOD Single : A 6 SER OG : rot 180:sc= -0.113 USER MOD Single : A 7 GLN : amide:sc=-0.00345 K(o=-0.0035,f=-1.3!) USER MOD Single : A 11 LYS NZ :NH3+ -138:sc= -1.76 (180deg=-2.72!) USER MOD Single : A 12 LYS NZ :NH3+ -114:sc= -4.07 (180deg=-5.07!) USER MOD Single : A 22 ASN : amide:sc= -3.07! C(o=-3.1!,f=-4.3!) USER MOD Single : A 23 HIS : no HD1:sc= -8.4! C(o=-8.4!,f=-22!) USER MOD Single : A 25 CYS SG : rot -95:sc= -2.27 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 156:sc= -0.17 (180deg=-0.991) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -170:sc= -1.02 USER MOD Single : A 48 SER OG : rot -44:sc= 0.121 USER MOD Single : A 52 TYR OH : rot 1:sc= 0.00496 USER MOD Single : A 54 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0135) USER MOD Single : A 56 LYS NZ :NH3+ -160:sc= -0.115 (180deg=-0.633) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc=-0.00343 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.575 USER MOD Single : A 64 LYS NZ :NH3+ -147:sc= -1.89 (180deg=-3.28!) USER MOD Single : A 66 LYS NZ :NH3+ 160:sc= -0.0231 (180deg=-0.461) USER MOD Single : A 67 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.179) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -2.65! C(o=-2.7!,f=-3.2!) USER MOD Single : A 74 SER OG : rot 150:sc= -0.0509 USER MOD Single : A 76 GLN : amide:sc= -0.0585 K(o=-0.059,f=-1.8!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -140:sc= 0.0737 (180deg=-0.763) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 70:sc= 0.325 USER MOD Single : A 92 SER OG : rot -68:sc= 0.624 USER MOD Single : A 94 ASN : amide:sc= -1.66 K(o=-1.7,f=-2.2!) USER MOD Single : A 95 MET CE :methyl 152:sc= -0.0712 (180deg=-1.51) USER MOD Single : A 102 CYS SG : rot -104:sc= 0.545 USER MOD Single : A 108 LYS NZ :NH3+ 162:sc= -0.152 (180deg=-0.755) USER MOD Single : A 112 ASN : amide:sc= -1.97! C(o=-2!,f=-2.1!) USER MOD Single : A 114 MET CE :methyl 147:sc= -3.01 (180deg=-7.72!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot -39:sc= -1.17 USER MOD Single : A 119 TYR OH : rot -151:sc= -2.7! USER MOD Single : A 124 LYS NZ :NH3+ 161:sc= -0.139 (180deg=-0.744) USER MOD Single : A 125 SER OG : rot 170:sc= -0.249 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot -149:sc= -2.92! USER MOD Single : A 133 ASN : amide:sc= -2.44! C(o=-2.4!,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 5 -8.336 2.521 -15.094 1.00 17.32 N ATOM 2 CA VAL A 5 -8.750 1.902 -13.797 1.00 16.53 C ATOM 3 C VAL A 5 -10.266 2.055 -13.646 1.00 15.62 C ATOM 4 O VAL A 5 -10.816 3.112 -13.886 1.00 15.21 O ATOM 5 CB VAL A 5 -8.046 2.626 -12.648 1.00 17.91 C ATOM 6 CG1 VAL A 5 -8.307 1.893 -11.331 1.00 18.70 C ATOM 7 CG2 VAL A 5 -6.542 2.669 -12.917 1.00 17.86 C ATOM 0 HA VAL A 5 -8.479 0.846 -13.778 1.00 16.53 H new ATOM 0 HB VAL A 5 -8.434 3.642 -12.575 1.00 17.91 H new ATOM 0 HG11 VAL A 5 -7.802 2.415 -10.518 1.00 18.70 H new ATOM 0 HG12 VAL A 5 -9.379 1.867 -11.135 1.00 18.70 H new ATOM 0 HG13 VAL A 5 -7.926 0.874 -11.400 1.00 18.70 H new ATOM 0 HG21 VAL A 5 -6.041 3.185 -12.098 1.00 17.86 H new ATOM 0 HG22 VAL A 5 -6.157 1.652 -12.995 1.00 17.86 H new ATOM 0 HG23 VAL A 5 -6.354 3.201 -13.850 1.00 17.86 H new ATOM 17 N SER A 6 -10.950 1.011 -13.269 1.00 15.43 N ATOM 18 CA SER A 6 -12.431 1.111 -13.126 1.00 14.66 C ATOM 19 C SER A 6 -12.785 1.899 -11.863 1.00 13.40 C ATOM 20 O SER A 6 -12.010 1.992 -10.931 1.00 12.58 O ATOM 21 CB SER A 6 -13.033 -0.290 -13.032 1.00 15.49 C ATOM 22 OG SER A 6 -12.673 -0.874 -11.788 1.00 15.97 O ATOM 0 H SER A 6 -10.551 0.097 -13.054 1.00 15.43 H new ATOM 0 HA SER A 6 -12.836 1.627 -13.997 1.00 14.66 H new ATOM 0 HB2 SER A 6 -14.118 -0.239 -13.122 1.00 15.49 H new ATOM 0 HB3 SER A 6 -12.674 -0.908 -13.855 1.00 15.49 H new ATOM 0 HG SER A 6 -13.059 -1.772 -11.724 1.00 15.97 H new ATOM 28 N GLN A 7 -13.960 2.466 -11.834 1.00 13.37 N ATOM 29 CA GLN A 7 -14.394 3.250 -10.647 1.00 12.23 C ATOM 30 C GLN A 7 -14.698 2.287 -9.492 1.00 11.36 C ATOM 31 O GLN A 7 -14.712 2.660 -8.339 1.00 10.97 O ATOM 32 CB GLN A 7 -15.640 4.060 -11.022 1.00 13.19 C ATOM 33 CG GLN A 7 -15.252 5.108 -12.070 1.00 13.36 C ATOM 34 CD GLN A 7 -16.499 5.831 -12.580 1.00 13.61 C ATOM 35 OE1 GLN A 7 -17.581 5.276 -12.589 1.00 13.82 O ATOM 36 NE2 GLN A 7 -16.390 7.056 -13.013 1.00 13.77 N ATOM 0 H GLN A 7 -14.643 2.418 -12.590 1.00 13.37 H new ATOM 0 HA GLN A 7 -13.608 3.935 -10.330 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -16.414 3.401 -11.416 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -16.054 4.546 -10.138 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -14.558 5.827 -11.636 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -14.735 4.628 -12.901 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -15.482 7.521 -13.005 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -17.213 7.550 -13.360 1.00 13.77 H new ATOM 45 N GLU A 8 -14.953 1.049 -9.798 1.00 13.01 N ATOM 46 CA GLU A 8 -15.252 0.056 -8.725 1.00 12.24 C ATOM 47 C GLU A 8 -13.988 -0.245 -7.902 1.00 11.73 C ATOM 48 O GLU A 8 -14.047 -0.428 -6.702 1.00 11.71 O ATOM 49 CB GLU A 8 -15.757 -1.238 -9.364 1.00 13.27 C ATOM 50 CG GLU A 8 -17.149 -1.005 -9.955 1.00 13.55 C ATOM 51 CD GLU A 8 -17.611 -2.272 -10.670 1.00 14.55 C ATOM 52 OE1 GLU A 8 -16.846 -3.221 -10.701 1.00 15.06 O ATOM 53 OE2 GLU A 8 -18.723 -2.273 -11.174 1.00 14.92 O ATOM 0 H GLU A 8 -14.968 0.677 -10.748 1.00 13.01 H new ATOM 0 HA GLU A 8 -16.013 0.470 -8.063 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -15.069 -1.564 -10.144 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -15.795 -2.033 -8.620 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -17.853 -0.742 -9.165 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -17.125 -0.168 -10.653 1.00 13.55 H new ATOM 60 N GLU A 9 -12.852 -0.338 -8.546 1.00 11.46 N ATOM 61 CA GLU A 9 -11.590 -0.676 -7.813 1.00 11.12 C ATOM 62 C GLU A 9 -11.124 0.484 -6.923 1.00 10.28 C ATOM 63 O GLU A 9 -10.725 0.283 -5.794 1.00 10.32 O ATOM 64 CB GLU A 9 -10.497 -0.964 -8.838 1.00 12.40 C ATOM 65 CG GLU A 9 -10.799 -2.278 -9.548 1.00 13.24 C ATOM 66 CD GLU A 9 -9.778 -2.484 -10.665 1.00 14.08 C ATOM 67 OE1 GLU A 9 -9.138 -1.515 -11.034 1.00 14.26 O ATOM 68 OE2 GLU A 9 -9.655 -3.605 -11.128 1.00 14.68 O ATOM 0 H GLU A 9 -12.742 -0.194 -9.550 1.00 11.46 H new ATOM 0 HA GLU A 9 -11.784 -1.541 -7.179 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -10.440 -0.152 -9.563 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -9.527 -1.020 -8.345 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -10.756 -3.107 -8.841 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -11.809 -2.261 -9.959 1.00 13.24 H new ATOM 75 N VAL A 10 -11.153 1.685 -7.421 1.00 9.75 N ATOM 76 CA VAL A 10 -10.691 2.845 -6.601 1.00 9.10 C ATOM 77 C VAL A 10 -11.565 2.996 -5.352 1.00 7.91 C ATOM 78 O VAL A 10 -11.083 3.296 -4.284 1.00 7.70 O ATOM 79 CB VAL A 10 -10.755 4.119 -7.448 1.00 10.81 C ATOM 80 CG1 VAL A 10 -9.788 3.988 -8.636 1.00 11.69 C ATOM 81 CG2 VAL A 10 -12.184 4.320 -7.967 1.00 11.17 C ATOM 0 H VAL A 10 -11.476 1.918 -8.360 1.00 9.75 H new ATOM 0 HA VAL A 10 -9.663 2.673 -6.281 1.00 9.10 H new ATOM 0 HB VAL A 10 -10.470 4.977 -6.839 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -9.831 4.893 -9.242 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -8.773 3.847 -8.265 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -10.074 3.130 -9.245 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -12.228 5.227 -8.570 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -12.473 3.464 -8.577 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -12.868 4.411 -7.123 1.00 11.17 H new ATOM 91 N LYS A 11 -12.845 2.792 -5.467 1.00 7.38 N ATOM 92 CA LYS A 11 -13.720 2.930 -4.266 1.00 6.32 C ATOM 93 C LYS A 11 -13.272 1.932 -3.200 1.00 5.68 C ATOM 94 O LYS A 11 -13.360 2.199 -2.016 1.00 5.93 O ATOM 95 CB LYS A 11 -15.180 2.660 -4.645 1.00 8.26 C ATOM 96 CG LYS A 11 -15.738 3.799 -5.526 1.00 8.64 C ATOM 97 CD LYS A 11 -15.752 5.165 -4.801 1.00 9.23 C ATOM 98 CE LYS A 11 -16.292 5.038 -3.369 1.00 9.91 C ATOM 99 NZ LYS A 11 -17.499 4.161 -3.360 1.00 10.51 N ATOM 0 H LYS A 11 -13.323 2.538 -6.331 1.00 7.38 H new ATOM 0 HA LYS A 11 -13.640 3.945 -3.876 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.252 1.712 -5.179 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -15.783 2.564 -3.742 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -15.137 3.880 -6.432 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -16.752 3.548 -5.838 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -14.742 5.574 -4.775 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -16.367 5.869 -5.362 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -15.524 4.622 -2.717 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -16.544 6.023 -2.977 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -18.222 4.572 -2.735 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -17.879 4.084 -4.325 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -17.239 3.216 -3.014 1.00 10.51 H new ATOM 113 N LYS A 12 -12.783 0.792 -3.601 1.00 5.08 N ATOM 114 CA LYS A 12 -12.322 -0.205 -2.594 1.00 4.72 C ATOM 115 C LYS A 12 -11.169 0.413 -1.816 1.00 4.34 C ATOM 116 O LYS A 12 -10.954 0.123 -0.657 1.00 4.65 O ATOM 117 CB LYS A 12 -11.823 -1.473 -3.285 1.00 6.91 C ATOM 118 CG LYS A 12 -12.997 -2.214 -3.921 1.00 7.86 C ATOM 119 CD LYS A 12 -12.474 -3.423 -4.708 1.00 8.86 C ATOM 120 CE LYS A 12 -11.829 -4.445 -3.756 1.00 9.89 C ATOM 121 NZ LYS A 12 -10.405 -4.077 -3.507 1.00 10.82 N ATOM 0 H LYS A 12 -12.683 0.508 -4.576 1.00 5.08 H new ATOM 0 HA LYS A 12 -13.150 -0.467 -1.935 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -11.087 -1.217 -4.047 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.322 -2.118 -2.563 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -13.694 -2.543 -3.150 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -13.547 -1.546 -4.584 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -13.293 -3.891 -5.254 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -11.744 -3.095 -5.448 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -12.377 -4.474 -2.814 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -11.886 -5.444 -4.188 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -9.782 -4.804 -3.913 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -10.201 -3.159 -3.951 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -10.238 -4.011 -2.483 1.00 10.82 H new ATOM 135 N TRP A 13 -10.419 1.264 -2.446 1.00 4.15 N ATOM 136 CA TRP A 13 -9.284 1.896 -1.736 1.00 3.58 C ATOM 137 C TRP A 13 -9.836 2.658 -0.538 1.00 2.38 C ATOM 138 O TRP A 13 -9.205 2.758 0.485 1.00 2.83 O ATOM 139 CB TRP A 13 -8.561 2.860 -2.673 1.00 4.70 C ATOM 140 CG TRP A 13 -8.060 2.128 -3.889 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.162 0.787 -4.111 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.377 2.674 -5.053 1.00 5.21 C ATOM 143 NE1 TRP A 13 -7.586 0.491 -5.330 1.00 5.86 N ATOM 144 CE2 TRP A 13 -7.088 1.615 -5.947 1.00 5.70 C ATOM 145 CE3 TRP A 13 -6.984 3.971 -5.418 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -6.434 1.835 -7.156 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -6.324 4.196 -6.638 1.00 5.91 C ATOM 148 CH2 TRP A 13 -6.049 3.131 -7.504 1.00 6.26 C ATOM 0 H TRP A 13 -10.542 1.548 -3.418 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.577 1.135 -1.405 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -9.237 3.660 -2.974 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.726 3.327 -2.151 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -8.619 0.073 -3.442 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -7.536 -0.448 -5.725 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -7.190 4.800 -4.758 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -6.226 1.009 -7.820 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -6.027 5.198 -6.910 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -5.540 3.312 -8.439 1.00 6.26 H new ATOM 159 N ALA A 14 -11.019 3.187 -0.653 1.00 0.01 N ATOM 160 CA ALA A 14 -11.613 3.927 0.494 1.00 0.01 C ATOM 161 C ALA A 14 -12.248 2.919 1.455 1.00 0.01 C ATOM 162 O ALA A 14 -12.700 3.269 2.528 1.00 0.01 O ATOM 163 CB ALA A 14 -12.682 4.895 -0.016 1.00 0.00 C ATOM 0 H ALA A 14 -11.601 3.140 -1.490 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.838 4.494 1.010 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -13.115 5.435 0.826 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.230 5.605 -0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.464 4.336 -0.529 1.00 0.00 H new ATOM 169 N GLU A 15 -12.293 1.668 1.074 1.00 0.01 N ATOM 170 CA GLU A 15 -12.909 0.632 1.961 1.00 0.01 C ATOM 171 C GLU A 15 -11.864 0.038 2.919 1.00 0.01 C ATOM 172 O GLU A 15 -12.173 -0.282 4.049 1.00 0.01 O ATOM 173 CB GLU A 15 -13.495 -0.501 1.113 1.00 0.01 C ATOM 174 CG GLU A 15 -14.699 0.015 0.322 1.00 0.01 C ATOM 175 CD GLU A 15 -15.277 -1.121 -0.523 1.00 0.01 C ATOM 176 OE1 GLU A 15 -14.670 -2.179 -0.552 1.00 0.01 O ATOM 177 OE2 GLU A 15 -16.319 -0.913 -1.123 1.00 0.01 O ATOM 0 H GLU A 15 -11.930 1.318 0.187 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.696 1.114 2.542 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -12.738 -0.886 0.430 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.797 -1.329 1.754 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -15.458 0.399 1.003 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -14.399 0.843 -0.319 1.00 0.01 H new ATOM 184 N SER A 16 -10.635 -0.135 2.488 1.00 0.01 N ATOM 185 CA SER A 16 -9.616 -0.737 3.408 1.00 0.01 C ATOM 186 C SER A 16 -8.211 -0.677 2.800 1.00 0.00 C ATOM 187 O SER A 16 -8.025 -0.811 1.606 1.00 0.00 O ATOM 188 CB SER A 16 -9.979 -2.198 3.664 1.00 0.01 C ATOM 189 OG SER A 16 -10.180 -2.855 2.419 1.00 0.01 O ATOM 0 H SER A 16 -10.298 0.109 1.557 1.00 0.01 H new ATOM 0 HA SER A 16 -9.616 -0.168 4.338 1.00 0.01 H new ATOM 0 HB2 SER A 16 -9.184 -2.690 4.224 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.882 -2.260 4.271 1.00 0.01 H new ATOM 0 HG SER A 16 -10.095 -3.823 2.543 1.00 0.01 H new ATOM 195 N LEU A 17 -7.222 -0.487 3.635 1.00 0.00 N ATOM 196 CA LEU A 17 -5.810 -0.416 3.156 1.00 0.00 C ATOM 197 C LEU A 17 -5.419 -1.710 2.460 1.00 0.01 C ATOM 198 O LEU A 17 -4.797 -1.700 1.416 1.00 0.00 O ATOM 199 CB LEU A 17 -4.896 -0.175 4.360 1.00 0.01 C ATOM 200 CG LEU A 17 -3.419 -0.221 3.940 1.00 0.00 C ATOM 201 CD1 LEU A 17 -3.140 0.859 2.886 1.00 0.01 C ATOM 202 CD2 LEU A 17 -2.543 0.028 5.175 1.00 0.00 C ATOM 0 H LEU A 17 -7.335 -0.377 4.643 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.709 0.400 2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.122 0.793 4.806 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -5.086 -0.930 5.123 1.00 0.01 H new ATOM 0 HG LEU A 17 -3.191 -1.198 3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.091 0.820 2.594 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.767 0.685 2.012 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -3.364 1.841 3.303 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -1.492 -0.003 4.888 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.776 1.006 5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.738 -0.743 5.921 1.00 0.00 H new ATOM 214 N GLU A 18 -5.757 -2.826 3.025 1.00 0.01 N ATOM 215 CA GLU A 18 -5.380 -4.111 2.389 1.00 0.00 C ATOM 216 C GLU A 18 -5.798 -4.083 0.921 1.00 0.00 C ATOM 217 O GLU A 18 -5.082 -4.538 0.057 1.00 0.01 O ATOM 218 CB GLU A 18 -6.122 -5.245 3.089 1.00 0.01 C ATOM 219 CG GLU A 18 -5.574 -5.443 4.502 1.00 0.01 C ATOM 220 CD GLU A 18 -6.415 -6.498 5.220 1.00 0.00 C ATOM 221 OE1 GLU A 18 -7.371 -6.968 4.624 1.00 0.01 O ATOM 222 OE2 GLU A 18 -6.092 -6.819 6.350 1.00 0.01 O ATOM 0 H GLU A 18 -6.277 -2.906 3.899 1.00 0.01 H new ATOM 0 HA GLU A 18 -4.303 -4.261 2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.187 -5.019 3.133 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -6.015 -6.167 2.517 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -4.531 -5.758 4.460 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -5.601 -4.502 5.052 1.00 0.01 H new ATOM 229 N ASN A 19 -6.955 -3.556 0.640 1.00 0.01 N ATOM 230 CA ASN A 19 -7.436 -3.503 -0.768 1.00 0.00 C ATOM 231 C ASN A 19 -6.527 -2.604 -1.617 1.00 0.00 C ATOM 232 O ASN A 19 -6.156 -2.955 -2.716 1.00 0.01 O ATOM 233 CB ASN A 19 -8.861 -2.951 -0.784 1.00 0.01 C ATOM 234 CG ASN A 19 -9.807 -3.985 -0.170 1.00 0.01 C ATOM 235 OD1 ASN A 19 -9.470 -5.148 -0.065 1.00 0.01 O ATOM 236 ND2 ASN A 19 -10.990 -3.611 0.234 1.00 0.01 N ATOM 0 H ASN A 19 -7.593 -3.157 1.329 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.417 -4.508 -1.189 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.909 -2.018 -0.223 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -9.165 -2.724 -1.806 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -11.631 -4.294 0.637 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -11.274 -2.635 0.146 1.00 0.01 H new ATOM 243 N LEU A 20 -6.159 -1.453 -1.125 1.00 0.00 N ATOM 244 CA LEU A 20 -5.281 -0.557 -1.934 1.00 0.01 C ATOM 245 C LEU A 20 -3.965 -1.278 -2.239 1.00 0.01 C ATOM 246 O LEU A 20 -3.498 -1.289 -3.358 1.00 0.00 O ATOM 247 CB LEU A 20 -4.992 0.738 -1.145 1.00 0.00 C ATOM 248 CG LEU A 20 -4.036 1.668 -1.924 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.724 2.222 -3.174 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.629 2.841 -1.026 1.00 0.01 C ATOM 0 H LEU A 20 -6.424 -1.095 -0.207 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.782 -0.303 -2.868 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -5.927 1.260 -0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.553 0.488 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.159 1.094 -2.223 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -4.035 2.875 -3.710 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -5.020 1.397 -3.822 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.608 2.789 -2.882 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -2.954 3.500 -1.572 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.518 3.397 -0.729 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -3.125 2.461 -0.137 1.00 0.01 H new ATOM 262 N ILE A 21 -3.346 -1.853 -1.248 1.00 0.01 N ATOM 263 CA ILE A 21 -2.043 -2.540 -1.478 1.00 0.00 C ATOM 264 C ILE A 21 -2.249 -3.945 -2.086 1.00 0.00 C ATOM 265 O ILE A 21 -1.343 -4.507 -2.663 1.00 0.00 O ATOM 266 CB ILE A 21 -1.294 -2.634 -0.135 1.00 0.00 C ATOM 267 CG1 ILE A 21 0.205 -2.845 -0.380 1.00 0.00 C ATOM 268 CG2 ILE A 21 -1.844 -3.798 0.690 1.00 0.00 C ATOM 269 CD1 ILE A 21 0.955 -2.807 0.954 1.00 0.01 C ATOM 0 H ILE A 21 -3.685 -1.878 -0.286 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.454 -1.964 -2.192 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.440 -1.703 0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.371 -3.802 -0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.587 -2.071 -1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.309 -3.857 1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -2.905 -3.639 0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.711 -4.729 0.139 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.020 -2.957 0.777 1.00 0.01 H new ATOM 0 HD12 ILE A 21 0.799 -1.840 1.431 1.00 0.01 H new ATOM 0 HD13 ILE A 21 0.580 -3.597 1.605 1.00 0.01 H new ATOM 281 N ASN A 22 -3.415 -4.529 -1.955 1.00 0.00 N ATOM 282 CA ASN A 22 -3.627 -5.904 -2.526 1.00 0.01 C ATOM 283 C ASN A 22 -4.194 -5.811 -3.943 1.00 0.01 C ATOM 284 O ASN A 22 -4.386 -6.810 -4.608 1.00 0.01 O ATOM 285 CB ASN A 22 -4.617 -6.676 -1.659 1.00 0.01 C ATOM 286 CG ASN A 22 -3.991 -6.940 -0.291 1.00 0.01 C ATOM 287 OD1 ASN A 22 -2.783 -6.945 -0.156 1.00 0.01 O ATOM 288 ND2 ASN A 22 -4.762 -7.160 0.735 1.00 0.01 N ATOM 0 H ASN A 22 -4.223 -4.122 -1.484 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.666 -6.417 -2.549 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -5.540 -6.107 -1.546 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -4.881 -7.618 -2.139 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -4.352 -7.337 1.652 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -5.776 -7.156 0.621 1.00 0.01 H new ATOM 295 N HIS A 23 -4.473 -4.627 -4.409 1.00 0.01 N ATOM 296 CA HIS A 23 -5.041 -4.475 -5.780 1.00 0.01 C ATOM 297 C HIS A 23 -3.901 -4.249 -6.778 1.00 0.01 C ATOM 298 O HIS A 23 -2.943 -3.560 -6.494 1.00 0.01 O ATOM 299 CB HIS A 23 -5.981 -3.271 -5.799 1.00 0.00 C ATOM 300 CG HIS A 23 -6.791 -3.277 -7.061 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.315 -2.744 -8.246 1.00 0.01 N ATOM 302 CD2 HIS A 23 -8.053 -3.738 -7.334 1.00 0.01 C ATOM 303 CE1 HIS A 23 -7.279 -2.898 -9.173 1.00 0.01 C ATOM 304 NE2 HIS A 23 -8.359 -3.499 -8.667 1.00 0.01 N ATOM 0 H HIS A 23 -4.332 -3.755 -3.900 1.00 0.01 H new ATOM 0 HA HIS A 23 -5.591 -5.375 -6.055 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -6.641 -3.300 -4.932 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.405 -2.348 -5.730 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.709 -4.215 -6.621 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -7.190 -2.575 -10.200 1.00 0.01 H new ATOM 0 HE2 HIS A 23 -9.224 -3.732 -9.155 1.00 0.01 H new ATOM 312 N GLU A 24 -3.996 -4.829 -7.945 1.00 0.01 N ATOM 313 CA GLU A 24 -2.914 -4.650 -8.955 1.00 0.01 C ATOM 314 C GLU A 24 -2.761 -3.170 -9.296 1.00 0.01 C ATOM 315 O GLU A 24 -1.662 -2.673 -9.459 1.00 0.01 O ATOM 316 CB GLU A 24 -3.250 -5.431 -10.225 1.00 0.01 C ATOM 317 CG GLU A 24 -2.153 -5.192 -11.267 1.00 0.01 C ATOM 318 CD GLU A 24 -2.324 -6.168 -12.429 1.00 0.01 C ATOM 319 OE1 GLU A 24 -3.356 -6.817 -12.488 1.00 0.00 O ATOM 320 OE2 GLU A 24 -1.414 -6.262 -13.237 1.00 0.01 O ATOM 0 H GLU A 24 -4.774 -5.418 -8.241 1.00 0.01 H new ATOM 0 HA GLU A 24 -1.979 -5.024 -8.538 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -3.331 -6.495 -10.002 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -4.216 -5.113 -10.617 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -2.202 -4.166 -11.631 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -1.171 -5.322 -10.812 1.00 0.01 H new ATOM 327 N CYS A 25 -3.844 -2.455 -9.411 1.00 0.01 N ATOM 328 CA CYS A 25 -3.734 -1.009 -9.747 1.00 0.01 C ATOM 329 C CYS A 25 -3.460 -0.234 -8.469 1.00 0.01 C ATOM 330 O CYS A 25 -2.686 0.702 -8.457 1.00 0.00 O ATOM 331 CB CYS A 25 -5.036 -0.507 -10.365 1.00 0.01 C ATOM 332 SG CYS A 25 -4.915 1.282 -10.612 1.00 0.00 S ATOM 0 H CYS A 25 -4.794 -2.806 -9.288 1.00 0.01 H new ATOM 0 HA CYS A 25 -2.925 -0.866 -10.464 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -5.220 -1.007 -11.316 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.878 -0.742 -9.713 1.00 0.01 H new ATOM 0 HG CYS A 25 -5.446 1.897 -9.597 1.00 0.00 H new ATOM 338 N GLY A 26 -4.063 -0.623 -7.383 1.00 0.01 N ATOM 339 CA GLY A 26 -3.797 0.098 -6.113 1.00 0.01 C ATOM 340 C GLY A 26 -2.305 -0.018 -5.820 1.00 0.01 C ATOM 341 O GLY A 26 -1.668 0.929 -5.408 1.00 0.01 O ATOM 0 H GLY A 26 -4.721 -1.400 -7.320 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -4.090 1.144 -6.198 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -4.381 -0.331 -5.299 1.00 0.01 H new ATOM 345 N LEU A 27 -1.734 -1.168 -6.065 1.00 0.01 N ATOM 346 CA LEU A 27 -0.274 -1.328 -5.835 1.00 0.00 C ATOM 347 C LEU A 27 0.471 -0.328 -6.720 1.00 0.00 C ATOM 348 O LEU A 27 1.314 0.416 -6.266 1.00 0.00 O ATOM 349 CB LEU A 27 0.159 -2.749 -6.230 1.00 0.00 C ATOM 350 CG LEU A 27 -0.177 -3.745 -5.113 1.00 0.00 C ATOM 351 CD1 LEU A 27 -0.040 -5.169 -5.659 1.00 0.00 C ATOM 352 CD2 LEU A 27 0.786 -3.560 -3.915 1.00 0.01 C ATOM 0 H LEU A 27 -2.215 -1.998 -6.413 1.00 0.01 H new ATOM 0 HA LEU A 27 -0.048 -1.155 -4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.342 -3.045 -7.152 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.230 -2.766 -6.430 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.197 -3.568 -4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.277 -5.885 -4.872 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.728 -5.306 -6.493 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.982 -5.331 -6.001 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.534 -4.274 -3.132 1.00 0.01 H new ATOM 0 HD22 LEU A 27 1.812 -3.729 -4.243 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.692 -2.546 -3.526 1.00 0.01 H new ATOM 364 N ALA A 28 0.156 -0.300 -7.990 1.00 0.00 N ATOM 365 CA ALA A 28 0.843 0.654 -8.903 1.00 0.00 C ATOM 366 C ALA A 28 0.585 2.079 -8.421 1.00 0.01 C ATOM 367 O ALA A 28 1.483 2.894 -8.344 1.00 0.00 O ATOM 368 CB ALA A 28 0.302 0.492 -10.325 1.00 0.00 C ATOM 0 H ALA A 28 -0.545 -0.896 -8.430 1.00 0.00 H new ATOM 0 HA ALA A 28 1.914 0.451 -8.903 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.808 1.193 -10.989 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.481 -0.527 -10.668 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.769 0.695 -10.332 1.00 0.00 H new ATOM 374 N ALA A 29 -0.637 2.378 -8.084 1.00 0.00 N ATOM 375 CA ALA A 29 -0.958 3.743 -7.590 1.00 0.01 C ATOM 376 C ALA A 29 -0.262 3.941 -6.249 1.00 0.00 C ATOM 377 O ALA A 29 0.380 4.943 -6.006 1.00 0.00 O ATOM 378 CB ALA A 29 -2.472 3.880 -7.403 1.00 0.01 C ATOM 0 H ALA A 29 -1.428 1.735 -8.130 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.620 4.491 -8.307 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.705 4.881 -7.041 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.973 3.713 -8.357 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.817 3.143 -6.678 1.00 0.01 H new ATOM 384 N PHE A 30 -0.386 2.979 -5.377 1.00 0.00 N ATOM 385 CA PHE A 30 0.263 3.085 -4.046 1.00 0.00 C ATOM 386 C PHE A 30 1.777 3.206 -4.218 1.00 0.00 C ATOM 387 O PHE A 30 2.400 4.080 -3.653 1.00 0.00 O ATOM 388 CB PHE A 30 -0.084 1.855 -3.209 1.00 0.00 C ATOM 389 CG PHE A 30 0.528 1.985 -1.829 1.00 0.00 C ATOM 390 CD1 PHE A 30 0.163 3.052 -0.990 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.464 1.042 -1.389 1.00 0.00 C ATOM 392 CE1 PHE A 30 0.735 3.169 0.280 1.00 0.00 C ATOM 393 CE2 PHE A 30 2.032 1.161 -0.117 1.00 0.00 C ATOM 394 CZ PHE A 30 1.670 2.225 0.716 1.00 0.00 C ATOM 0 H PHE A 30 -0.913 2.120 -5.533 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.101 3.974 -3.532 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.166 1.752 -3.129 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.287 0.954 -3.698 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.559 3.781 -1.326 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.748 0.222 -2.032 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.455 3.989 0.925 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.751 0.431 0.223 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.113 2.317 1.697 1.00 0.00 H new ATOM 404 N LYS A 31 2.382 2.354 -5.003 1.00 0.00 N ATOM 405 CA LYS A 31 3.857 2.461 -5.193 1.00 0.00 C ATOM 406 C LYS A 31 4.185 3.835 -5.770 1.00 0.00 C ATOM 407 O LYS A 31 5.143 4.467 -5.373 1.00 0.00 O ATOM 408 CB LYS A 31 4.353 1.362 -6.138 1.00 0.00 C ATOM 409 CG LYS A 31 4.271 0.007 -5.429 1.00 0.00 C ATOM 410 CD LYS A 31 4.763 -1.100 -6.365 1.00 0.00 C ATOM 411 CE LYS A 31 4.680 -2.457 -5.656 1.00 0.01 C ATOM 412 NZ LYS A 31 4.585 -3.535 -6.680 1.00 0.00 N ATOM 0 H LYS A 31 1.926 1.599 -5.514 1.00 0.00 H new ATOM 0 HA LYS A 31 4.356 2.338 -4.232 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.749 1.347 -7.045 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.380 1.564 -6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.875 0.024 -4.522 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.244 -0.192 -5.124 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.159 -1.116 -7.272 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.791 -0.901 -6.669 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.559 -2.609 -5.030 1.00 0.01 H new ATOM 0 HE3 LYS A 31 3.811 -2.485 -4.998 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 4.528 -4.459 -6.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.733 -3.390 -7.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.427 -3.510 -7.290 1.00 0.00 H new ATOM 426 N ALA A 32 3.389 4.322 -6.681 1.00 0.00 N ATOM 427 CA ALA A 32 3.663 5.675 -7.241 1.00 0.00 C ATOM 428 C ALA A 32 3.427 6.704 -6.133 1.00 0.01 C ATOM 429 O ALA A 32 4.183 7.640 -5.962 1.00 0.00 O ATOM 430 CB ALA A 32 2.715 5.945 -8.410 1.00 0.00 C ATOM 0 H ALA A 32 2.569 3.848 -7.059 1.00 0.00 H new ATOM 0 HA ALA A 32 4.690 5.739 -7.601 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.915 6.935 -8.820 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.869 5.194 -9.184 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.684 5.899 -8.060 1.00 0.00 H new ATOM 436 N PHE A 33 2.388 6.520 -5.363 1.00 0.00 N ATOM 437 CA PHE A 33 2.101 7.460 -4.242 1.00 0.00 C ATOM 438 C PHE A 33 3.279 7.465 -3.267 1.00 0.00 C ATOM 439 O PHE A 33 3.707 8.499 -2.800 1.00 0.00 O ATOM 440 CB PHE A 33 0.835 7.004 -3.522 1.00 0.00 C ATOM 441 CG PHE A 33 0.555 7.911 -2.350 1.00 0.00 C ATOM 442 CD1 PHE A 33 -0.239 9.051 -2.518 1.00 0.00 C ATOM 443 CD2 PHE A 33 1.079 7.602 -1.090 1.00 0.00 C ATOM 444 CE1 PHE A 33 -0.508 9.882 -1.424 1.00 0.01 C ATOM 445 CE2 PHE A 33 0.813 8.433 0.004 1.00 0.00 C ATOM 446 CZ PHE A 33 0.019 9.573 -0.165 1.00 0.00 C ATOM 0 H PHE A 33 1.722 5.754 -5.464 1.00 0.00 H new ATOM 0 HA PHE A 33 1.956 8.468 -4.631 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.009 7.015 -4.211 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.952 5.976 -3.178 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.644 9.289 -3.490 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.690 6.721 -0.962 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.122 10.761 -1.552 1.00 0.01 H new ATOM 0 HE2 PHE A 33 1.219 8.195 0.976 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.187 10.216 0.678 1.00 0.00 H new ATOM 456 N LEU A 34 3.810 6.315 -2.963 1.00 0.00 N ATOM 457 CA LEU A 34 4.964 6.254 -2.020 1.00 0.00 C ATOM 458 C LEU A 34 6.115 7.061 -2.611 1.00 0.00 C ATOM 459 O LEU A 34 6.820 7.763 -1.914 1.00 0.00 O ATOM 460 CB LEU A 34 5.412 4.802 -1.844 1.00 0.00 C ATOM 461 CG LEU A 34 4.350 3.997 -1.078 1.00 0.00 C ATOM 462 CD1 LEU A 34 4.690 2.492 -1.156 1.00 0.00 C ATOM 463 CD2 LEU A 34 4.307 4.439 0.398 1.00 0.00 C ATOM 0 H LEU A 34 3.497 5.415 -3.325 1.00 0.00 H new ATOM 0 HA LEU A 34 4.671 6.660 -1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.586 4.349 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.359 4.771 -1.305 1.00 0.00 H new ATOM 0 HG LEU A 34 3.375 4.178 -1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.937 1.920 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.703 2.176 -2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.670 2.317 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.551 3.861 0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.281 4.270 0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.059 5.499 0.453 1.00 0.00 H new ATOM 475 N LYS A 35 6.301 6.965 -3.896 1.00 0.00 N ATOM 476 CA LYS A 35 7.395 7.723 -4.555 1.00 0.00 C ATOM 477 C LYS A 35 7.173 9.215 -4.302 1.00 0.01 C ATOM 478 O LYS A 35 8.099 9.959 -4.044 1.00 0.00 O ATOM 479 CB LYS A 35 7.348 7.452 -6.060 1.00 0.00 C ATOM 480 CG LYS A 35 8.602 8.014 -6.725 1.00 0.00 C ATOM 481 CD LYS A 35 8.543 7.745 -8.228 1.00 0.00 C ATOM 482 CE LYS A 35 9.850 8.198 -8.873 1.00 0.00 C ATOM 483 NZ LYS A 35 10.986 7.453 -8.263 1.00 0.01 N ATOM 0 H LYS A 35 5.737 6.389 -4.522 1.00 0.00 H new ATOM 0 HA LYS A 35 8.363 7.418 -4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.277 6.380 -6.244 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.459 7.910 -6.494 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.677 9.085 -6.539 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.492 7.553 -6.296 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.382 6.683 -8.413 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.702 8.277 -8.672 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.819 8.020 -9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.986 9.270 -8.