USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=42 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 49 CYS SG : rot 145:sc= -4.19! USER MOD Set 1.2: A 53 LYS NZ :NH3+ 144:sc= -6.53! (180deg=-1.71) USER MOD Set 1.3: A 107 GLN : amide:sc= -1.88 K(o=-13,f=-8.9) USER MOD Set 2.1: A 99 THR OG1 : rot 124:sc= 0.297 USER MOD Set 2.2: A 101 THR OG1 : rot 180:sc= 0.278 USER MOD Set 3.1: A 39 SER OG : rot -23:sc= -3.91! USER MOD Set 3.2: A 42 ASN : amide:sc= -6.16! C(o=-13!,f=-19!) USER MOD Set 3.3: A 82 ASN : amide:sc= -3.01 K(o=-13,f=-14!) USER MOD Set 4.1: A 16 SER OG : rot -59:sc= -0.233 USER MOD Set 4.2: A 19 ASN : amide:sc= -0.853 K(o=-1.1,f=-2.3) USER MOD Single : A 6 SER OG : rot 180:sc= -0.0369 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 139:sc= -1.73 (180deg=-3.05!) USER MOD Single : A 12 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0572) USER MOD Single : A 22 ASN : amide:sc= -3.88! C(o=-3.9!,f=-4.7!) USER MOD Single : A 23 HIS : no HD1:sc= -5.07! C(o=-5.1!,f=-11!) USER MOD Single : A 25 CYS SG : rot 180:sc= -3.16! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -158:sc= -0.0599 (180deg=-0.526) 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 48 SER OG : rot -43:sc= 0.391 USER MOD Single : A 52 TYR OH : rot 8:sc= 0.658 USER MOD Single : A 54 LYS NZ :NH3+ -158:sc= -0.0783 (180deg=-0.583) USER MOD Single : A 56 LYS NZ :NH3+ 159:sc= -0.111 (180deg=-0.653) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -1.26 USER MOD Single : A 64 LYS NZ :NH3+ 152:sc= -2.63 (180deg=-5.53!) USER MOD Single : A 66 LYS NZ :NH3+ -161:sc= -0.208 (180deg=-0.994) USER MOD Single : A 67 LYS NZ :NH3+ -159:sc= -0.0758 (180deg=-0.553) USER MOD Single : A 69 TYR OH : rot 150:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.282 K(o=-0.28,f=-1.9!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0134 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -170:sc= 0.0827 (180deg=0.067) 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 87 THR OG1 : rot 180:sc=-0.00351 USER MOD Single : A 91 THR OG1 : rot -70:sc= -0.636 USER MOD Single : A 92 SER OG : rot -31:sc= 0.706 USER MOD Single : A 94 ASN : amide:sc= -0.917 K(o=-0.92,f=-1.9!) USER MOD Single : A 95 MET CE :methyl -179:sc= -3.46 (180deg=-3.53) USER MOD Single : A 102 CYS SG : rot -110:sc= -0.3 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -163:sc= -0.0266 (180deg=-0.472) USER MOD Single : A 112 ASN : amide:sc=-0.00574 K(o=-0.0057,f=-0.81) USER MOD Single : A 114 MET CE :methyl 162:sc= -1.8 (180deg=-2.41) USER MOD Single : A 116 LYS NZ :NH3+ -155:sc= -0.225 (180deg=-1.2) USER MOD Single : A 118 SER OG : rot -44:sc= -0.532 USER MOD Single : A 119 TYR OH : rot -146:sc= -3.78! USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot -47:sc= -1.33 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot -155:sc= 1.05! USER MOD Single : A 133 ASN : amide:sc= -1.02! C(o=-1!,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 5 -7.563 1.841 -13.108 1.00 17.32 N ATOM 2 CA VAL A 5 -8.193 1.391 -11.825 1.00 16.53 C ATOM 3 C VAL A 5 -9.712 1.549 -11.929 1.00 15.62 C ATOM 4 O VAL A 5 -10.216 2.606 -12.246 1.00 15.21 O ATOM 5 CB VAL A 5 -7.679 2.260 -10.674 1.00 17.91 C ATOM 6 CG1 VAL A 5 -8.260 1.747 -9.359 1.00 18.70 C ATOM 7 CG2 VAL A 5 -6.147 2.198 -10.612 1.00 17.86 C ATOM 0 HA VAL A 5 -7.939 0.347 -11.640 1.00 16.53 H new ATOM 0 HB VAL A 5 -7.987 3.292 -10.838 1.00 17.91 H new ATOM 0 HG11 VAL A 5 -7.897 2.363 -8.536 1.00 18.70 H new ATOM 0 HG12 VAL A 5 -9.348 1.798 -9.398 1.00 18.70 H new ATOM 0 HG13 VAL A 5 -7.950 0.714 -9.203 1.00 18.70 H new ATOM 0 HG21 VAL A 5 -5.791 2.819 -9.790 1.00 17.86 H new ATOM 0 HG22 VAL A 5 -5.831 1.167 -10.451 1.00 17.86 H new ATOM 0 HG23 VAL A 5 -5.730 2.563 -11.550 1.00 17.86 H new ATOM 17 N SER A 6 -10.447 0.504 -11.658 1.00 15.43 N ATOM 18 CA SER A 6 -11.931 0.596 -11.739 1.00 14.66 C ATOM 19 C SER A 6 -12.456 1.379 -10.537 1.00 13.40 C ATOM 20 O SER A 6 -11.797 1.496 -9.524 1.00 12.58 O ATOM 21 CB SER A 6 -12.523 -0.810 -11.719 1.00 15.49 C ATOM 22 OG SER A 6 -12.198 -1.430 -10.483 1.00 15.97 O ATOM 0 H SER A 6 -10.083 -0.409 -11.384 1.00 15.43 H new ATOM 0 HA SER A 6 -12.217 1.104 -12.660 1.00 14.66 H new ATOM 0 HB2 SER A 6 -13.605 -0.765 -11.845 1.00 15.49 H new ATOM 0 HB3 SER A 6 -12.130 -1.396 -12.549 1.00 15.49 H new ATOM 0 HG SER A 6 -12.576 -2.334 -10.461 1.00 15.97 H new ATOM 28 N GLN A 7 -13.643 1.913 -10.637 1.00 13.37 N ATOM 29 CA GLN A 7 -14.211 2.680 -9.496 1.00 12.23 C ATOM 30 C GLN A 7 -14.562 1.710 -8.370 1.00 11.36 C ATOM 31 O GLN A 7 -14.687 2.080 -7.225 1.00 10.97 O ATOM 32 CB GLN A 7 -15.464 3.425 -9.953 1.00 13.19 C ATOM 33 CG GLN A 7 -15.059 4.514 -10.945 1.00 13.36 C ATOM 34 CD GLN A 7 -16.302 5.271 -11.412 1.00 13.61 C ATOM 35 OE1 GLN A 7 -16.778 6.161 -10.734 1.00 13.82 O ATOM 36 NE2 GLN A 7 -16.851 4.955 -12.552 1.00 13.77 N ATOM 0 H GLN A 7 -14.242 1.850 -11.460 1.00 13.37 H new ATOM 0 HA GLN A 7 -13.481 3.405 -9.137 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -16.165 2.733 -10.419 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -15.974 3.866 -9.096 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -14.356 5.203 -10.477 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -14.549 4.070 -11.800 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -16.452 4.208 -13.121 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -17.680 5.454 -12.875 1.00 13.77 H new ATOM 45 N GLU A 8 -14.723 0.463 -8.687 1.00 13.01 N ATOM 46 CA GLU A 8 -15.057 -0.522 -7.630 1.00 12.24 C ATOM 47 C GLU A 8 -13.871 -0.633 -6.668 1.00 11.73 C ATOM 48 O GLU A 8 -14.036 -0.801 -5.481 1.00 11.71 O ATOM 49 CB GLU A 8 -15.331 -1.887 -8.268 1.00 13.27 C ATOM 50 CG GLU A 8 -16.631 -1.824 -9.072 1.00 13.55 C ATOM 51 CD GLU A 8 -16.895 -3.182 -9.725 1.00 14.55 C ATOM 52 OE1 GLU A 8 -16.026 -4.035 -9.645 1.00 14.92 O ATOM 53 OE2 GLU A 8 -17.960 -3.345 -10.299 1.00 15.06 O ATOM 0 H GLU A 