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.786 7.434 -8.928 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 11.278 7.925 -7.383 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 10.689 6.479 -8.051 1.00 0.01 H new ATOM 497 N SER A 36 5.945 9.654 -4.362 1.00 0.00 N ATOM 498 CA SER A 36 5.647 11.091 -4.112 1.00 0.00 C ATOM 499 C SER A 36 6.101 11.458 -2.698 1.00 0.00 C ATOM 500 O SER A 36 6.617 12.533 -2.458 1.00 0.00 O ATOM 501 CB SER A 36 4.144 11.335 -4.249 1.00 0.00 C ATOM 502 OG SER A 36 3.734 11.006 -5.569 1.00 0.00 O ATOM 0 H SER A 36 5.132 9.075 -4.575 1.00 0.00 H new ATOM 0 HA SER A 36 6.177 11.707 -4.838 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.598 10.730 -3.525 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.912 12.378 -4.033 1.00 0.00 H new ATOM 0 HG SER A 36 2.770 11.160 -5.660 1.00 0.00 H new ATOM 508 N GLU A 37 5.908 10.569 -1.758 1.00 0.00 N ATOM 509 CA GLU A 37 6.320 10.849 -0.348 1.00 0.00 C ATOM 510 C GLU A 37 7.668 10.181 -0.081 1.00 0.00 C ATOM 511 O GLU A 37 8.154 10.167 1.032 1.00 0.00 O ATOM 512 CB GLU A 37 5.284 10.257 0.612 1.00 0.00 C ATOM 513 CG GLU A 37 3.951 10.993 0.461 1.00 0.00 C ATOM 514 CD GLU A 37 2.929 10.389 1.426 1.00 0.01 C ATOM 515 OE1 GLU A 37 3.226 9.354 2.000 1.00 0.00 O ATOM 516 OE2 GLU A 37 1.866 10.969 1.574 1.00 0.00 O ATOM 0 H GLU A 37 5.480 9.655 -1.907 1.00 0.00 H new ATOM 0 HA GLU A 37 6.394 11.926 -0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.148 9.196 0.405 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.640 10.338 1.639 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.083 12.055 0.670 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.592 10.912 -0.565 1.00 0.00 H new ATOM 523 N TYR A 38 8.271 9.629 -1.099 1.00 0.00 N ATOM 524 CA TYR A 38 9.591 8.958 -0.930 1.00 0.00 C ATOM 525 C TYR A 38 9.487 7.870 0.137 1.00 0.00 C ATOM 526 O TYR A 38 10.448 7.557 0.810 1.00 0.00 O ATOM 527 CB TYR A 38 10.647 9.986 -0.517 1.00 0.00 C ATOM 528 CG TYR A 38 10.765 11.041 -1.591 1.00 0.00 C ATOM 529 CD1 TYR A 38 11.615 10.828 -2.680 1.00 0.00 C ATOM 530 CD2 TYR A 38 10.027 12.227 -1.499 1.00 0.00 C ATOM 531 CE1 TYR A 38 11.729 11.800 -3.680 1.00 0.00 C ATOM 532 CE2 TYR A 38 10.142 13.200 -2.498 1.00 0.00 C ATOM 533 CZ TYR A 38 10.993 12.986 -3.590 1.00 0.01 C ATOM 534 OH TYR A 38 11.107 13.946 -4.575 1.00 0.00 O ATOM 0 H TYR A 38 7.901 9.614 -2.050 1.00 0.00 H new ATOM 0 HA TYR A 38 9.883 8.504 -1.877 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.371 10.446 0.432 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.609 9.496 -0.366 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.184 9.913 -2.750 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.370 12.391 -0.658 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.385 11.634 -4.522 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.575 14.116 -2.427 1.00 0.00 H new ATOM 0 HH TYR A 38 10.528 14.706 -4.359 1.00 0.00 H new ATOM 544 N SER A 39 8.330 7.283 0.286 1.00 0.00 N ATOM 545 CA SER A 39 8.152 6.200 1.299 1.00 0.00 C ATOM 546 C SER A 39 8.171 4.841 0.587 1.00 0.00 C ATOM 547 O SER A 39 7.544 3.895 1.013 1.00 0.00 O ATOM 548 CB SER A 39 6.822 6.399 2.031 1.00 0.00 C ATOM 549 OG SER A 39 5.829 6.814 1.100 1.00 0.00 O ATOM 0 H SER A 39 7.494 7.508 -0.254 1.00 0.00 H new ATOM 0 HA SER A 39 8.961 6.234 2.028 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.518 5.471 2.515 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.935 7.146 2.817 1.00 0.00 H new ATOM 0 HG SER A 39 5.024 7.093 1.584 1.00 0.00 H new ATOM 555 N GLU A 40 8.895 4.746 -0.501 1.00 0.00 N ATOM 556 CA GLU A 40 8.963 3.455 -1.247 1.00 0.00 C ATOM 557 C GLU A 40 9.664 2.411 -0.381 1.00 0.00 C ATOM 558 O GLU A 40 9.550 1.225 -0.602 1.00 0.00 O ATOM 559 CB GLU A 40 9.740 3.650 -2.552 1.00 0.00 C ATOM 560 CG GLU A 40 11.128 4.218 -2.249 1.00 0.00 C ATOM 561 CD GLU A 40 11.895 4.410 -3.559 1.00 0.00 C ATOM 562 OE1 GLU A 40 11.419 3.935 -4.576 1.00 0.00 O ATOM 563 OE2 GLU A 40 12.942 5.035 -3.522 1.00 0.00 O ATOM 0 H GLU A 40 9.441 5.508 -0.903 1.00 0.00 H new ATOM 0 HA GLU A 40 7.954 3.117 -1.482 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.833 2.699 -3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.196 4.326 -3.212 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.037 5.169 -1.725 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.674 3.542 -1.591 1.00 0.00 H new ATOM 570 N GLU A 41 10.378 2.835 0.615 1.00 0.00 N ATOM 571 CA GLU A 41 11.052 1.848 1.494 1.00 0.00 C ATOM 572 C GLU A 41 9.970 1.012 2.183 1.00 0.00 C ATOM 573 O GLU A 41 10.148 -0.158 2.459 1.00 0.00 O ATOM 574 CB GLU A 41 11.882 2.591 2.543 1.00 0.00 C ATOM 575 CG GLU A 41 10.962 3.485 3.380 1.00 0.00 C ATOM 576 CD GLU A 41 11.798 4.503 4.162 1.00 0.00 C ATOM 577 OE1 GLU A 41 12.859 4.866 3.683 1.00 0.00 O ATOM 578 OE2 GLU A 41 11.358 4.905 5.227 1.00 0.00 O ATOM 0 H GLU A 41 10.525 3.815 0.859 1.00 0.00 H new ATOM 0 HA GLU A 41 11.712 1.203 0.914 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.398 1.878 3.186 1.00 0.00 H new ATOM 0 HB3 GLU A 41 12.648 3.194 2.056 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.255 4.003 2.732 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.376 2.876 4.069 1.00 0.00 H new ATOM 585 N ASN A 42 8.846 1.618 2.463 1.00 0.00 N ATOM 586 CA ASN A 42 7.736 0.889 3.139 1.00 0.00 C ATOM 587 C ASN A 42 7.257 -0.297 2.286 1.00 0.00 C ATOM 588 O ASN A 42 7.138 -1.399 2.781 1.00 0.00 O ATOM 589 CB ASN A 42 6.574 1.852 3.377 1.00 0.00 C ATOM 590 CG ASN A 42 6.972 2.861 4.457 1.00 0.00 C ATOM 591 OD1 ASN A 42 7.821 2.582 5.282 1.00 0.00 O ATOM 592 ND2 ASN A 42 6.398 4.032 4.484 1.00 0.00 N ATOM 0 H ASN A 42 8.649 2.596 2.250 1.00 0.00 H new ATOM 0 HA ASN A 42 8.101 0.501 4.090 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.321 2.371 2.453 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.686 1.301 3.687 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.661 4.713 5.197 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.686 4.267 3.793 1.00 0.00 H new ATOM 599 N ILE A 43 6.972 -0.102 1.020 1.00 0.00 N ATOM 600 CA ILE A 43 6.499 -1.265 0.210 1.00 0.00 C ATOM 601 C ILE A 43 7.654 -2.247 0.027 1.00 0.00 C ATOM 602 O ILE A 43 7.478 -3.444 0.122 1.00 0.00 O ATOM 603 CB ILE A 43 5.962 -0.803 -1.161 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.311 -1.990 -1.894 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.090 -0.239 -2.030 1.00 0.00 C ATOM 606 CD1 ILE A 43 3.991 -2.401 -1.220 1.00 0.00 C ATOM 0 H ILE A 43 7.044 0.787 0.525 1.00 0.00 H new ATOM 0 HA ILE A 43 5.680 -1.756 0.736 1.00 0.00 H new ATOM 0 HB ILE A 43 5.224 -0.020 -0.988 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.124 -1.721 -2.933 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.997 -2.837 -1.903 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.685 0.079 -2.991 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.545 0.615 -1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.844 -1.009 -2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.554 -3.241 -1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.185 -2.693 -0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.298 -1.560 -1.235 1.00 0.00 H new ATOM 618 N ASP A 44 8.841 -1.761 -0.202 1.00 0.00 N ATOM 619 CA ASP A 44 9.990 -2.690 -0.354 1.00 0.00 C ATOM 620 C ASP A 44 10.171 -3.424 0.975 1.00 0.00 C ATOM 621 O ASP A 44 10.322 -4.628 1.027 1.00 0.00 O ATOM 622 CB ASP A 44 11.251 -1.891 -0.679 1.00 0.00 C ATOM 623 CG ASP A 44 11.139 -1.322 -2.095 1.00 0.00 C ATOM 624 OD1 ASP A 44 10.344 -1.842 -2.860 1.00 0.00 O ATOM 625 OD2 ASP A 44 11.848 -0.375 -2.390 1.00 0.00 O ATOM 0 H ASP A 44 9.063 -0.769 -0.290 1.00 0.00 H new ATOM 0 HA ASP A 44 9.809 -3.400 -1.161 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.379 -1.083 0.041 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.131 -2.530 -0.600 1.00 0.00 H new ATOM 630 N PHE A 45 10.125 -2.693 2.053 1.00 0.00 N ATOM 631 CA PHE A 45 10.256 -3.313 3.396 1.00 0.00 C ATOM 632 C PHE A 45 9.036 -4.196 3.652 1.00 0.00 C ATOM 633 O PHE A 45 9.139 -5.269 4.215 1.00 0.00 O ATOM 634 CB PHE A 45 10.334 -2.216 4.457 1.00 0.00 C ATOM 635 CG PHE A 45 10.292 -2.828 5.834 1.00 0.00 C ATOM 636 CD1 PHE A 45 9.062 -3.026 6.471 1.00 0.00 C ATOM 637 CD2 PHE A 45 11.480 -3.191 6.477 1.00 0.00 C ATOM 638 CE1 PHE A 45 9.020 -3.581 7.754 1.00 0.00 C ATOM 639 CE2 PHE A 45 11.438 -3.751 7.759 1.00 0.00 C ATOM 640 CZ PHE A 45 10.208 -3.944 8.398 1.00 0.00 C ATOM 0 H PHE A 45 10.001 -1.681 2.058 1.00 0.00 H new ATOM 0 HA PHE A 45 11.162 -3.917 3.442 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.253 -1.643 4.333 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.505 -1.520 4.334 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.145 -2.750 5.972 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.429 -3.039 5.985 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.071 -3.729 8.248 1.00 0.00 H new ATOM 0 HE2 PHE A 45 12.355 -4.034 8.255 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.176 -4.373 9.389 1.00 0.00 H new ATOM 650 N TRP A 46 7.876 -3.746 3.249 1.00 0.00 N ATOM 651 CA TRP A 46 6.652 -4.558 3.479 1.00 0.00 C ATOM 652 C TRP A 46 6.808 -5.900 2.772 1.00 0.00 C ATOM 653 O TRP A 46 6.470 -6.937 3.305 1.00 0.00 O ATOM 654 CB TRP A 46 5.424 -3.838 2.918 1.00 0.00 C ATOM 655 CG TRP A 46 4.208 -4.596 3.328 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.674 -4.554 4.563 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.373 -5.499 2.547 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.571 -5.385 4.604 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.338 -5.986 3.381 1.00 0.00 C ATOM 660 CE3 TRP A 46 3.410 -5.941 1.212 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.375 -6.880 2.910 1.00 0.00 C ATOM 662 CZ3 TRP A 46 2.440 -6.838 0.733 1.00 0.00 C ATOM 663 CH2 TRP A 46 1.426 -7.307 1.579 1.00 0.00 C ATOM 0 H TRP A 46 7.727 -2.856 2.773 1.00 0.00 H new ATOM 0 HA TRP A 46 6.518 -4.707 4.550 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.379 -2.816 3.294 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.484 -3.776 1.831 1.00 0.00 H new ATOM 0 HD1 TRP A 46 4.047 -3.966 5.388 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.999 -5.536 5.435 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.188 -5.589 0.551 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.597 -7.239 3.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.476 -7.168 -0.295 1.00 0.00 H new ATOM 0 HH2 TRP A 46 0.685 -7.997 1.204 1.00 0.00 H new ATOM 674 N ILE A 47 7.324 -5.892 1.573 1.00 0.00 N ATOM 675 CA ILE A 47 7.506 -7.173 0.841 1.00 0.00 C ATOM 676 C ILE A 47 8.504 -8.033 1.615 1.00 0.00 C ATOM 677 O ILE A 47 8.341 -9.231 1.737 1.00 0.00 O ATOM 678 CB ILE A 47 8.045 -6.897 -0.566 1.00 0.00 C ATOM 679 CG1 ILE A 47 6.969 -6.198 -1.402 1.00 0.00 C ATOM 680 CG2 ILE A 47 8.421 -8.222 -1.238 1.00 0.00 C ATOM 681 CD1 ILE A 47 7.587 -5.693 -2.708 1.00 0.00 C ATOM 0 H ILE A 47 7.626 -5.056 1.072 1.00 0.00 H new ATOM 0 HA ILE A 47 6.551 -7.691 0.754 1.00 0.00 H new ATOM 0 HB ILE A 47 8.925 -6.257 -0.494 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.154 -6.889 -1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.543 -5.365 -0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.805 -8.026 -2.239 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.187 -8.725 -0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.539 -8.859 -1.306 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.822 -5.195 -3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.387 -4.988 -2.483 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.992 -6.535 -3.268 1.00 0.00 H new ATOM 693 N SER A 48 9.534 -7.431 2.145 1.00 0.00 N ATOM 694 CA SER A 48 10.536 -8.220 2.913 1.00 0.00 C ATOM 695 C SER A 48 9.879 -8.757 4.185 1.00 0.00 C ATOM 696 O SER A 48 10.020 -9.917 4.523 1.00 0.00 O ATOM 697 CB SER A 48 11.709 -7.316 3.295 1.00 0.00 C ATOM 698 OG SER A 48 11.279 -6.379 4.274 1.00 0.00 O ATOM 0 H SER A 48 9.724 -6.431 2.079 1.00 0.00 H new ATOM 0 HA SER A 48 10.897 -9.049 2.304 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.533 -7.914 3.684 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.083 -6.794 2.414 1.00 0.00 H new ATOM 0 HG SER A 48 10.409 -6.010 4.014 1.00 0.00 H new ATOM 704 N CYS A 49 9.156 -7.929 4.889 1.00 0.00 N ATOM 705 CA CYS A 49 8.486 -8.407 6.129 1.00 0.00 C ATOM 706 C CYS A 49 7.354 -9.366 5.750 1.00 0.00 C ATOM 707 O CYS A 49 7.049 -10.296 6.468 1.00 0.01 O ATOM 708 CB CYS A 49 7.936 -7.209 6.926 1.00 0.00 C ATOM 709 SG CYS A 49 6.303 -6.724 6.304 1.00 0.01 S ATOM 0 H CYS A 49 9.001 -6.947 4.660 1.00 0.00 H new ATOM 0 HA CYS A 49 9.205 -8.933 6.756 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.866 -7.469 7.982 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.625 -6.368 6.850 1.00 0.00 H new ATOM 0 HG CYS A 49 6.270 -6.870 5.013 1.00 0.01 H new ATOM 715 N GLU A 50 6.732 -9.145 4.620 1.00 0.00 N ATOM 716 CA GLU A 50 5.621 -10.045 4.197 1.00 0.00 C ATOM 717 C GLU A 50 6.175 -11.466 4.072 1.00 0.01 C ATOM 718 O GLU A 50 5.601 -12.412 4.571 1.00 0.00 O ATOM 719 CB GLU A 50 5.084 -9.580 2.839 1.00 0.01 C ATOM 720 CG GLU A 50 3.903 -10.458 2.413 1.00 0.00 C ATOM 721 CD GLU A 50 3.423 -10.025 1.026 1.00 0.01 C ATOM 722 OE1 GLU A 50 3.945 -9.048 0.519 1.00 0.01 O ATOM 723 OE2 GLU A 50 2.543 -10.680 0.495 1.00 0.00 O ATOM 0 H GLU A 50 6.945 -8.384 3.976 1.00 0.00 H new ATOM 0 HA GLU A 50 4.813 -10.022 4.928 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.769 -8.538 2.901 1.00 0.01 H new ATOM 0 HB3 GLU A 50 5.874 -9.631 2.090 1.00 0.01 H new ATOM 0 HG2 GLU A 50 4.202 -11.506 2.396 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.091 -10.370 3.135 1.00 0.00 H new ATOM 730 N GLU A 51 7.299 -11.619 3.424 1.00 0.01 N ATOM 731 CA GLU A 51 7.900 -12.976 3.291 1.00 0.00 C ATOM 732 C GLU A 51 8.216 -13.506 4.686 1.00 0.01 C ATOM 733 O GLU A 51 8.026 -14.667 4.987 1.00 0.00 O ATOM 734 CB GLU A 51 9.200 -12.883 2.490 1.00 0.00 C ATOM 735 CG GLU A 51 8.881 -12.560 1.033 1.00 0.00 C ATOM 736 CD GLU A 51 10.183 -12.462 0.235 1.00 0.00 C ATOM 737 OE1 GLU A 51 11.236 -12.456 0.851 1.00 0.01 O ATOM 738 OE2 GLU A 51 10.105 -12.389 -0.981 1.00 0.00 O ATOM 0 H GLU A 51 7.825 -10.865 2.983 1.00 0.01 H new ATOM 0 HA GLU A 51 7.204 -13.641 2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.844 -12.111 2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.746 -13.824 2.553 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.240 -13.333 0.610 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.332 -11.621 0.970 1.00 0.00 H new ATOM 745 N TYR A 52 8.701 -12.645 5.536 1.00 0.00 N ATOM 746 CA TYR A 52 9.047 -13.058 6.924 1.00 0.01 C ATOM 747 C TYR A 52 7.796 -13.586 7.627 1.00 0.01 C ATOM 748 O TYR A 52 7.834 -14.580 8.325 1.00 0.01 O ATOM 749 CB TYR A 52 9.576 -11.840 7.687 1.00 0.00 C ATOM 750 CG TYR A 52 10.163 -12.278 9.009 1.00 0.01 C ATOM 751 CD1 TYR A 52 9.320 -12.576 10.084 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.553 -12.387 9.159 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.862 -12.979 11.308 1.00 0.01 C ATOM 754 CE2 TYR A 52 12.094 -12.789 10.384 1.00 0.00 C ATOM 755 CZ TYR A 52 11.250 -13.086 11.458 1.00 0.01 C ATOM 756 OH TYR A 52 11.787 -13.483 12.668 1.00 0.01 O ATOM 0 H TYR A 52 8.874 -11.662 5.326 1.00 0.00 H new ATOM 0 HA TYR A 52 9.805 -13.840 6.896 1.00 0.01 H new ATOM 0 HB2 TYR A 52 10.334 -11.329 7.094 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.769 -11.127 7.856 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.249 -12.495 9.969 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.205 -12.161 8.329 1.00 0.01 H new ATOM 0 HE1 TYR A 52 9.210 -13.208 12.138 1.00 0.01 H new ATOM 0 HE2 TYR A 52 13.165 -12.870 10.501 1.00 0.00 H new ATOM 0 HH TYR A 52 11.063 -13.664 13.304 1.00 0.01 H new ATOM 766 N LYS A 53 6.692 -12.914 7.462 1.00 0.01 N ATOM 767 CA LYS A 53 5.435 -13.351 8.130 1.00 0.01 C ATOM 768 C LYS A 53 4.910 -14.642 7.494 1.00 0.01 C ATOM 769 O LYS A 53 4.086 -15.329 8.067 1.00 0.01 O ATOM 770 CB LYS A 53 4.385 -12.247 8.011 1.00 0.01 C ATOM 771 CG LYS A 53 4.849 -11.037 8.823 1.00 0.00 C ATOM 772 CD LYS A 53 3.764 -9.951 8.823 1.00 0.00 C ATOM 773 CE LYS A 53 2.521 -10.433 9.594 1.00 0.01 C ATOM 774 NZ LYS A 53 1.869 -9.269 10.259 1.00 0.00 N ATOM 0 H LYS A 53 6.606 -12.075 6.889 1.00 0.01 H new ATOM 0 HA LYS A 53 5.642 -13.545 9.182 1.00 0.01 H new ATOM 0 HB2 LYS A 53 4.246 -11.970 6.966 1.00 0.01 H new ATOM 0 HB3 LYS A 53 3.422 -12.601 8.378 1.00 0.01 H new ATOM 0 HG2 LYS A 53 5.071 -11.340 9.846 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.772 -10.639 8.401 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.152 -9.040 9.279 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.490 -9.702 7.798 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.821 -10.915 8.912 1.00 0.01 H new ATOM 0 HE3 LYS A 53 2.806 -11.178 10.337 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 0.882 -9.507 10.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.380 -9.039 11.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.890 -8.448 9.621 1.00 0.00 H new ATOM 788 N LYS A 54 5.369 -14.988 6.319 1.00 0.00 N ATOM 789 CA LYS A 54 4.874 -16.244 5.676 1.00 0.01 C ATOM 790 C LYS A 54 5.739 -17.420 6.123 1.00 0.01 C ATOM 791 O LYS A 54 5.281 -18.542 6.195 1.00 0.01 O ATOM 792 CB LYS A 54 4.935 -16.111 4.154 1.00 0.01 C ATOM 793 CG LYS A 54 3.856 -15.134 3.686 1.00 0.01 C ATOM 794 CD LYS A 54 3.914 -14.998 2.163 1.00 0.00 C ATOM 795 CE LYS A 54 2.784 -14.082 1.686 1.00 0.01 C ATOM 796 NZ LYS A 54 1.509 -14.854 1.647 1.00 0.01 N ATOM 0 H LYS A 54 6.058 -14.462 5.781 1.00 0.00 H new ATOM 0 HA LYS A 54 3.841 -16.417 5.977 1.00 0.01 H new ATOM 0 HB2 LYS A 54 5.919 -15.757 3.848 1.00 0.01 H new ATOM 0 HB3 LYS A 54 4.787 -17.085 3.687 1.00 0.01 H new ATOM 0 HG2 LYS A 54 2.872 -15.489 3.993 1.00 0.01 H new ATOM 0 HG3 LYS A 54 4.004 -14.161 4.154 1.00 0.01 H new ATOM 0 HD2 LYS A 54 4.879 -14.590 1.861 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.822 -15.979 1.696 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.685 -13.228 2.356 1.00 0.01 H new ATOM 0 HE3 LYS A 54 3.014 -13.686 0.697 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 0.752 -14.255 1.259 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 1.630 -15.693 1.045 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 1.255 -15.153 2.610 1.00 0.01 H new ATOM 810 N ILE A 55 6.978 -17.179 6.449 1.00 0.01 N ATOM 811 CA ILE A 55 7.841 -18.300 6.918 1.00 0.01 C ATOM 812 C ILE A 55 7.378 -18.719 8.313 1.00 0.00 C ATOM 813 O ILE A 55 7.374 -17.927 9.232 1.00 0.01 O ATOM 814 CB ILE A 55 9.302 -17.850 6.972 1.00 0.01 C ATOM 815 CG1 ILE A 55 9.801 -17.586 5.545 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.148 -18.951 7.619 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.203 -16.970 5.584 1.00 0.01 C ATOM 0 H ILE A 55 7.428 -16.264 6.412 1.00 0.01 H new ATOM 0 HA ILE A 55 7.761 -19.141 6.229 1.00 0.01 H new ATOM 0 HB ILE A 55 9.386 -16.937 7.561 1.00 0.01 H new ATOM 0 HG12 ILE A 55 9.820 -18.518 4.980 1.00 0.01 H new ATOM 0 HG13 ILE A 55 9.114 -16.915 5.030 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.190 -18.633 7.659 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.787 -19.140 8.630 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.070 -19.864 7.029 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.548 -16.786 4.567 1.00 0.01 H new ATOM 0 HD12 ILE A 55 11.172 -16.028 6.132 1.00 0.01 H new ATOM 0 HD13 ILE A 55 11.888 -17.656 6.081 1.00 0.01 H new ATOM 829 N LYS A 56 6.985 -19.954 8.481 1.00 0.01 N ATOM 830 CA LYS A 56 6.513 -20.421 9.824 1.00 0.01 C ATOM 831 C LYS A 56 7.639 -21.163 10.542 1.00 0.01 C ATOM 832 O LYS A 56 7.477 -21.627 11.653 1.00 0.01 O ATOM 833 CB LYS A 56 5.327 -21.363 9.640 1.00 0.01 C ATOM 834 CG LYS A 56 4.188 -20.610 8.955 1.00 0.01 C ATOM 835 CD LYS A 56 2.998 -21.549 8.768 1.00 0.00 C ATOM 836 CE LYS A 56 1.859 -20.798 8.079 1.00 0.00 C ATOM 837 NZ LYS A 56 1.447 -19.639 8.919 1.00 0.00 N ATOM 0 H LYS A 56 6.969 -20.662 7.747 1.00 0.01 H new ATOM 0 HA LYS A 56 6.214 -19.559 10.420 1.00 0.01 H new ATOM 0 HB2 LYS A 56 5.621 -22.225 9.041 1.00 0.01 H new ATOM 0 HB3 LYS A 56 4.997 -21.745 10.606 1.00 0.01 H new ATOM 0 HG2 LYS A 56 3.895 -19.749 9.555 1.00 0.01 H new ATOM 0 HG3 LYS A 56 4.519 -20.228 7.989 1.00 0.01 H new ATOM 0 HD2 LYS A 56 3.292 -22.412 8.171 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.665 -21.929 9.734 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.179 -20.452 7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.012 -21.466 7.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.490 -19.337 8.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.451 -19.917 9.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.112 -18.852 8.775 1.00 0.00 H new ATOM 851 N SER A 57 8.778 -21.280 9.915 1.00 0.00 N ATOM 852 CA SER A 57 9.925 -21.991 10.554 1.00 0.01 C ATOM 853 C SER A 57 10.842 -20.954 11.237 1.00 0.01 C ATOM 854 O SER A 57 11.482 -20.183 10.555 1.00 0.00 O ATOM 855 CB SER A 57 10.729 -22.706 9.467 1.00 0.01 C ATOM 856 OG SER A 57 9.922 -23.714 8.871 1.00 0.01 O ATOM 0 H SER A 57 8.965 -20.912 8.982 1.00 0.00 H new ATOM 0 HA SER A 57 9.555 -22.708 11.287 1.00 0.01 H new ATOM 0 HB2 SER A 57 11.056 -21.992 8.711 1.00 0.01 H new ATOM 0 HB3 SER A 57 11.627 -23.150 9.896 1.00 0.01 H new ATOM 0 HG SER A 57 10.434 -24.173 8.173 1.00 0.01 H new ATOM 862 N PRO A 58 10.927 -20.910 12.559 1.00 0.00 N ATOM 863 CA PRO A 58 11.813 -19.905 13.211 1.00 0.01 C ATOM 864 C PRO A 58 13.291 -20.212 12.949 1.00 0.00 C ATOM 865 O PRO A 58 14.173 -19.497 13.381 1.00 0.00 O ATOM 866 CB PRO A 58 11.451 -20.045 14.703 1.00 0.01 C ATOM 867 CG PRO A 58 10.575 -21.303 14.874 1.00 0.01 C ATOM 868 CD PRO A 58 10.181 -21.819 13.477 1.00 0.01 C ATOM 0 HA PRO A 58 11.671 -18.892 12.834 1.00 0.01 H new ATOM 0 HB2 PRO A 58 12.355 -20.127 15.307 1.00 0.01 H new ATOM 0 HB3 PRO A 58 10.916 -19.160 15.048 1.00 0.01 H new ATOM 0 HG2 PRO A 58 11.120 -22.072 15.422 1.00 0.01 H new ATOM 0 HG3 PRO A 58 9.684 -21.068 15.456 1.00 0.01 H new ATOM 0 HD2 PRO A 58 10.470 -22.861 13.336 1.00 0.01 H new ATOM 0 HD3 PRO A 58 9.105 -21.762 13.315 1.00 0.01 H new ATOM 876 N SER A 59 13.561 -21.272 12.239 1.00 0.01 N ATOM 877 CA SER A 59 14.974 -21.636 11.938 1.00 0.01 C ATOM 878 C SER A 59 15.437 -20.925 10.664 1.00 0.01 C ATOM 879 O SER A 59 16.602 -20.614 10.507 1.00 0.01 O ATOM 880 CB SER A 59 15.072 -23.147 11.735 1.00 0.01 C ATOM 881 OG SER A 59 14.578 -23.477 10.443 1.00 0.01 O ATOM 0 H SER A 59 12.860 -21.905 11.853 1.00 0.01 H new ATOM 0 HA SER A 59 15.608 -21.330 12.770 1.00 0.01 H new ATOM 0 HB2 SER A 59 16.107 -23.473 11.836 1.00 0.01 H new ATOM 0 HB3 SER A 59 14.497 -23.667 12.501 1.00 0.01 H new ATOM 0 HG SER A 59 14.640 -24.445 10.307 1.00 0.01 H new ATOM 887 N LYS A 60 14.541 -20.666 9.745 1.00 0.00 N ATOM 888 CA LYS A 60 14.946 -19.980 8.479 1.00 0.00 C ATOM 889 C LYS A 60 14.831 -18.461 8.643 1.00 0.01 C ATOM 890 O LYS A 60 15.320 -17.706 7.826 1.00 0.01 O ATOM 891 CB LYS A 60 14.030 -20.436 7.341 1.00 0.01 C ATOM 892 CG LYS A 60 14.138 -21.957 7.148 1.00 0.01 C ATOM 893 CD LYS A 60 15.515 -22.324 6.561 1.00 0.01 C ATOM 894 CE LYS A 60 15.456 -23.724 5.937 1.00 0.01 C ATOM 895 NZ LYS A 60 16.778 -24.051 5.325 1.00 0.01 N ATOM 0 H LYS A 60 13.550 -20.899 9.815 1.00 0.00 H new ATOM 0 HA LYS A 60 15.980 -20.237 8.249 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.998 -20.163 7.563 1.00 0.01 H new ATOM 0 HB3 LYS A 60 14.303 -19.925 6.418 1.00 0.01 H new ATOM 0 HG2 LYS A 60 13.995 -22.463 8.103 1.00 0.01 H new ATOM 0 HG3 LYS A 60 13.347 -22.303 6.483 1.00 0.01 H new ATOM 0 HD2 LYS A 60 15.807 -21.592 5.808 1.00 0.01 H new ATOM 0 HD3 LYS A 60 16.273 -22.296 7.343 1.00 0.01 H new ATOM 0 HE2 LYS A 60 15.202 -24.463 6.697 1.00 0.01 H new ATOM 0 HE3 LYS A 60 14.673 -23.764 5.180 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 16.739 -25.000 4.902 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 17.002 -23.352 4.588 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 17.515 -24.029 6.058 1.00 0.01 H new ATOM 909 N LEU A 61 14.199 -18.002 9.686 1.00 0.01 N ATOM 910 CA LEU A 61 14.079 -16.527 9.882 1.00 0.01 C ATOM 911 C LEU A 61 15.470 -15.931 10.127 1.00 0.01 C ATOM 912 O LEU A 61 15.796 -14.867 9.643 1.00 0.01 O ATOM 913 CB LEU A 61 13.190 -16.231 11.096 1.00 0.01 C ATOM 914 CG LEU A 61 11.786 -16.818 10.889 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.915 -16.510 12.120 1.00 0.01 C ATOM 916 CD2 LEU A 61 11.134 -16.215 9.630 1.00 0.01 C ATOM 0 H LEU A 61 13.763 -18.577 10.407 1.00 0.01 H new ATOM 0 HA LEU A 61 13.635 -16.085 8.990 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.639 -16.654 11.995 1.00 0.01 H new ATOM 0 HB3 LEU A 61 13.121 -15.154 11.250 1.00 0.01 H new ATOM 0 HG LEU A 61 11.869 -17.897 10.759 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.918 -16.926 11.974 1.00 0.01 H new ATOM 0 HD12 LEU A 61 11.368 -16.955 13.006 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.841 -15.431 12.253 1.00 0.01 H new ATOM 0 HD21 LEU A 61 10.139 -16.640 9.496 1.00 0.01 H new ATOM 0 HD22 LEU A 61 11.054 -15.134 9.744 1.00 0.01 H new ATOM 0 HD23 LEU A 61 11.747 -16.443 8.758 1.00 0.01 H new ATOM 928 N SER A 62 16.283 -16.617 10.881 1.00 0.00 N ATOM 929 CA SER A 62 17.652 -16.109 11.186 1.00 0.01 C ATOM 930 C SER A 62 18.355 -15.608 9.907 1.00 0.01 C ATOM 931 O SER A 62 18.663 -14.438 9.801 1.00 0.01 O ATOM 932 CB SER A 62 18.467 -17.224 11.864 1.00 0.01 C ATOM 933 OG SER A 62 18.448 -17.021 13.271 1.00 0.01 O ATOM 0 H SER A 62 16.056 -17.517 11.304 1.00 0.00 H new ATOM 0 HA SER A 62 17.575 -15.260 11.865 1.00 0.01 H new ATOM 0 HB2 SER A 62 18.047 -18.200 11.619 1.00 0.01 H new ATOM 0 HB3 SER A 62 19.493 -17.217 11.496 1.00 0.01 H new ATOM 0 HG SER A 62 18.964 -17.729 13.711 1.00 0.01 H new ATOM 939 N PRO A 63 18.620 -16.467 8.943 1.00 0.00 N ATOM 940 CA PRO A 63 19.301 -16.038 7.693 1.00 0.00 C ATOM 941 C PRO A 63 18.894 -14.638 7.205 1.00 0.01 C ATOM 942 O PRO A 63 19.702 -13.729 7.181 1.00 0.00 O ATOM 943 CB PRO A 63 18.867 -17.132 6.704 1.00 0.01 C ATOM 944 CG PRO A 63 18.353 -18.336 7.524 1.00 0.01 C ATOM 945 CD PRO A 63 18.275 -17.916 9.008 1.00 0.01 C ATOM 0 HA PRO A 63 20.379 -15.942 7.822 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.085 -16.760 6.042 1.00 0.01 H new ATOM 0 HB3 PRO A 63 19.704 -17.430 6.073 1.00 0.01 H new ATOM 0 HG2 PRO A 63 17.372 -18.648 7.166 1.00 0.01 H new ATOM 0 HG3 PRO A 63 19.021 -19.189 7.406 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.282 -18.080 9.426 1.00 0.01 H new ATOM 0 HD3 PRO A 63 18.977 -18.475 9.627 1.00 0.01 H new ATOM 953 N LYS A 64 17.669 -14.454 6.785 1.00 0.01 N ATOM 954 CA LYS A 64 17.269 -13.106 6.276 1.00 0.01 C ATOM 955 C LYS A 64 16.978 -12.142 7.431 1.00 0.00 C ATOM 956 O LYS A 64 16.940 -10.943 7.240 1.00 0.00 O ATOM 957 CB LYS A 64 16.040 -13.216 5.365 1.00 0.00 C ATOM 958 CG LYS A 64 14.791 -13.563 6.173 1.00 0.01 C ATOM 959 CD LYS A 64 13.630 -13.821 5.204 1.00 0.01 C ATOM 960 CE LYS A 64 12.301 -13.700 5.945 1.00 0.01 C ATOM 961 NZ LYS A 64 12.425 -14.337 7.286 1.00 0.00 N ATOM 0 H LYS A 64 16.938 -15.165 6.771 1.00 0.01 H new ATOM 0 HA LYS A 64 18.104 -12.709 5.699 1.00 0.01 H new ATOM 0 HB2 LYS A 64 15.887 -12.274 4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.212 -13.980 4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.972 -14.445 6.788 1.00 0.01 H new ATOM 0 HG3 LYS A 64 14.542 -12.747 6.851 1.00 0.01 H new ATOM 0 HD2 LYS A 64 13.665 -13.106 4.382 1.00 0.01 H new ATOM 0 HD3 LYS A 64 13.724 -14.815 4.766 1.00 0.01 H new ATOM 0 HE2 LYS A 64 12.025 -12.651 6.052 1.00 0.01 H new ATOM 0 HE3 LYS A 64 11.508 -14.181 5.373 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 11.514 -14.760 7.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.154 -15.078 7.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.694 -13.619 7.988 1.00 0.00 H new ATOM 975 N ALA A 65 16.780 -12.629 8.628 1.00 0.00 N ATOM 976 CA ALA A 65 16.506 -11.688 9.749 1.00 0.01 C ATOM 977 C ALA A 65 17.694 -10.741 9.896 1.00 0.01 C ATOM 978 O ALA A 65 17.544 -9.536 9.935 1.00 0.01 O ATOM 979 CB ALA A 65 16.334 -12.466 11.054 1.00 0.01 C ATOM 0 H ALA A 65 16.796 -13.619 8.874 1.00 0.00 H new ATOM 0 HA ALA A 65 15.594 -11.130 9.538 1.00 0.01 H new ATOM 0 HB1 ALA A 65 16.134 -11.770 11.869 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.499 -13.160 10.956 1.00 0.01 H new ATOM 0 HB3 ALA A 65 17.246 -13.023 11.268 1.00 0.01 H new ATOM 985 N LYS A 66 18.878 -11.283 9.975 1.00 0.01 N ATOM 986 CA LYS A 66 20.083 -10.425 10.117 1.00 0.00 C ATOM 987 C LYS A 66 20.269 -9.572 8.858 1.00 0.01 C ATOM 988 O LYS A 66 20.578 -8.400 8.932 1.00 0.01 O ATOM 989 CB LYS A 66 21.308 -11.320 10.316 1.00 0.01 C ATOM 990 CG LYS A 66 21.235 -11.982 11.695 1.00 0.01 C ATOM 991 CD LYS A 66 22.458 -12.879 11.900 1.00 0.01 C ATOM 992 CE LYS A 66 22.382 -13.532 13.281 1.00 0.00 C ATOM 993 NZ LYS A 66 21.212 -14.454 13.332 1.00 0.00 N ATOM 0 H LYS A 66 19.061 -12.286 9.947 1.00 0.01 H new ATOM 0 HA LYS A 66 19.962 -9.765 10.976 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.347 -12.081 9.537 1.00 0.01 H new ATOM 0 HB3 LYS A 66 22.221 -10.730 10.231 1.00 0.01 H new ATOM 0 HG2 LYS A 66 21.196 -11.220 12.474 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.322 -12.571 11.779 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.496 -13.645 11.125 1.00 0.01 H new ATOM 0 HD3 LYS A 66 23.372 -12.292 11.813 1.00 0.01 H new ATOM 0 HE2 LYS A 66 23.301 -14.082 13.486 1.00 0.00 H new ATOM 0 HE3 LYS A 66 22.289 -12.767 14.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.341 -15.136 14.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 20.344 -13.905 13.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 21.134 -14.966 12.430 1.00 0.00 H new ATOM 1007 N LYS A 67 20.091 -10.152 7.699 1.00 0.00 N ATOM 1008 CA LYS A 67 20.273 -9.367 6.442 1.00 0.00 C ATOM 1009 C LYS A 67 19.209 -8.271 6.364 1.00 0.01 C ATOM 1010 O LYS A 67 19.506 -7.125 6.087 1.00 0.01 O ATOM 1011 CB LYS A 67 20.138 -10.292 5.228 1.00 0.00 C ATOM 1012 CG LYS A 67 21.151 -11.441 5.325 1.00 0.01 C ATOM 1013 CD LYS A 67 22.579 -10.912 5.122 1.00 0.00 C ATOM 1014 CE LYS A 67 23.511 -12.074 4.774 1.00 0.00 C ATOM 1015 NZ LYS A 67 23.463 -13.092 5.863 1.00 0.01 N ATOM 0 H LYS A 67 19.829 -11.129 7.569 1.00 0.00 H new ATOM 0 HA LYS A 67 21.265 -8.915 6.444 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.126 -10.693 5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 67 20.304 -9.727 4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.070 -11.925 6.298 1.00 0.01 H new ATOM 0 HG3 LYS A 67 20.926 -12.198 4.573 1.00 0.01 H new ATOM 0 HD2 LYS A 67 22.593 -10.170 4.324 1.00 0.00 H new ATOM 0 HD3 LYS A 67 22.925 -10.413 6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.211 -12.524 3.827 1.00 0.00 H new ATOM 0 HE3 LYS A 67 24.531 -11.711 4.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 24.284 -13.725 5.783 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 23.484 -12.614 6.786 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 22.588 -13.648 5.780 1.00 0.01 H new ATOM 1029 N ILE A 68 17.969 -8.608 6.605 1.00 0.01 N ATOM 1030 CA ILE A 68 16.900 -7.572 6.542 1.00 0.00 C ATOM 1031 C ILE A 68 17.194 -6.489 7.584 1.00 0.01 C ATOM 1032 O ILE A 68 17.200 -5.310 7.288 1.00 0.00 O ATOM 1033 CB ILE A 68 15.539 -8.217 6.831 1.00 0.01 C ATOM 1034 CG1 ILE A 68 15.151 -9.127 5.660 1.00 0.00 C ATOM 1035 CG2 ILE A 68 14.476 -7.125 6.996 1.00 0.00 C ATOM 1036 CD1 ILE A 68 13.930 -9.971 6.039 1.00 0.00 C ATOM 0 H ILE A 68 17.653 -9.549 6.841 1.00 0.01 H new ATOM 0 HA ILE A 68 16.876 -7.126 5.548 1.00 0.00 H new ATOM 0 HB ILE A 68 15.603 -8.803 7.748 1.00 0.01 H new ATOM 0 HG12 ILE A 68 14.929 -8.525 4.779 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.987 -9.777 5.400 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.510 -7.586 7.201 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.750 -6.473 7.825 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.411 -6.539 6.079 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.659 -10.615 5.203 1.00 0.00 H new ATOM 0 HD12 ILE A 68 14.167 -10.585 6.908 1.00 0.00 H new ATOM 0 HD13 ILE A 68 13.093 -9.314 6.276 1.00 0.00 H new ATOM 1048 N TYR A 69 17.451 -6.888 8.799 1.00 0.00 N ATOM 1049 CA TYR A 69 17.760 -5.898 9.867 1.00 0.01 C ATOM 1050 C TYR A 69 19.012 -5.115 9.481 1.00 0.00 C ATOM 1051 O TYR A 69 19.041 -3.901 9.528 1.00 0.01 O ATOM 1052 CB TYR A 69 18.013 -6.637 11.181 1.00 0.01 C ATOM 1053 CG TYR A 69 18.335 -5.641 12.266 1.00 0.01 C ATOM 1054 CD1 TYR A 69 19.646 -5.175 12.420 1.00 0.01 C ATOM 1055 CD2 TYR A 69 17.326 -5.190 13.123 1.00 0.00 C ATOM 1056 CE1 TYR A 69 19.948 -4.257 13.433 1.00 0.01 C ATOM 1057 CE2 TYR A 69 17.627 -4.273 14.136 1.00 0.01 C ATOM 1058 CZ TYR A 69 18.936 -3.807 14.291 1.00 0.01 C ATOM 1059 OH TYR A 69 19.229 -2.902 15.290 1.00 0.01 O ATOM 0 H TYR A 69 17.460 -7.863 9.099 1.00 0.00 H new ATOM 0 HA TYR A 69 16.921 -5.213 9.986 1.00 0.01 H new ATOM 0 HB2 TYR A 69 17.134 -7.220 11.457 1.00 0.01 H new ATOM 0 HB3 TYR A 69 18.837 -7.340 11.062 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.424 -5.524 11.757 1.00 0.01 H new ATOM 0 HD2 TYR A 69 16.315 -5.549 13.003 1.00 0.00 H new ATOM 0 HE1 TYR A 69 20.959 -3.896 13.553 1.00 0.01 H new ATOM 0 HE2 TYR A 69 16.848 -3.925 14.798 1.00 0.01 H new ATOM 0 HH TYR A 69 18.414 -2.694 15.793 1.00 0.01 H new ATOM 1069 N ASN A 70 20.052 -5.812 9.113 1.00 0.01 N ATOM 1070 CA ASN A 70 21.317 -5.129 8.735 1.00 0.00 C ATOM 1071 C ASN A 70 21.067 -4.223 7.526 1.00 0.00 C ATOM 1072 O ASN A 70 21.593 -3.136 7.436 1.00 0.01 O ATOM 1073 CB ASN A 70 22.379 -6.177 8.380 1.00 0.00 C ATOM 1074 CG ASN A 70 22.808 -6.921 9.647 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.789 -8.135 9.691 1.00 0.01 O ATOM 1076 ND2 ASN A 70 23.198 -6.240 10.688 1.00 0.01 N ATOM 0 H ASN A 70 20.078 -6.830 9.058 1.00 0.01 H new ATOM 0 HA ASN A 70 21.669 -4.527 9.573 1.00 0.00 H new ATOM 0 HB2 ASN A 70 21.980 -6.881 7.650 1.00 0.00 H new ATOM 0 HB3 ASN A 70 23.241 -5.695 7.920 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.486 -6.726 11.537 1.00 0.01 H new ATOM 0 HD22 ASN A 70 23.215 -5.221 10.654 1.00 0.01 H new ATOM 1083 N GLU A 71 20.287 -4.668 6.584 1.00 0.00 N ATOM 1084 CA GLU A 71 20.029 -3.829 5.377 1.00 0.00 C ATOM 1085 C GLU A 71 18.939 -2.778 5.651 1.00 0.00 C ATOM 1086 O GLU A 71 19.125 -1.606 5.391 1.00 0.00 O ATOM 1087 CB GLU A 71 19.585 -4.739 4.223 1.00 0.00 C ATOM 1088 CG GLU A 71 19.418 -3.924 2.933 1.00 0.00 C ATOM 1089 CD GLU A 71 20.767 -3.328 2.524 1.00 0.00 C ATOM 1090 OE1 GLU A 71 21.779 -3.839 2.975 1.00 0.00 O ATOM 1091 OE2 GLU A 71 20.765 -2.370 1.770 1.00 0.00 O ATOM 0 H GLU A 71 19.817 -5.573 6.594 1.00 0.00 H new ATOM 0 HA GLU A 71 20.947 -3.304 5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 71 20.321 -5.528 4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 71 18.644 -5.226 4.477 1.00 0.00 H new ATOM 0 HG2 GLU A 71 19.034 -4.560 2.136 1.00 0.00 H new ATOM 0 HG3 GLU A 71 18.689 -3.128 3.085 1.00 0.00 H new ATOM 1098 N PHE A 72 17.785 -3.184 6.118 1.00 0.00 N ATOM 1099 CA PHE A 72 16.672 -2.201 6.340 1.00 0.00 C ATOM 1100 C PHE A 72 16.722 -1.509 7.712 1.00 0.00 C ATOM 1101 O PHE A 72 16.337 -0.363 7.829 1.00 0.00 O ATOM 1102 CB PHE A 72 15.328 -2.928 6.207 1.00 0.00 C ATOM 1103 CG PHE A 72 15.053 -3.227 4.753 1.00 0.00 C ATOM 1104 CD1 PHE A 72 15.499 -4.425 4.185 1.00 0.00 C ATOM 1105 CD2 PHE A 72 14.357 -2.300 3.971 1.00 0.00 C ATOM 1106 CE1 PHE A 72 15.247 -4.698 2.836 1.00 0.00 C ATOM 1107 CE2 PHE A 72 14.106 -2.571 2.621 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.551 -3.771 2.053 1.00 0.00 C ATOM 0 H PHE A 72 17.562 -4.151 6.356 1.00 0.00 H new ATOM 0 HA PHE A 72 16.789 -1.423 5.586 1.00 0.00 H new ATOM 0 HB2 PHE A 72 15.346 -3.854 6.782 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.528 -2.313 6.619 1.00 0.00 H new ATOM 0 HD1 PHE A 72 16.038 -5.140 4.788 1.00 0.00 H new ATOM 0 HD2 PHE A 72 14.013 -1.375 4.409 1.00 0.00 H new ATOM 0 HE1 PHE A 72 15.590 -5.624 2.399 1.00 0.00 H new ATOM 0 HE2 PHE A 72 13.569 -1.854 2.017 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.357 -3.981 1.011 1.00 0.00 H new ATOM 1118 N ILE A 73 17.123 -2.183 8.760 1.00 0.00 N ATOM 1119 CA ILE A 73 17.098 -1.527 10.113 1.00 0.00 C ATOM 1120 C ILE A 73 18.448 -0.904 10.483 1.00 0.00 C ATOM 1121 O ILE A 73 18.537 -0.156 11.435 1.00 0.01 O ATOM 1122 CB ILE A 73 16.720 -2.569 11.178 1.00 0.00 C ATOM 1123 CG1 ILE A 73 15.381 -3.251 10.805 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.603 -1.888 12.552 1.00 0.00 C ATOM 1125 CD1 ILE A 73 14.172 -2.374 11.186 1.00 0.00 C ATOM 0 H ILE A 73 17.463 -3.145 8.745 1.00 0.00 H new ATOM 0 HA ILE A 73 16.360 -0.726 10.074 1.00 0.00 H new ATOM 0 HB ILE A 73 17.498 -3.331 11.223 1.00 0.00 H new ATOM 0 HG12 ILE A 73 15.361 -3.454 9.734 1.00 0.00 H new ATOM 0 HG13 ILE A 73 15.308 -4.213 11.313 1.00 0.00 H new ATOM 0 HG21 ILE A 73 16.335 -2.630 13.304 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.558 -1.433 12.815 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.833 -1.118 12.512 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.250 -2.885 10.909 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.178 -2.193 12.261 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.232 -1.422 10.658 1.00 0.00 H new ATOM 1137 N SER A 74 19.498 -1.176 9.765 1.00 0.01 N ATOM 1138 CA SER A 74 20.793 -0.541 10.147 1.00 0.00 C ATOM 1139 C SER A 74 20.650 0.980 10.084 1.00 0.00 C ATOM 1140 O SER A 74 20.194 1.526 9.100 1.00 0.01 O ATOM 1141 CB SER A 74 21.908 -0.977 9.197 1.00 0.00 C ATOM 1142 OG SER A 74 22.291 -2.308 9.507 1.00 0.01 O ATOM 0 H SER A 74 19.522 -1.792 8.952 1.00 0.01 H new ATOM 0 HA SER A 74 21.049 -0.854 11.159 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.567 -0.915 8.164 1.00 0.00 H new ATOM 0 HB3 SER A 74 22.764 -0.308 9.290 1.00 0.00 H new ATOM 0 HG SER A 74 22.606 -2.755 8.694 1.00 0.01 H new ATOM 1148 N VAL A 75 21.046 1.671 11.116 1.00 0.01 N ATOM 1149 CA VAL A 75 20.938 3.155 11.089 1.00 0.01 C ATOM 1150 C VAL A 75 21.770 3.673 9.917 1.00 0.00 C ATOM 1151 O VAL A 75 21.614 4.793 9.474 1.00 0.00 O ATOM 1152 CB VAL A 75 21.460 3.741 12.404 1.00 0.00 C ATOM 1153 CG1 VAL A 75 20.637 3.185 13.564 1.00 0.01 C ATOM 1154 CG2 VAL A 75 22.937 3.368 12.592 1.00 0.00 C ATOM 0 H VAL A 75 21.437 1.276 11.971 1.00 0.01 H new ATOM 0 HA VAL A 75 19.897 3.454 10.970 1.00 0.01 H new ATOM 0 HB VAL A 75 21.370 4.827 12.378 1.00 0.00 H new ATOM 0 HG11 VAL A 75 21.005 3.599 14.503 1.00 0.01 H new ATOM 0 HG12 VAL A 75 19.590 3.459 13.432 1.00 0.01 H new ATOM 0 HG13 VAL A 75 20.727 2.099 13.587 1.00 0.01 H new ATOM 0 HG21 VAL A 75 23.302 3.788 13.529 1.00 0.00 H new ATOM 0 HG22 VAL A 75 23.038 2.283 12.617 1.00 0.00 H new ATOM 0 HG23 VAL A 75 23.522 3.768 11.763 1.00 0.00 H new ATOM 1164 N GLN A 76 22.645 2.847 9.402 1.00 0.01 N ATOM 1165 CA GLN A 76 23.492 3.261 8.241 1.00 0.01 C ATOM 1166 C GLN A 76 22.838 2.764 6.952 1.00 0.01 C ATOM 1167 O GLN A 76 23.317 3.008 5.862 1.00 0.01 O ATOM 1168 CB GLN A 76 24.877 2.621 8.365 1.00 0.00 C ATOM 1169 CG GLN A 76 25.642 3.256 9.522 1.00 0.01 C ATOM 1170 CD GLN A 76 26.932 2.473 9.768 1.00 0.01 C ATOM 1171 OE1 GLN A 76 27.046 1.329 9.368 1.00 0.01 O ATOM 1172 NE2 GLN A 76 27.915 3.043 10.406 1.00 0.01 N ATOM 0 H GLN A 76 22.810 1.898 9.737 1.00 0.01 H new ATOM 0 HA GLN A 76 23.587 4.347 8.226 1.00 0.01 H new ATOM 0 HB2 GLN A 76 24.778 1.548 8.529 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.432 2.752 7.436 1.00 0.00 H new ATOM 0 HG2 GLN A 76 25.873 4.296 9.292 1.00 0.01 H new ATOM 0 HG3 GLN A 76 25.027 3.257 10.422 1.00 0.01 H new ATOM 0 HE21 GLN A 76 27.818 4.002 10.741 1.00 0.01 H new ATOM 0 HE22 GLN A 76 28.781 2.530 10.571 1.00 0.01 H new ATOM 1181 N ALA A 77 21.746 2.061 7.072 1.00 0.01 N ATOM 1182 CA ALA A 77 21.055 1.537 5.862 1.00 0.00 C ATOM 1183 C ALA A 77 20.878 2.660 4.839 1.00 0.01 C ATOM 1184 O ALA A 77 20.576 3.786 5.182 1.00 0.00 O ATOM 1185 CB ALA A 77 19.682 0.991 6.258 1.00 0.00 C ATOM 0 H ALA A 77 21.301 1.826 7.960 1.00 0.01 H new ATOM 0 HA ALA A 77 21.655 0.740 5.422 1.00 0.00 H new ATOM 0 HB1 ALA A 77 19.174 0.607 5.373 1.00 0.00 H new ATOM 0 HB2 ALA A 77 19.806 0.187 6.983 1.00 0.00 H new ATOM 0 HB3 ALA A 77 19.086 1.790 6.700 1.00 0.00 H new ATOM 1191 N THR A 78 21.061 2.359 3.583 1.00 0.01 N ATOM 1192 CA THR A 78 20.897 3.404 2.534 1.00 0.01 C ATOM 1193 C THR A 78 19.419 3.760 2.420 1.00 0.01 C ATOM 1194 O THR A 78 19.059 4.824 1.954 1.00 0.00 O ATOM 1195 CB THR A 78 21.398 2.859 1.196 1.00 0.00 C ATOM 1196 OG1 THR A 78 20.704 1.658 0.897 1.00 0.01 O ATOM 1197 CG2 THR A 78 22.899 2.578 1.290 1.00 0.01 C ATOM 0 H THR A 78 21.317 1.434 3.238 1.00 0.01 H new ATOM 0 HA THR A 78 21.470 4.293 2.799 1.00 0.01 H new ATOM 0 HB THR A 78 21.220 3.591 0.408 1.00 0.00 H new ATOM 0 HG1 THR A 78 21.019 1.303 0.039 1.00 0.01 H new ATOM 0 HG21 THR A 78 23.257 2.189 0.337 1.00 0.01 H new ATOM 0 HG22 THR A 78 23.428 3.501 1.527 1.00 0.01 H new ATOM 0 HG23 THR A 78 23.083 1.843 2.073 1.00 0.01 H new ATOM 1205 N LYS A 79 18.559 2.876 2.856 1.00 0.00 N ATOM 1206 CA LYS A 79 17.089 3.140 2.803 1.00 0.00 C ATOM 1207 C LYS A 79 16.497 2.884 4.188 1.00 0.00 C ATOM 1208 O LYS A 79 15.806 1.910 4.415 1.00 0.00 O ATOM 1209 CB LYS A 79 16.430 2.214 1.773 1.00 0.00 C ATOM 1210 CG LYS A 79 16.970 0.789 1.922 1.00 0.00 C ATOM 1211 CD LYS A 79 16.297 -0.110 0.884 1.00 0.01 C ATOM 1212 CE LYS A 79 16.790 -1.549 1.054 1.00 0.00 C ATOM 1213 NZ LYS A 79 18.251 -1.613 0.765 1.00 0.00 N ATOM 0 H LYS A 79 18.816 1.971 3.251 1.00 0.00 H new ATOM 0 HA LYS A 79 16.907 4.174 2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.349 2.217 1.910 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.625 2.581 0.765 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.051 0.780 1.784 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.774 0.415 2.927 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.214 -0.070 1.001 1.00 0.01 H new ATOM 0 HD3 LYS A 79 16.523 0.246 -0.121 1.00 0.01 H new ATOM 0 HE2 LYS A 79 16.594 -1.894 2.069 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.246 -2.213 0.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.462 -2.480 0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.530 -0.784 0.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.782 -1.620 1.659 1.00 0.00 H new ATOM 1227 N GLU A 80 16.766 3.758 5.119 1.00 0.00 N ATOM 1228 CA GLU A 80 16.225 3.568 6.490 1.00 0.00 C ATOM 1229 C GLU A 80 14.701 3.542 6.424 1.00 0.00 C ATOM 1230 O GLU A 80 14.088 4.297 5.694 1.00 0.00 O ATOM 1231 CB GLU A 80 16.678 4.724 7.388 1.00 0.00 C ATOM 1232 CG GLU A 80 18.168 4.580 7.698 1.00 0.00 C ATOM 1233 CD GLU A 80 18.658 5.827 8.437 1.00 0.01 C ATOM 1234 OE1 GLU A 80 19.069 6.762 7.771 1.00 0.01 O ATOM 1235 OE2 GLU A 80 18.613 5.825 9.657 1.00 0.00 O ATOM 0 H GLU A 80 17.336 4.593 4.988 1.00 0.00 H new ATOM 0 HA GLU A 80 16.593 2.629 6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.490 5.677 6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.102 4.726 8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.340 3.692 8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.731 4.447 6.774 1.00 0.00 H new ATOM 1242 N VAL A 81 14.085 2.678 7.181 1.00 0.00 N ATOM 1243 CA VAL A 81 12.595 2.592 7.164 1.00 0.00 C ATOM 1244 C VAL A 81 12.029 3.453 8.292 1.00 0.00 C ATOM 1245 O VAL A 81 12.594 3.540 9.363 1.00 0.00 O ATOM 1246 CB VAL A 81 12.171 1.136 7.368 1.00 0.00 C ATOM 1247 CG1 VAL A 81 12.412 0.345 6.080 1.00 0.00 C ATOM 1248 CG2 VAL A 81 12.994 0.518 8.501 1.00 0.00 C ATOM 0 H VAL A 81 14.549 2.025 7.813 1.00 0.00 H new ATOM 0 HA VAL A 81 12.215 2.950 6.207 1.00 0.00 H new ATOM 0 HB VAL A 81 11.112 1.102 7.624 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.109 -0.692 6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.828 0.782 5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.471 0.381 5.824 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.692 -0.519 8.646 1.00 0.00 H new ATOM 0 HG22 VAL A 81 14.053 0.555 8.244 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.824 1.078 9.421 1.00 0.00 H new ATOM 1258 N ASN A 82 10.918 4.094 8.055 1.00 0.00 N ATOM 1259 CA ASN A 82 10.323 4.955 9.113 1.00 0.00 C ATOM 1260 C ASN A 82 9.690 4.074 10.187 1.00 0.00 C ATOM 1261 O ASN A 82 8.640 3.496 10.000 1.00 0.00 O ATOM 1262 CB ASN A 82 9.256 5.859 8.491 1.00 0.00 C ATOM 1263 CG ASN A 82 8.392 5.043 7.527 1.00 0.00 C ATOM 1264 OD1 ASN A 82 7.720 5.595 6.678 1.00 0.00 O ATOM 1265 ND2 ASN A 82 8.381 3.740 7.622 1.00 0.00 N ATOM 0 H ASN A 82 10.399 4.059 7.178 1.00 0.00 H new ATOM 0 HA ASN A 82 11.100 5.572 9.565 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.634 6.296 9.272 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.729 6.686 7.961 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.809 3.187 6.984 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.945 3.276 8.334 1.00 0.00 H new ATOM 1272 N LEU A 83 10.331 3.969 11.317 1.00 0.00 N ATOM 1273 CA LEU A 83 9.794 3.128 12.428 1.00 0.00 C ATOM 1274 C LEU A 83 10.146 3.800 13.756 1.00 0.00 C ATOM 1275 O LEU A 83 10.965 4.697 13.807 1.00 0.00 O ATOM 1276 CB LEU A 83 10.430 1.731 12.388 1.00 0.01 C ATOM 1277 CG LEU A 83 9.979 0.955 11.137 1.00 0.00 C ATOM 1278 CD1 LEU A 83 10.798 -0.334 11.031 1.00 0.00 C ATOM 1279 CD2 LEU A 83 8.478 0.609 11.230 1.00 0.00 C ATOM 0 H LEU A 83 11.215 4.435 11.523 1.00 0.00 H new ATOM 0 HA LEU A 83 8.714 3.028 12.322 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.516 1.822 12.392 1.00 0.01 H new ATOM 0 HB3 LEU A 83 10.153 1.176 13.284 1.00 0.01 H new ATOM 0 HG LEU A 83 10.138 1.573 10.253 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.486 -0.892 10.148 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.856 -0.087 10.949 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.635 -0.943 11.920 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.175 0.061 10.338 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.300 -0.006 12.112 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.897 1.528 11.306 1.00 0.00 H new ATOM 1291 N ASP A 84 9.541 3.380 14.831 1.00 0.01 N ATOM 1292 CA ASP A 84 9.858 4.004 16.148 1.00 0.00 C ATOM 1293 C ASP A 84 11.253 3.562 16.584 1.00 0.00 C ATOM 1294 O ASP A 84 11.770 2.566 16.122 1.00 0.00 O ATOM 1295 CB ASP A 84 8.835 3.560 17.196 1.00 0.00 C ATOM 1296 CG ASP A 84 7.479 4.200 16.891 1.00 0.01 C ATOM 1297 OD1 ASP A 84 7.459 5.172 16.157 1.00 0.00 O ATOM 1298 OD2 ASP A 84 6.485 3.705 17.397 1.00 0.01 O ATOM 0 H ASP A 84 8.844 2.636 14.857 1.00 0.01 H new ATOM 0 HA ASP A 84 9.823 5.089 16.053 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.745 2.474 17.194 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.170 3.850 18.192 1.00 0.00 H new ATOM 1303 N SER A 85 11.867 4.289 17.473 1.00 0.00 N ATOM 1304 CA SER A 85 13.226 3.898 17.931 1.00 0.01 C ATOM 1305 C SER A 85 13.126 2.601 18.733 1.00 0.01 C ATOM 1306 O SER A 85 14.068 1.839 18.820 1.00 0.00 O ATOM 1307 CB SER A 85 13.810 5.001 18.813 1.00 0.01 C ATOM 1308 OG SER A 85 14.077 6.149 18.016 1.00 0.00 O ATOM 0 H SER A 85 11.488 5.134 17.901 1.00 0.00 H new ATOM 0 HA SER A 85 13.875 3.750 17.068 1.00 0.01 H new ATOM 0 HB2 SER A 85 13.111 5.253 19.611 1.00 0.01 H new ATOM 0 HB3 SER A 85 14.727 4.654 19.290 1.00 0.01 H new ATOM 0 HG SER A 85 14.450 6.859 18.579 1.00 0.00 H new ATOM 1314 N CYS A 86 11.989 2.345 19.323 1.00 0.01 N ATOM 1315 CA CYS A 86 11.829 1.096 20.119 1.00 0.01 C ATOM 1316 C CYS A 86 11.482 -0.065 19.185 1.00 0.00 C ATOM 1317 O CYS A 86 11.870 -1.193 19.416 1.00 0.01 O ATOM 1318 CB CYS A 86 10.709 1.287 21.143 1.00 0.01 C ATOM 1319 SG CYS A 86 10.901 2.898 21.944 1.00 0.01 S ATOM 0 H CYS A 86 11.166 2.946 19.288 1.00 0.01 H new ATOM 0 HA CYS A 86 12.761 0.872 20.639 1.00 0.01 H new ATOM 0 HB2 CYS A 86 9.738 1.225 20.653 1.00 0.01 H new ATOM 0 HB3 CYS A 86 10.741 0.491 21.887 1.00 0.01 H new ATOM 0 HG CYS A 86 9.950 3.066 22.814 1.00 0.01 H new ATOM 1325 N THR A 87 10.761 0.199 18.127 1.00 0.00 N ATOM 1326 CA THR A 87 10.409 -0.901 17.185 1.00 0.00 C ATOM 1327 C THR A 87 11.697 -1.502 16.637 1.00 0.00 C ATOM 1328 O THR A 87 11.868 -2.705 16.596 1.00 0.01 O ATOM 1329 CB THR A 87 9.567 -0.357 16.027 1.00 0.00 C ATOM 1330 OG1 THR A 87 8.375 0.217 16.539 1.00 0.00 O ATOM 1331 CG2 THR A 87 9.209 -1.501 15.073 1.00 0.00 C ATOM 0 H THR A 87 10.404 1.121 17.877 1.00 0.00 H new ATOM 0 HA THR A 87 9.831 -1.661 17.711 1.00 0.00 H new ATOM 0 HB THR A 87 10.137 0.401 15.490 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.944 -0.416 17.150 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.610 -1.114 14.249 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.123 -1.946 14.679 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.639 -2.259 15.611 1.00 0.00 H new ATOM 1339 N ARG A 88 12.615 -0.673 16.221 1.00 0.01 N ATOM 1340 CA ARG A 88 13.895 -1.201 15.685 1.00 0.00 C ATOM 1341 C ARG A 88 14.595 -1.989 16.795 1.00 0.00 C ATOM 1342 O ARG A 88 15.052 -3.096 16.593 1.00 0.01 O ATOM 1343 CB ARG A 88 14.780 -0.034 15.247 1.00 0.00 C ATOM 1344 CG ARG A 88 14.182 0.619 13.997 1.00 0.00 C ATOM 1345 CD ARG A 88 15.067 1.787 13.555 1.00 0.00 C ATOM 1346 NE ARG A 88 14.478 2.418 12.339 1.00 0.01 N ATOM 1347 CZ ARG A 88 14.901 3.588 11.941 1.00 0.00 C ATOM 1348 NH1 ARG A 88 15.816 4.220 12.623 1.00 0.00 N ATOM 1349 NH2 ARG A 88 14.407 4.126 10.859 1.00 0.01 N ATOM 0 H ARG A 88 12.532 0.344 16.230 1.00 0.01 H new ATOM 0 HA ARG A 88 13.708 -1.848 14.828 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.859 0.698 16.051 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.790 -0.388 15.038 1.00 0.00 H new ATOM 0 HG2 ARG A 88 14.102 -0.114 13.194 1.00 0.00 H new ATOM 0 HG3 ARG A 88 13.173 0.973 14.207 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.148 2.521 14.357 1.00 0.00 H new ATOM 0 HD3 ARG A 88 16.076 1.434 13.343 1.00 0.00 H new ATOM 0 HE ARG A 88 13.745 1.936 11.818 1.00 0.01 H new ATOM 0 HH11 ARG A 88 16.202 3.801 13.469 1.00 0.00 H new ATOM 0 HH12 ARG A 88 16.145 5.134 12.311 1.00 0.00 H new ATOM 0 HH21 ARG A 88 13.691 3.633 10.325 1.00 0.01 H new ATOM 0 HH22 ARG A 88 14.737 5.040 10.547 1.00 0.01 H new ATOM 1363 N GLU A 89 14.659 -1.425 17.972 1.00 0.01 N ATOM 1364 CA GLU A 89 15.305 -2.134 19.112 1.00 0.01 C ATOM 1365 C GLU A 89 14.552 -3.438 19.364 1.00 0.01 C ATOM 1366 O GLU A 89 15.137 -4.466 19.644 1.00 0.00 O ATOM 1367 CB GLU A 89 15.254 -1.257 20.363 1.00 0.01 C ATOM 1368 CG GLU A 89 16.200 -0.067 20.190 1.00 0.01 C ATOM 1369 CD GLU A 89 16.073 0.865 21.395 1.00 0.01 C ATOM 1370 OE1 GLU A 89 15.289 0.557 22.276 1.00 0.01 O ATOM 1371 OE2 GLU A 89 16.762 1.870 21.418 1.00 0.01 O ATOM 0 H GLU A 89 14.290 -0.500 18.192 1.00 0.01 H new ATOM 0 HA GLU A 89 16.348 -2.346 18.875 1.00 0.01 H new ATOM 0 HB2 GLU A 89 14.236 -0.905 20.532 1.00 0.01 H new ATOM 0 HB3 GLU A 89 15.540 -1.838 21.240 1.00 0.01 H new ATOM 0 HG2 GLU A 89 17.228 -0.417 20.094 1.00 0.01 H new ATOM 0 HG3 GLU A 89 15.960 0.472 19.273 1.00 0.01 H new ATOM 1378 N GLU A 90 13.251 -3.396 19.266 1.00 0.00 N ATOM 1379 CA GLU A 90 12.444 -4.625 19.498 1.00 0.01 C ATOM 1380 C GLU A 90 12.872 -5.684 18.486 1.00 0.01 C ATOM 1381 O GLU A 90 12.997 -6.849 18.803 1.00 0.01 O ATOM 1382 CB GLU A 90 10.960 -4.305 19.297 1.00 0.01 C ATOM 1383 CG GLU A 90 10.119 -5.551 19.595 1.00 0.00 C ATOM 1384 CD GLU A 90 8.636 -5.230 19.396 1.00 0.01 C ATOM 1385 OE1 GLU A 90 8.322 -4.064 19.223 1.00 0.00 O ATOM 1386 OE2 GLU A 90 7.843 -6.157 19.414 1.00 0.01 O ATOM 0 H GLU A 90 12.712 -2.561 19.035 1.00 0.00 H new ATOM 0 HA GLU A 90 12.600 -4.989 20.513 1.00 0.01 H new ATOM 0 HB2 GLU A 90 10.662 -3.488 19.954 1.00 0.01 H new ATOM 0 HB3 GLU A 90 10.785 -3.972 18.274 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.416 -6.368 18.937 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.295 -5.885 20.618 1.00 0.00 H new ATOM 1393 N THR A 91 13.103 -5.280 17.267 1.00 0.01 N ATOM 1394 CA THR A 91 13.533 -6.256 16.234 1.00 0.01 C ATOM 1395 C THR A 91 14.890 -6.827 16.635 1.00 0.01 C ATOM 1396 O THR A 91 15.142 -8.006 16.506 1.00 0.01 O ATOM 1397 CB THR A 91 13.660 -5.547 14.884 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.483 -4.790 14.635 1.00 0.00 O ATOM 1399 CG2 THR A 91 13.833 -6.589 13.781 1.00 0.01 C ATOM 0 H THR A 91 13.012 -4.317 16.945 1.00 0.01 H new ATOM 0 HA THR A 91 12.799 -7.058 16.152 1.00 0.01 H new ATOM 0 HB THR A 91 14.524 -4.883 14.900 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.450 -4.026 15.248 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.924 -6.087 12.818 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.732 -7.175 13.971 1.00 0.01 H new ATOM 0 HG23 THR A 91 12.966 -7.250 13.766 1.00 0.01 H new ATOM 1407 N SER A 92 15.767 -5.994 17.127 1.00 0.01 N ATOM 1408 CA SER A 92 17.110 -6.489 17.535 1.00 0.01 C ATOM 1409 C SER A 92 16.946 -7.550 18.624 1.00 0.01 C ATOM 1410 O SER A 92 17.595 -8.576 18.601 1.00 0.00 O ATOM 1411 CB SER A 92 17.938 -5.323 18.078 1.00 0.01 C ATOM 1412 OG SER A 92 17.453 -4.957 19.365 1.00 0.01 O ATOM 0 H SER A 92 15.611 -4.995 17.263 1.00 0.01 H new ATOM 0 HA SER A 92 17.618 -6.924 16.674 1.00 0.01 H new ATOM 0 HB2 SER A 92 18.989 -5.607 18.140 1.00 0.01 H new ATOM 0 HB3 SER A 92 17.877 -4.472 17.399 1.00 0.01 H new ATOM 0 HG SER A 92 16.561 -4.560 19.278 1.00 0.01 H new ATOM 1418 N ARG A 93 16.078 -7.323 19.573 1.00 0.01 N ATOM 1419 CA ARG A 93 15.880 -8.338 20.645 1.00 0.01 C ATOM 1420 C ARG A 93 15.250 -9.586 20.024 1.00 0.01 C ATOM 1421 O ARG A 93 15.603 -10.704 20.345 1.00 0.01 O ATOM 1422 CB ARG A 93 14.954 -7.779 21.727 1.00 0.00 C ATOM 1423 CG ARG A 93 15.677 -6.672 22.498 1.00 0.01 C ATOM 1424 CD ARG A 93 14.749 -6.120 23.580 1.00 0.01 C ATOM 1425 NE ARG A 93 13.516 -5.581 22.946 1.00 0.00 N ATOM 1426 CZ ARG A 93 12.465 -5.331 23.677 1.00 0.01 C ATOM 1427 NH1 ARG A 93 12.517 -5.490 24.971 1.00 0.00 N ATOM 1428 NH2 ARG A 93 11.366 -4.910 23.122 1.00 0.01 N ATOM 0 H ARG A 93 15.502 -6.485 19.652 1.00 0.01 H new ATOM 0 HA ARG A 93 16.839 -8.588 21.099 1.00 0.01 H new ATOM 0 HB2 ARG A 93 14.044 -7.386 21.274 1.00 0.00 H new ATOM 0 HB3 ARG A 93 14.653 -8.574 22.409 1.00 0.00 H new ATOM 0 HG2 ARG A 93 16.588 -7.063 22.950 1.00 0.01 H new ATOM 0 HG3 ARG A 93 15.976 -5.875 21.817 1.00 0.01 H new ATOM 0 HD2 ARG A 93 14.492 -6.906 24.290 1.00 0.01 H new ATOM 0 HD3 ARG A 93 15.255 -5.335 24.143 1.00 0.01 H new ATOM 0 HE ARG A 93 13.492 -5.407 21.941 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.380 -5.810 25.411 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.695 -5.294 25.542 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.324 -4.774 22.112 1.00 0.01 H new ATOM 0 HH22 ARG A 93 10.546 -4.716 23.697 1.00 0.01 H new ATOM 1442 N ASN A 94 14.327 -9.394 19.122 1.00 0.01 N ATOM 1443 CA ASN A 94 13.671 -10.550 18.452 1.00 0.01 C ATOM 1444 C ASN A 94 14.723 -11.320 17.657 1.00 0.01 C ATOM 1445 O ASN A 94 14.712 -12.529 17.595 1.00 0.01 O ATOM 1446 CB ASN A 94 12.582 -10.040 17.505 1.00 0.01 C ATOM 1447 CG ASN A 94 11.420 -9.473 18.325 1.00 0.01 C ATOM 1448 OD1 ASN A 94 11.205 -9.874 19.452 1.00 0.00 O ATOM 1449 ND2 ASN A 94 10.659 -8.549 17.805 1.00 0.01 N ATOM 0 H ASN A 94 13.997 -8.478 18.819 1.00 0.01 H new ATOM 0 HA ASN A 94 13.219 -11.205 19.197 1.00 0.01 H new ATOM 0 HB2 ASN A 94 12.987 -9.271 16.848 1.00 0.01 H new ATOM 0 HB3 ASN A 94 12.230 -10.851 16.867 1.00 0.01 H new ATOM 0 HD21 ASN A 94 9.884 -8.163 18.344 1.00 0.01 H new ATOM 0 HD22 ASN A 94 10.839 -8.212 16.859 1.00 0.01 H new ATOM 1456 N MET A 95 15.635 -10.619 17.043 1.00 0.01 N ATOM 1457 CA MET A 95 16.691 -11.300 16.245 1.00 0.01 C ATOM 1458 C MET A 95 17.486 -12.247 17.143 1.00 0.01 C ATOM 1459 O MET A 95 17.956 -13.274 16.703 1.00 0.01 O ATOM 1460 CB MET A 95 17.621 -10.250 15.637 1.00 0.01 C ATOM 1461 CG MET A 95 16.903 -9.544 14.483 1.00 0.01 C ATOM 1462 SD MET A 95 17.727 -7.971 14.140 1.00 0.01 S ATOM 1463 CE MET A 95 19.349 -8.661 13.747 1.00 0.01 C ATOM 0 H MET A 95 15.694 -9.601 17.060 1.00 0.01 H new ATOM 0 HA MET A 95 16.229 -11.878 15.445 1.00 0.01 H new ATOM 0 HB2 MET A 95 17.914 -9.525 16.396 1.00 0.01 H new ATOM 0 HB3 MET A 95 18.535 -10.722 15.277 1.00 0.01 H new ATOM 0 HG2 MET A 95 16.912 -10.174 13.594 1.00 0.01 H new ATOM 0 HG3 MET A 95 15.858 -9.372 14.741 1.00 0.01 H new ATOM 0 HE1 MET A 95 19.868 -7.999 13.054 1.00 0.01 H new ATOM 0 HE2 MET A 95 19.934 -8.760 14.662 1.00 0.01 H new ATOM 0 HE3 MET A 95 19.226 -9.642 13.288 1.00 0.01 H new ATOM 1473 N LEU A 96 17.629 -11.926 18.399 1.00 0.01 N ATOM 1474 CA LEU A 96 18.377 -12.839 19.308 1.00 0.01 C ATOM 1475 C LEU A 96 17.578 -14.141 19.396 1.00 0.01 C ATOM 1476 O LEU A 96 18.095 -15.198 19.701 1.00 0.01 O ATOM 1477 CB LEU A 96 18.479 -12.209 20.700 1.00 0.01 C ATOM 1478 CG LEU A 96 19.215 -10.866 20.624 1.00 0.01 C ATOM 1479 CD1 LEU A 96 19.193 -10.208 22.006 1.00 0.01 C ATOM 1480 CD2 LEU A 96 20.673 -11.080 20.181 1.00 0.01 C ATOM 0 H LEU A 96 17.264 -11.078 18.833 1.00 0.01 H new ATOM 0 HA LEU A 96 19.384 -13.021 18.933 1.00 0.01 H new ATOM 0 HB2 LEU A 96 17.481 -12.062 21.114 1.00 0.01 H new ATOM 0 HB3 LEU A 96 19.007 -12.883 21.374 1.00 0.01 H new ATOM 0 HG LEU A 96 18.718 -10.225 19.896 1.00 0.01 H new ATOM 0 HD11 LEU A 96 19.714 -9.252 21.962 1.00 0.01 H new ATOM 0 HD12 LEU A 96 18.161 -10.045 22.315 1.00 0.01 H new ATOM 0 HD13 LEU A 96 19.689 -10.859 22.727 1.00 0.01 H new ATOM 0 HD21 LEU A 96 21.183 -10.118 20.131 1.00 0.01 H new ATOM 0 HD22 LEU A 96 21.181 -11.723 20.899 1.00 0.01 H new ATOM 0 HD23 LEU A 96 20.689 -11.550 19.198 1.00 0.01 H new ATOM 1492 N GLU A 97 16.308 -14.044 19.110 1.00 0.01 N ATOM 1493 CA GLU A 97 15.400 -15.227 19.141 1.00 0.01 C ATOM 1494 C GLU A 97 14.410 -15.078 17.977 1.00 0.01 C ATOM 1495 O GLU A 97 13.302 -14.615 18.167 1.00 0.01 O ATOM 1496 CB GLU A 97 14.625 -15.235 20.460 1.00 0.01 C ATOM 1497 CG GLU A 97 15.535 -15.724 21.589 1.00 0.01 C ATOM 1498 CD GLU A 97 14.719 -15.872 22.875 1.00 0.01 C ATOM 1499 OE1 GLU A 97 13.689 -15.226 22.976 1.00 0.01 O ATOM 1500 OE2 GLU A 97 15.137 -16.627 23.736 1.00 0.01 O ATOM 0 H GLU A 97 15.850 -13.171 18.849 1.00 0.01 H new ATOM 0 HA GLU A 97 15.968 -16.153 19.054 1.00 0.01 H new ATOM 0 HB2 GLU A 97 14.258 -14.233 20.684 1.00 0.01 H new ATOM 0 HB3 GLU A 97 13.752 -15.883 20.377 1.00 0.01 H new ATOM 0 HG2 GLU A 97 15.985 -16.679 21.319 1.00 0.01 H new ATOM 0 HG3 GLU A 97 16.352 -15.019 21.743 1.00 0.01 H new ATOM 1507 N PRO A 98 14.806 -15.422 16.768 1.00 0.01 N ATOM 1508 CA PRO A 98 13.906 -15.256 15.593 1.00 0.01 C ATOM 1509 C PRO A 98 12.539 -15.916 15.795 1.00 0.01 C ATOM 1510 O PRO A 98 12.422 -17.122 15.887 1.00 0.01 O ATOM 1511 CB PRO A 98 14.713 -15.915 14.457 1.00 0.00 C ATOM 1512 CG PRO A 98 16.158 -16.094 14.952 1.00 0.01 C ATOM 1513 CD PRO A 98 16.150 -16.005 16.488 1.00 0.01 C ATOM 0 HA PRO A 98 13.653 -14.214 15.396 1.00 0.01 H new ATOM 0 HB2 PRO A 98 14.279 -16.878 14.188 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.690 -15.294 13.561 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.555 -17.056 14.628 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.804 -15.324 14.529 1.00 0.01 H new ATOM 0 HD2 PRO A 98 16.273 -16.983 16.952 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.954 -15.371 16.862 1.00 0.01 H new ATOM 1521 N THR A 99 11.505 -15.119 15.853 1.00 0.01 N ATOM 1522 CA THR A 99 10.122 -15.653 16.038 1.00 0.01 C ATOM 1523 C THR A 99 9.237 -15.084 14.933 1.00 0.01 C ATOM 1524 O THR A 99 9.624 -14.180 14.221 1.00 0.01 O ATOM 1525 CB THR A 99 9.582 -15.220 17.407 1.00 0.00 C ATOM 1526 OG1 THR A 99 9.764 -13.820 17.563 1.00 0.01 O ATOM 1527 CG2 THR A 99 10.327 -15.964 18.519 1.00 0.00 C ATOM 0 H THR A 99 11.561 -14.103 15.779 1.00 0.01 H new ATOM 0 HA THR A 99 10.129 -16.742 15.990 1.00 0.01 H new ATOM 0 HB THR A 99 8.520 -15.459 17.469 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.892 -13.387 17.675 1.00 0.01 H new ATOM 0 HG21 THR A 99 9.939 -15.652 19.489 1.00 0.00 H new ATOM 0 HG22 THR A 99 10.182 -17.038 18.399 1.00 0.00 H new ATOM 0 HG23 THR A 99 11.391 -15.733 18.462 1.00 0.00 H new ATOM 1535 N ILE A 100 8.056 -15.609 14.774 1.00 0.00 N ATOM 1536 CA ILE A 100 7.156 -15.104 13.702 1.00 0.01 C ATOM 1537 C ILE A 100 6.662 -13.701 14.067 1.00 0.01 C ATOM 1538 O ILE A 100 6.204 -12.959 13.226 1.00 0.01 O ATOM 1539 CB ILE A 100 5.970 -16.066 13.539 1.00 0.00 C ATOM 1540 CG1 ILE A 100 5.185 -15.722 12.261 1.00 0.01 C ATOM 1541 CG2 ILE A 100 5.038 -15.949 14.748 1.00 0.01 C ATOM 1542 CD1 ILE A 100 6.013 -16.051 11.008 1.00 0.01 C ATOM 0 H ILE A 100 7.674 -16.367 15.340 1.00 0.00 H new ATOM 0 HA ILE A 100 7.698 -15.049 12.758 1.00 0.01 H new ATOM 0 HB ILE A 100 6.351 -17.085 13.467 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.249 -16.281 12.242 1.00 0.01 H new ATOM 0 HG13 ILE A 100 4.924 -14.664 12.263 1.00 0.01 H new ATOM 0 HG21 ILE A 100 4.198 -16.633 14.628 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.586 -16.203 15.656 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.666 -14.927 14.823 1.00 0.01 H new ATOM 0 HD11 ILE A 100 5.439 -15.800 10.116 1.00 0.01 H new ATOM 0 HD12 ILE A 100 6.937 -15.472 11.020 1.00 0.01 H new ATOM 0 HD13 ILE A 100 6.252 -17.115 10.998 1.00 0.01 H new ATOM 1554 N THR A 101 6.746 -13.334 15.318 1.00 0.00 N ATOM 1555 CA THR A 101 6.274 -11.980 15.738 1.00 0.01 C ATOM 1556 C THR A 101 7.445 -10.992 15.713 1.00 0.01 C ATOM 1557 O THR A 101 7.341 -9.874 16.179 1.00 0.01 O ATOM 1558 CB THR A 101 5.713 -12.063 17.159 1.00 0.01 C ATOM 1559 OG1 THR A 101 6.737 -12.494 18.048 1.00 0.00 O ATOM 1560 CG2 THR A 101 4.556 -13.061 17.192 1.00 0.01 C ATOM 0 H THR A 101 7.121 -13.913 16.069 1.00 0.00 H new ATOM 0 HA THR A 101 5.499 -11.637 15.052 1.00 0.01 H new ATOM 0 HB THR A 101 5.354 -11.081 17.467 1.00 0.01 H new ATOM 0 HG1 THR A 101 6.379 -12.546 18.959 1.00 0.00 H new ATOM 0 HG21 THR A 101 4.156 -13.121 18.204 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.772 -12.731 16.510 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.914 -14.044 16.885 1.00 0.01 H new ATOM 1568 N CYS A 102 8.563 -11.401 15.182 1.00 0.00 N ATOM 1569 CA CYS A 102 9.752 -10.500 15.132 1.00 0.00 C ATOM 1570 C CYS A 102 9.450 -9.234 14.322 1.00 0.01 C ATOM 1571 O CYS A 102 9.443 -8.139 14.848 1.00 0.01 O ATOM 1572 CB CYS A 102 10.912 -11.243 14.473 1.00 0.00 C ATOM 1573 SG CYS A 102 12.307 -10.109 14.256 1.00 0.01 S ATOM 0 H CYS A 102 8.707 -12.326 14.777 1.00 0.00 H new ATOM 0 HA CYS A 102 10.009 -10.209 16.151 1.00 0.00 H new ATOM 0 HB2 CYS A 102 11.211 -12.092 15.088 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.601 -11.643 13.508 1.00 0.00 H new ATOM 0 HG CYS A 102 12.391 -9.758 13.007 1.00 0.01 H new ATOM 1579 N PHE A 103 9.229 -9.371 13.040 1.00 0.00 N ATOM 1580 CA PHE A 103 8.961 -8.171 12.187 1.00 0.01 C ATOM 1581 C PHE A 103 7.461 -7.892 12.096 1.00 0.01 C ATOM 1582 O PHE A 103 7.043 -6.952 11.449 1.00 0.00 O ATOM 1583 CB PHE A 103 9.513 -8.428 10.782 1.00 0.00 C ATOM 1584 CG PHE A 103 11.021 -8.363 10.811 1.00 0.00 C ATOM 1585 CD1 PHE A 103 11.769 -9.515 11.078 1.00 0.01 C ATOM 1586 CD2 PHE A 103 11.669 -7.149 10.565 1.00 0.00 C ATOM 1587 CE1 PHE A 103 13.169 -9.450 11.100 1.00 0.01 C ATOM 1588 CE2 PHE A 103 13.067 -7.084 10.585 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.817 -8.234 10.854 1.00 0.00 C ATOM 0 H PHE A 103 9.222 -10.263 12.545 1.00 0.00 H new ATOM 0 HA PHE A 103 9.447 -7.305 12.635 1.00 0.01 H new ATOM 0 HB2 PHE A 103 9.188 -9.405 10.426 1.00 0.00 H new ATOM 0 HB3 PHE A 103 9.120 -7.688 10.085 1.00 0.00 H new ATOM 0 HD1 PHE A 103 11.268 -10.453 11.267 1.00 0.01 H new ATOM 0 HD2 PHE A 103 11.090 -6.261 10.359 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.748 -10.338 11.307 1.00 0.01 H new ATOM 0 HE2 PHE A 103 13.567 -6.146 10.393 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.896 -8.183 10.872 1.00 0.00 H new ATOM 1599 N ASP A 104 6.641 -8.683 12.728 1.00 0.01 N ATOM 1600 CA ASP A 104 5.175 -8.423 12.655 1.00 0.01 C ATOM 1601 C ASP A 104 4.892 -7.036 13.228 1.00 0.00 C ATOM 1602 O ASP A 104 4.074 -6.295 12.721 1.00 0.01 O ATOM 1603 CB ASP A 104 4.416 -9.464 13.476 1.00 0.01 C ATOM 1604 CG ASP A 104 4.522 -10.827 12.794 1.00 0.01 C ATOM 1605 OD1 ASP A 104 5.497 -11.037 12.096 1.00 0.00 O ATOM 1606 OD2 ASP A 104 3.629 -11.636 12.985 1.00 0.01 O ATOM 0 H ASP A 104 6.917 -9.490 13.287 1.00 0.01 H new ATOM 0 HA ASP A 104 4.850 -8.480 11.616 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.826 -9.517 14.484 1.00 0.01 H new ATOM 0 HB3 ASP A 104 3.370 -9.174 13.573 1.00 0.01 H new ATOM 1611 N GLU A 105 5.563 -6.687 14.289 1.00 0.00 N ATOM 1612 CA GLU A 105 5.336 -5.354 14.908 1.00 0.00 C ATOM 1613 C GLU A 105 5.738 -4.256 13.925 1.00 0.00 C ATOM 1614 O GLU A 105 5.080 -3.241 13.819 1.00 0.01 O ATOM 1615 CB GLU A 105 6.177 -5.229 16.183 1.00 0.00 C ATOM 1616 CG GLU A 105 5.853 -3.911 16.893 1.00 0.00 C ATOM 1617 CD GLU A 105 4.400 -3.931 17.369 1.00 0.01 C ATOM 1618 OE1 GLU A 105 3.866 -5.017 17.527 1.00 0.00 O ATOM 1619 OE2 GLU A 105 3.843 -2.861 17.560 1.00 0.01 O ATOM 0 H GLU A 105 6.260 -7.269 14.754 1.00 0.00 H new ATOM 0 HA GLU A 105 4.280 -5.249 15.157 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.974 -6.069 16.847 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.238 -5.268 15.935 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.523 -3.769 17.741 1.00 0.00 H new ATOM 0 HG3 GLU A 105 6.013 -3.072 16.216 1.00 0.00 H new ATOM 1626 N ALA A 106 6.812 -4.438 13.210 1.00 0.00 N ATOM 1627 CA ALA A 106 7.239 -3.385 12.251 1.00 0.00 C ATOM 1628 C ALA A 106 6.219 -3.296 11.118 1.00 0.00 C ATOM 1629 O ALA A 106 5.883 -2.221 10.667 1.00 0.00 O ATOM 1630 CB ALA A 106 8.616 -3.726 11.678 1.00 0.00 C ATOM 0 H ALA A 106 7.408 -5.265 13.248 1.00 0.00 H new ATOM 0 HA ALA A 106 7.299 -2.427 12.768 1.00 0.00 H new ATOM 0 HB1 ALA A 106 8.921 -2.949 10.977 1.00 0.00 H new ATOM 0 HB2 ALA A 106 9.342 -3.788 12.489 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.568 -4.684 11.160 1.00 0.00 H new ATOM 1636 N GLN A 107 5.717 -4.407 10.657 1.00 0.00 N ATOM 1637 CA GLN A 107 4.713 -4.358 9.557 1.00 0.00 C ATOM 1638 C GLN A 107 3.509 -3.546 10.031 1.00 0.00 C ATOM 1639 O GLN A 107 2.971 -2.730 9.310 1.00 0.00 O ATOM 1640 CB GLN A 107 4.258 -5.781 9.202 1.00 0.00 C ATOM 1641 CG GLN A 107 3.242 -5.721 8.055 1.00 0.00 C ATOM 1642 CD GLN A 107 2.785 -7.130 7.683 1.00 0.00 C ATOM 1643 OE1 GLN A 107 2.055 -7.758 8.418 1.00 0.00 O ATOM 1644 NE2 GLN A 107 3.184 -7.653 6.555 1.00 0.00 N ATOM 0 H GLN A 107 5.956 -5.341 10.991 1.00 0.00 H new ATOM 0 HA GLN A 107 5.156 -3.896 8.675 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.116 -6.387 8.911 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.811 -6.260 10.073 1.00 0.00 H new ATOM 0 HG2 GLN A 107 2.383 -5.118 8.351 1.00 0.00 H new ATOM 0 HG3 GLN A 107 3.689 -5.235 7.188 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.799 -7.124 5.937 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.881 -8.591 6.292 1.00 0.00 H new ATOM 1653 N LYS A 108 3.083 -3.768 11.240 1.00 0.00 N ATOM 1654 CA LYS A 108 1.916 -3.016 11.774 1.00 0.00 C ATOM 1655 C LYS A 108 2.232 -1.520 11.756 1.00 0.00 C ATOM 1656 O LYS A 108 1.402 -0.703 11.414 1.00 0.00 O ATOM 1657 CB LYS A 108 1.656 -3.456 13.216 1.00 0.00 C ATOM 1658 CG LYS A 108 0.397 -2.772 13.748 1.00 0.00 C ATOM 1659 CD LYS A 108 0.179 -3.174 15.206 1.00 0.01 C ATOM 1660 CE LYS A 108 -1.102 -2.522 15.726 1.00 0.00 C ATOM 1661 NZ LYS A 108 -2.257 -2.988 14.908 1.00 0.00 N ATOM 0 H LYS A 108 3.495 -4.442 11.886 1.00 0.00 H new ATOM 0 HA LYS A 108 1.036 -3.214 11.162 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.539 -4.539 13.260 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.511 -3.203 13.843 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.497 -1.689 13.669 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.467 -3.057 13.147 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.108 -4.258 15.289 1.00 0.01 H new ATOM 0 HD3 LYS A 108 1.030 -2.863 15.812 1.00 0.01 H new ATOM 0 HE2 LYS A 108 -1.256 -2.780 16.774 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.019 -1.436 15.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.142 -2.806 15.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.270 -2.476 14.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.165 -4.008 14.727 1.00 0.00 H new ATOM 1675 N LYS A 109 3.432 -1.160 12.119 1.00 0.01 N ATOM 1676 CA LYS A 109 3.806 0.280 12.125 1.00 0.00 C ATOM 1677 C LYS A 109 3.727 0.824 10.696 1.00 0.00 C ATOM 1678 O LYS A 109 3.282 1.932 10.472 1.00 0.00 O ATOM 1679 CB LYS A 109 5.227 0.442 12.683 1.00 0.00 C ATOM 1680 CG LYS A 109 5.275 0.006 14.160 1.00 0.00 C ATOM 1681 CD LYS A 109 4.555 1.028 15.055 1.00 0.01 C ATOM 1682 CE LYS A 109 4.930 0.784 16.521 1.00 0.00 C ATOM 1683 NZ LYS A 109 6.273 1.366 16.797 1.00 0.01 N ATOM 0 H LYS A 109 4.169 -1.802 12.412 1.00 0.01 H new ATOM 0 HA LYS A 109 3.118 0.840 12.759 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.925 -0.156 12.097 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.544 1.481 12.593 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.808 -0.973 14.270 1.00 0.00 H new ATOM 0 HG3 LYS A 109 6.312 -0.097 14.480 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.832 2.041 14.762 1.00 0.01 H new ATOM 0 HD3 LYS A 109 3.476 0.942 14.926 1.00 0.01 H new ATOM 0 HE2 LYS A 109 4.185 1.235 17.177 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.936 -0.285 16.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.433 1.399 17.824 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 7.005 0.777 16.351 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 6.320 2.330 16.409 1.00 0.01 H new ATOM 1697 N ILE A 110 4.138 0.055 9.724 1.00 0.00 N ATOM 1698 CA ILE A 110 4.055 0.546 8.320 1.00 0.00 C ATOM 1699 C ILE A 110 2.576 0.723 7.960 1.00 0.00 C ATOM 1700 O ILE A 110 2.169 1.751 7.456 1.00 0.00 O ATOM 1701 CB ILE A 110 4.698 -0.475 7.371 1.00 0.00 C ATOM 1702 CG1 ILE A 110 6.189 -0.662 7.718 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.557 -0.001 5.912 1.00 0.00 C ATOM 1704 CD1 ILE A 110 6.951 0.672 7.653 1.00 0.00 C ATOM 0 H ILE A 110 4.524 -0.882 9.840 1.00 0.00 H new ATOM 0 HA ILE A 110 4.584 1.494 8.224 1.00 0.00 H new ATOM 0 HB ILE A 110 4.186 -1.430 7.488 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.281 -1.087 8.717 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.639 -1.374 7.026 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.016 -0.732 5.246 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.501 0.103 5.664 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.054 0.962 5.792 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.999 0.505 7.903 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.879 1.083 6.646 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.516 1.375 8.364 1.00 0.00 H new ATOM 1716 N PHE A 111 1.767 -0.267 8.231 1.00 0.00 N ATOM 1717 CA PHE A 111 0.312 -0.148 7.923 1.00 0.00 C ATOM 1718 C PHE A 111 -0.276 1.030 8.710 1.00 0.00 C ATOM 1719 O PHE A 111 -0.950 1.881 8.166 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.399 -1.465 8.334 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.667 -2.318 7.112 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.383 -2.648 6.252 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -1.968 -2.757 6.831 1.00 0.00 C ATOM 1724 CE1 PHE A 111 0.133 -3.416 5.110 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -2.217 -3.528 5.694 1.00 0.00 C ATOM 1726 CZ PHE A 111 -1.168 -3.857 4.830 1.00 0.00 C ATOM 0 H PHE A 111 2.051 -1.152 8.652 1.00 0.00 H new ATOM 0 HA PHE A 111 0.167 0.026 6.857 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.220 -2.016 9.042 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.337 -1.238 8.841 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.386 -2.311 6.468 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.779 -2.498 7.495 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.944 -3.670 4.443 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.219 -3.870 5.482 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.360 -4.450 3.948 1.00 0.00 H new ATOM 1736 N ASN A 112 -0.030 1.081 9.985 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.581 2.198 10.798 1.00 0.00 C ATOM 1738 C ASN A 112 -0.035 3.528 10.276 1.00 0.00 C ATOM 1739 O ASN A 112 -0.744 4.510 10.188 1.00 0.00 O ATOM 1740 CB ASN A 112 -0.166 2.011 12.258 1.00 0.00 C ATOM 1741 CG ASN A 112 -0.921 0.820 12.852 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -0.700 0.452 13.988 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -1.808 0.195 12.123 1.00 0.00 N ATOM 0 H ASN A 112 0.528 0.400 10.500 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.669 2.202 10.725 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.909 1.844 12.323 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.383 2.914 12.828 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.315 -0.602 12.508 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.993 0.504 11.169 1.00 0.00 H new ATOM 1750 N LEU A 113 1.220 3.564 9.936 1.00 0.00 N ATOM 1751 CA LEU A 113 1.823 4.827 9.426 1.00 0.00 C ATOM 1752 C LEU A 113 1.133 5.261 8.128 1.00 0.00 C ATOM 1753 O LEU A 113 0.620 6.358 8.027 1.00 0.00 O ATOM 1754 CB LEU A 113 3.313 4.572 9.167 1.00 0.00 C ATOM 1755 CG LEU A 113 3.994 5.825 8.603 1.00 0.00 C ATOM 1756 CD1 LEU A 113 3.887 6.989 9.605 1.00 0.00 C ATOM 1757 CD2 LEU A 113 5.470 5.499 8.334 1.00 0.00 C ATOM 0 H LEU A 113 1.859 2.770 9.989 1.00 0.00 H new ATOM 0 HA LEU A 113 1.696 5.623 10.159 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.802 4.274 10.095 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.428 3.745 8.467 1.00 0.00 H new ATOM 0 HG LEU A 113 3.503 6.125 7.677 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.375 7.871 9.191 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.837 7.210 9.795 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.374 6.710 10.540 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.970 6.380 7.932 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.952 5.201 9.265 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.537 4.684 7.614 1.00 0.00 H new ATOM 1769 N MET A 114 1.125 4.420 7.128 1.00 0.00 N ATOM 1770 CA MET A 114 0.479 4.803 5.839 1.00 0.00 C ATOM 1771 C MET A 114 -1.044 4.874 6.006 1.00 0.00 C ATOM 1772 O MET A 114 -1.698 5.735 5.455 1.00 0.00 O ATOM 1773 CB MET A 114 0.850 3.778 4.753 1.00 0.00 C ATOM 1774 CG MET A 114 0.361 2.367 5.147 1.00 0.00 C ATOM 1775 SD MET A 114 1.571 1.124 4.610 1.00 0.00 S ATOM 1776 CE MET A 114 0.734 0.563 3.105 1.00 0.00 C ATOM 0 H MET A 114 1.537 3.487 7.148 1.00 0.00 H new ATOM 0 HA MET A 114 0.837 5.788 5.539 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.405 4.071 3.802 1.00 0.00 H new ATOM 0 HB3 MET A 114 1.930 3.767 4.609 1.00 0.00 H new ATOM 0 HG2 MET A 114 0.221 2.309 6.226 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.608 2.167 4.689 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.477 0.285 2.358 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.111 -0.301 3.336 1.00 0.00 H new ATOM 0 HE3 MET A 114 0.110 1.367 2.715 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.616 3.979 6.759 1.00 0.00 N ATOM 1787 CA GLU A 115 -3.097 3.999 6.938 1.00 0.00 C ATOM 1788 C GLU A 115 -3.536 5.326 7.562 1.00 0.00 C ATOM 1789 O GLU A 115 -4.485 5.944 7.130 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.503 2.848 7.862 1.00 0.00 C ATOM 1791 CG GLU A 115 -5.024 2.831 8.029 1.00 0.01 C ATOM 1792 CD GLU A 115 -5.431 1.608 8.855 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.575 0.772 9.102 1.00 0.00 O ATOM 1794 OE2 GLU A 115 -6.590 1.527 9.226 1.00 0.01 O ATOM 0 H GLU A 115 -1.126 3.236 7.258 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.578 3.888 5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -3.163 1.899 7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.022 2.962 8.834 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -5.357 3.744 8.522 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -5.508 2.802 7.053 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.870 5.764 8.583 1.00 0.01 N ATOM 1802 CA LYS A 116 -3.268 7.042 9.231 1.00 0.00 C ATOM 1803 C LYS A 116 -2.932 8.247 8.340 1.00 0.01 C ATOM 1804 O LYS A 116 -3.668 9.215 8.303 1.00 0.00 O ATOM 1805 CB LYS A 116 -2.543 7.176 10.570 1.00 0.00 C ATOM 1806 CG LYS A 116 -3.108 6.149 11.557 1.00 0.00 C ATOM 1807 CD LYS A 116 -2.547 6.413 12.957 1.00 0.00 C ATOM 1808 CE LYS A 116 -1.033 6.177 12.971 1.00 0.00 C ATOM 1809 NZ LYS A 116 -0.583 5.971 14.374 1.00 0.00 N ATOM 0 H LYS A 116 -2.066 5.295 9.000 1.00 0.01 H new ATOM 0 HA LYS A 116 -4.347 7.028 9.388 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -1.473 7.017 10.435 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -2.668 8.184 10.965 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -4.196 6.208 11.574 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.848 5.140 11.235 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -2.766 7.438 13.258 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -3.032 5.758 13.681 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -0.783 5.306 12.365 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -0.516 7.030 12.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 0.444 5.810 14.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -0.810 6.814 14.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -1.069 5.144 14.776 1.00 0.00 H new ATOM 1823 N ASP A 117 -1.810 8.224 7.659 1.00 0.00 N ATOM 1824 CA ASP A 117 -1.406 9.403 6.816 1.00 0.00 C ATOM 1825 C ASP A 117 -1.647 9.169 5.319 1.00 0.00 C ATOM 1826 O ASP A 117 -2.292 9.963 4.660 1.00 0.00 O ATOM 1827 CB ASP A 117 0.087 9.666 7.026 1.00 0.00 C ATOM 1828 CG ASP A 117 0.506 10.912 6.245 1.00 0.00 C ATOM 1829 OD1 ASP A 117 -0.366 11.567 5.703 1.00 0.00 O ATOM 1830 OD2 ASP A 117 1.693 11.195 6.209 1.00 0.00 O ATOM 0 H ASP A 117 -1.155 7.442 7.648 1.00 0.00 H new ATOM 0 HA ASP A 117 -2.017 10.251 7.125 1.00 0.00 H new ATOM 0 HB2 ASP A 117 0.296 9.803 8.087 1.00 0.00 H new ATOM 0 HB3 ASP A 117 0.668 8.805 6.695 1.00 0.00 H new ATOM 1835 N SER A 118 -1.101 8.127 4.756 1.00 0.00 N ATOM 1836 CA SER A 118 -1.270 7.911 3.287 1.00 0.00 C ATOM 1837 C SER A 118 -2.749 7.819 2.903 1.00 0.00 C ATOM 1838 O SER A 118 -3.183 8.462 1.974 1.00 0.01 O ATOM 1839 CB SER A 118 -0.558 6.623 2.864 1.00 0.00 C ATOM 1840 OG SER A 118 -1.378 5.504 3.168 1.00 0.00 O ATOM 0 H SER A 118 -0.549 7.420 5.242 1.00 0.00 H new ATOM 0 HA SER A 118 -0.832 8.766 2.772 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.342 6.649 1.796 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.398 6.537 3.381 1.00 0.00 H new ATOM 0 HG SER A 118 -1.825 5.650 4.028 1.00 0.00 H new ATOM 1846 N TYR A 119 -3.527 7.027 3.589 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.971 6.905 3.209 1.00 0.00 C ATOM 1848 C TYR A 119 -5.654 8.270 3.255 1.00 0.01 C ATOM 1849 O TYR A 119 -6.324 8.667 2.323 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.676 5.912 4.161 1.00 0.00 C ATOM 1851 CG TYR A 119 -6.163 4.709 3.386 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -5.267 3.996 2.586 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -7.503 4.319 3.459 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.711 2.893 1.860 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.947 3.214 2.733 1.00 0.01 C ATOM 1856 CZ TYR A 119 -7.048 2.502 1.933 1.00 0.00 C ATOM 1857 OH TYR A 119 -7.478 1.408 1.215 1.00 0.00 O ATOM 0 H TYR A 119 -3.234 6.464 4.387 1.00 0.01 H new ATOM 0 HA TYR A 119 -5.040 6.527 2.189 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.987 5.596 4.944 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.516 6.402 4.654 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -4.232 4.299 2.530 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -8.194 4.873 4.077 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -5.020 2.341 1.241 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.982 2.909 2.789 1.00 0.01 H new ATOM 0 HH TYR A 119 -8.424 1.518 0.986 1.00 0.00 H new ATOM 1867 N ARG A 120 -5.504 8.991 4.318 1.00 0.00 N ATOM 1868 CA ARG A 120 -6.160 10.318 4.382 1.00 0.01 C ATOM 1869 C ARG A 120 -5.602 11.168 3.244 1.00 0.00 C ATOM 1870 O ARG A 120 -6.318 11.888 2.576 1.00 0.00 O ATOM 1871 CB ARG A 120 -5.853 10.969 5.736 1.00 0.00 C ATOM 1872 CG ARG A 120 -6.385 10.081 6.878 1.00 0.01 C ATOM 1873 CD ARG A 120 -7.890 10.316 7.089 1.00 0.00 C ATOM 1874 NE ARG A 120 -8.444 9.280 8.025 1.00 0.01 N ATOM 1875 CZ ARG A 120 -8.411 8.006 7.732 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -8.022 7.610 6.551 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -8.810 7.128 8.612 1.00 0.01 N ATOM 0 H ARG A 120 -4.962 8.725 5.140 1.00 0.00 H new ATOM 0 HA ARG A 120 -7.241 10.226 4.281 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -4.778 11.112 5.845 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.312 11.956 5.787 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -6.204 9.032 6.645 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -5.844 10.300 7.799 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -8.057 11.313 7.496 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -8.411 10.271 6.133 1.00 0.00 H new ATOM 0 HE ARG A 120 -8.856 9.577 8.910 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -7.741 8.296 5.850 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -7.999 6.615 6.329 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -9.146 7.437 9.524 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -8.786 6.133 8.387 1.00 0.01 H new ATOM 1891 N ARG A 121 -4.324 11.067 2.999 1.00 0.00 N ATOM 1892 CA ARG A 121 -3.711 11.840 1.887 1.00 0.01 C ATOM 1893 C ARG A 121 -4.188 11.272 0.551 1.00 0.01 C ATOM 1894 O ARG A 121 -4.449 12.000 -0.379 1.00 0.01 O ATOM 1895 CB ARG A 121 -2.183 11.739 1.965 1.00 0.01 C ATOM 1896 CG ARG A 121 -1.644 12.614 3.114 1.00 0.00 C ATOM 1897 CD ARG A 121 -1.377 14.052 2.621 1.00 0.00 C ATOM 1898 NE ARG A 121 -2.232 14.357 1.439 1.00 0.01 N ATOM 1899 CZ ARG A 121 -2.386 15.595 1.051 1.00 0.01 C ATOM 1900 NH1 ARG A 121 -1.807 16.558 1.713 1.00 0.00 N ATOM 1901 NH2 ARG A 121 -3.120 15.870 0.008 1.00 0.01 N ATOM 0 H ARG A 121 -3.677 10.479 3.525 1.00 0.00 H new ATOM 0 HA ARG A 121 -4.008 12.886 1.969 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.888 10.701 2.121 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.743 12.057 1.020 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -2.363 12.632 3.933 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.724 12.182 3.507 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -1.583 14.763 3.421 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -0.325 14.165 2.357 1.00 0.00 H new ATOM 0 HE ARG A 121 -2.696 13.601 0.934 1.00 0.01 H new ATOM 0 HH11 ARG A 121 -1.236 16.343 2.531 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -1.925 17.526 1.413 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -3.576 15.117 -0.508 1.00 0.01 H new ATOM 0 HH22 ARG A 121 -3.238 16.838 -0.292 1.00 0.01 H new ATOM 1915 N PHE A 122 -4.286 9.972 0.440 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.725 9.365 -0.848 1.00 0.01 C ATOM 1917 C PHE A 122 -6.064 9.974 -1.274 1.00 0.01 C ATOM 1918 O PHE A 122 -6.222 10.430 -2.387 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.879 7.839 -0.657 1.00 0.00 C ATOM 1920 CG PHE A 122 -4.293 7.099 -1.830 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -5.080 6.794 -2.944 1.00 0.00 C ATOM 1922 CD2 PHE A 122 -2.954 6.719 -1.793 1.00 0.01 C ATOM 1923 CE1 PHE A 122 -4.518 6.106 -4.024 1.00 0.00 C ATOM 1924 CE2 PHE A 122 -2.392 6.033 -2.868 1.00 0.01 C ATOM 1925 CZ PHE A 122 -3.173 5.723 -3.988 1.00 0.00 C ATOM 0 H PHE A 122 -4.081 9.307 1.186 1.00 0.01 H new ATOM 0 HA PHE A 122 -3.984 9.564 -1.622 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -4.381 7.529 0.262 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.933 7.585 -0.549 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -6.119 7.089 -2.971 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -2.350 6.956 -0.930 1.00 0.01 H new ATOM 0 HE1 PHE A 122 -5.123 5.870 -4.887 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -1.353 5.740 -2.837 1.00 0.01 H new ATOM 0 HZ PHE A 122 -2.739 5.190 -4.821 1.00 0.00 H new ATOM 1935 N LEU A 123 -7.025 9.980 -0.396 1.00 0.00 N ATOM 1936 CA LEU A 123 -8.352 10.552 -0.745 1.00 0.00 C ATOM 1937 C LEU A 123 -8.176 12.028 -1.110 1.00 0.01 C ATOM 1938 O LEU A 123 -8.807 12.534 -2.017 1.00 0.00 O ATOM 1939 CB LEU A 123 -9.291 10.437 0.456 1.00 0.00 C ATOM 1940 CG LEU A 123 -9.459 8.961 0.845 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -10.353 8.869 2.087 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -10.094 8.169 -0.313 1.00 0.01 C ATOM 0 H LEU A 123 -6.948 9.612 0.552 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.777 10.008 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.890 11.001 1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -10.261 10.872 0.214 1.00 0.00 H new ATOM 0 HG LEU A 123 -8.480 8.533 1.061 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -10.477 7.824 2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.890 9.415 2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.328 9.303 1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -10.206 7.125 -0.021 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -11.073 8.588 -0.546 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.453 8.233 -1.192 1.00 0.01 H new ATOM 1954 N LYS A 124 -7.336 12.727 -0.393 1.00 0.01 N ATOM 1955 CA LYS A 124 -7.124 14.178 -0.681 1.00 0.01 C ATOM 1956 C LYS A 124 -6.026 14.351 -1.738 1.00 0.01 C ATOM 1957 O LYS A 124 -5.743 15.451 -2.169 1.00 0.01 O ATOM 1958 CB LYS A 124 -6.699 14.890 0.607 1.00 0.01 C ATOM 1959 CG LYS A 124 -7.857 14.878 1.608 1.00 0.01 C ATOM 1960 CD LYS A 124 -7.424 15.592 2.893 1.00 0.01 C ATOM 1961 CE LYS A 124 -8.572 15.584 3.907 1.00 0.01 C ATOM 1962 NZ LYS A 124 -8.987 14.177 4.177 1.00 0.01 N ATOM 0 H LYS A 124 -6.786 12.356 0.382 1.00 0.01 H new ATOM 0 HA LYS A 124 -8.053 14.607 -1.057 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -5.828 14.395 1.037 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -6.406 15.917 0.387 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -8.728 15.373 1.179 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -8.150 13.852 1.830 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -6.550 15.098 3.317 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -7.133 16.618 2.669 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -8.257 16.066 4.833 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -9.416 16.156 3.521 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -9.518 14.137 5.070 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -9.590 13.838 3.400 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -8.143 13.574 4.249 1.00 0.01 H new ATOM 1976 N SER A 125 -5.394 13.281 -2.151 1.00 0.00 N ATOM 1977 CA SER A 125 -4.302 13.401 -3.169 1.00 0.01 C ATOM 1978 C SER A 125 -4.888 13.404 -4.583 1.00 0.01 C ATOM 1979 O SER A 125 -6.037 13.088 -4.793 1.00 0.01 O ATOM 1980 CB SER A 125 -3.337 12.228 -3.032 1.00 0.01 C ATOM 1981 OG SER A 125 -2.347 12.315 -4.046 1.00 0.01 O ATOM 0 H SER A 125 -5.585 12.332 -1.829 1.00 0.00 H new ATOM 0 HA SER A 125 -3.772 14.338 -2.998 1.00 0.01 H new ATOM 0 HB2 SER A 125 -2.868 12.241 -2.048 1.00 0.01 H new ATOM 0 HB3 SER A 125 -3.878 11.285 -3.115 1.00 0.01 H new ATOM 0 HG SER A 125 -1.638 11.663 -3.867 1.00 0.01 H new ATOM 1987 N ARG A 126 -4.097 13.764 -5.553 1.00 0.01 N ATOM 1988 CA ARG A 126 -4.593 13.802 -6.958 1.00 0.01 C ATOM 1989 C ARG A 126 -4.941 12.393 -7.454 1.00 0.00 C ATOM 1990 O ARG A 126 -5.784 12.230 -8.313 1.00 0.00 O ATOM 1991 CB ARG A 126 -3.509 14.398 -7.858 1.00 0.01 C ATOM 1992 CG ARG A 126 -2.267 13.504 -7.831 1.00 0.01 C ATOM 1993 CD ARG A 126 -1.115 14.220 -8.538 1.00 0.01 C ATOM 1994 NE ARG A 126 0.020 13.271 -8.726 1.00 0.00 N ATOM 1995 CZ ARG A 126 1.007 13.575 -9.526 1.00 0.01 C ATOM 1996 NH1 ARG A 126 1.026 14.732 -10.133 1.00 0.01 N ATOM 1997 NH2 ARG A 126 1.981 12.726 -9.712 1.00 0.01 N ATOM 0 H ARG A 126 -3.121 14.036 -5.433 1.00 0.01 H new ATOM 0 HA ARG A 126 -5.494 14.415 -6.992 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -3.880 14.490 -8.879 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -3.254 15.402 -7.520 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -1.991 13.275 -6.801 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -2.477 12.554 -8.323 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -1.448 14.601 -9.503 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -0.791 15.079 -7.950 1.00 0.01 H new ATOM 0 HE ARG A 126 0.026 12.381 -8.228 1.00 0.00 H new ATOM 0 HH11 ARG A 126 0.269 15.399 -9.982 1.00 0.01 H new ATOM 0 HH12 ARG A 126 1.797 14.968 -10.757 1.00 0.01 H new ATOM 0 HH21 ARG A 126 1.971 11.826 -9.233 1.00 0.01 H new ATOM 0 HH22 ARG A 126 2.752 12.963 -10.337 1.00 0.01 H new ATOM 2011 N PHE A 127 -4.302 11.376 -6.942 1.00 0.01 N ATOM 2012 CA PHE A 127 -4.611 9.998 -7.428 1.00 0.01 C ATOM 2013 C PHE A 127 -6.081 9.672 -7.177 1.00 0.01 C ATOM 2014 O PHE A 127 -6.788 9.240 -8.067 1.00 0.00 O ATOM 2015 CB PHE A 127 -3.755 8.975 -6.679 1.00 0.01 C ATOM 2016 CG PHE A 127 -2.310 9.123 -7.082 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -1.824 8.436 -8.200 1.00 0.01 C ATOM 2018 CD2 PHE A 127 -1.459 9.953 -6.344 1.00 0.00 C ATOM 2019 CE1 PHE A 127 -0.483 8.575 -8.578 1.00 0.01 C ATOM 2020 CE2 PHE A 127 -0.118 10.094 -6.722 1.00 0.00 C ATOM 2021 CZ PHE A 127 0.370 9.404 -7.838 1.00 0.00 C ATOM 0 H PHE A 127 -3.587 11.436 -6.217 1.00 0.01 H new ATOM 0 HA PHE A 127 -4.397 9.954 -8.496 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -3.858 9.119 -5.604 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -4.102 7.966 -6.900 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -2.483 7.799 -8.771 1.00 0.01 H new ATOM 0 HD2 PHE A 127 -1.836 10.485 -5.483 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.107 8.043 -9.439 1.00 0.01 H new ATOM 0 HE2 PHE A 127 0.539 10.735 -6.153 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.405 9.511 -8.129 1.00 0.00 H new ATOM 2031 N TYR A 128 -6.547 9.865 -5.976 1.00 0.01 N ATOM 2032 CA TYR A 128 -7.971 9.553 -5.680 1.00 0.01 C ATOM 2033 C TYR A 128 -8.877 10.597 -6.325 1.00 0.01 C ATOM 2034 O TYR A 128 -9.896 10.277 -6.890 1.00 0.00 O ATOM 2035 CB TYR A 128 -8.190 9.541 -4.165 1.00 0.00 C ATOM 2036 CG TYR A 128 -9.575 9.017 -3.853 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -9.848 7.647 -3.966 1.00 0.01 C ATOM 2038 CD2 TYR A 128 -10.583 9.900 -3.448 1.00 0.00 C ATOM 2039 CE1 TYR A 128 -11.129 7.163 -3.676 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -11.864 9.415 -3.154 1.00 0.01 C ATOM 2041 CZ TYR A 128 -12.136 8.046 -3.269 1.00 0.01 C ATOM 2042 OH TYR A 128 -13.400 7.570 -2.983 1.00 0.01 O ATOM 0 H TYR A 128 -6.006 10.224 -5.189 1.00 0.01 H new ATOM 0 HA TYR A 128 -8.215 8.572 -6.087 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -7.438 8.916 -3.684 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -8.073 10.547 -3.763 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -9.070 6.965 -4.277 1.00 0.01 H new ATOM 0 HD2 TYR A 128 -10.373 10.956 -3.362 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -11.341 6.108 -3.766 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -12.641 10.096 -2.839 1.00 0.01 H new ATOM 0 HH TYR A 128 -13.977 8.315 -2.715 1.00 0.01 H new ATOM 2052 N LEU A 129 -8.521 11.845 -6.246 1.00 0.01 N ATOM 2053 CA LEU A 129 -9.385 12.892 -6.858 1.00 0.01 C ATOM 2054 C LEU A 129 -9.468 12.674 -8.372 1.00 0.01 C ATOM 2055 O LEU A 129 -10.540 12.617 -8.942 1.00 0.01 O ATOM 2056 CB LEU A 129 -8.779 14.269 -6.592 1.00 0.01 C ATOM 2057 CG LEU A 129 -8.662 14.512 -5.080 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -7.715 15.695 -4.844 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -10.045 14.813 -4.465 1.00 0.01 C ATOM 0 H LEU A 129 -7.676 12.186 -5.788 1.00 0.01 H new ATOM 0 HA LEU A 129 -10.382 12.832 -6.422 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -7.795 14.338 -7.056 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -9.400 15.042 -7.045 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.268 13.616 -4.601 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -7.622 15.879 -3.774 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -6.734 15.464 -5.259 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -8.115 16.584 -5.332 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -9.938 14.982 -3.393 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -10.465 15.704 -4.932 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -10.710 13.966 -4.634 1.00 0.01 H new ATOM 2071 N ASP A 130 -8.345 12.559 -9.030 1.00 0.56 N ATOM 2072 CA ASP A 130 -8.368 12.354 -10.504 1.00 0.91 C ATOM 2073 C ASP A 130 -9.109 11.060 -10.835 1.00 1.05 C ATOM 2074 O ASP A 130 -10.015 11.040 -11.645 1.00 1.91 O ATOM 2075 CB ASP A 130 -6.936 12.252 -11.022 1.00 2.23 C ATOM 2076 CG ASP A 130 -6.249 13.612 -10.901 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -6.953 14.602 -10.785 1.00 3.36 O ATOM 2078 OD2 ASP A 130 -5.030 13.640 -10.930 1.00 3.77 O ATOM 0 H ASP A 130 -7.416 12.598 -8.610 1.00 0.56 H new ATOM 0 HA ASP A 130 -8.876 13.196 -10.975 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -6.385 11.503 -10.453 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -6.937 11.925 -12.062 1.00 2.23 H new ATOM 2083 N LEU A 131 -8.730 9.976 -10.213 1.00 1.16 N ATOM 2084 CA LEU A 131 -9.413 8.685 -10.495 1.00 1.68 C ATOM 2085 C LEU A 131 -10.832 8.729 -9.918 1.00 2.00 C ATOM 2086 O LEU A 131 -11.777 8.283 -10.536 1.00 2.21 O ATOM 2087 CB LEU A 131 -8.631 7.534 -9.851 1.00 2.07 C ATOM 2088 CG LEU A 131 -7.219 7.446 -10.446 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -6.447 6.343 -9.715 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -7.295 7.122 -11.952 1.00 3.54 C ATOM 0 H LEU A 131 -7.979 9.930 -9.524 1.00 1.16 H new ATOM 0 HA LEU A 131 -9.460 8.526 -11.572 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -8.569 7.686 -8.773 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -9.159 6.594 -10.010 1.00 2.07 H new ATOM 0 HG LEU A 131 -6.709 8.402 -10.324 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -5.441 6.269 -10.127 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -6.387 6.583 -8.653 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -6.963 5.391 -9.843 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -6.287 7.062 -12.363 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -7.802 6.167 -12.094 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -7.850 7.907 -12.466 1.00 3.54 H new ATOM 2102 N THR A 132 -10.981 9.285 -8.739 1.00 2.68 N ATOM 2103 CA THR A 132 -12.324 9.396 -8.095 1.00 3.30 C ATOM 2104 C THR A 132 -12.627 10.878 -7.863 1.00 3.72 C ATOM 2105 O THR A 132 -12.410 11.408 -6.793 1.00 3.94 O ATOM 2106 CB THR A 132 -12.328 8.658 -6.743 1.00 3.80 C ATOM 2107 OG1 THR A 132 -11.764 9.489 -5.745 1.00 4.04 O ATOM 2108 CG2 THR A 132 -11.498 7.370 -6.827 1.00 4.63 C ATOM 0 H THR A 132 -10.214 9.672 -8.189 1.00 2.68 H new ATOM 0 HA THR A 132 -13.079 8.948 -8.741 1.00 3.30 H new ATOM 0 HB THR A 132 -13.360 8.410 -6.494 1.00 3.80 H new ATOM 0 HG1 THR A 132 -11.324 8.934 -5.067 1.00 4.04 H new ATOM 0 HG21 THR A 132 -11.513 6.864 -5.862 1.00 4.63 H new ATOM 0 HG22 THR A 132 -11.921 6.714 -7.588 1.00 4.63 H new ATOM 0 HG23 THR A 132 -10.470 7.616 -7.091 1.00 4.63 H new ATOM 2116 N ASN A 133 -13.116 11.564 -8.848 1.00 4.23 N ATOM 2117 CA ASN A 133 -13.407 13.013 -8.649 1.00 4.82 C ATOM 2118 C ASN A 133 -14.733 13.146 -7.854 1.00 5.34 C ATOM 2119 O ASN A 133 -15.588 12.287 -7.940 1.00 5.43 O ATOM 2120 CB ASN A 133 -13.526 13.695 -10.020 1.00 5.42 C ATOM 2121 CG ASN A 133 -12.129 13.961 -10.590 1.00 5.90 C ATOM 2122 OD1 ASN A 133 -11.723 13.335 -11.548 1.00 6.06 O ATOM 2123 ND2 ASN A 133 -11.373 14.873 -10.042 1.00 6.48 N ATOM 0 H ASN A 133 -13.327 11.195 -9.775 1.00 4.23 H new ATOM 0 HA ASN A 133 -12.605 13.494 -8.090 1.00 4.82 H new ATOM 0 HB2 ASN A 133 -14.093 13.063 -10.703 1.00 5.42 H new ATOM 0 HB3 ASN A 133 -14.074 14.632 -9.924 1.00 5.42 H new ATOM 0 HD21 ASN A 133 -10.443 15.059 -10.419 1.00 6.48 H new ATOM 0 HD22 ASN A 133 -11.712 15.400 -9.237 1.00 6.48 H new TER 2130 ASN A 133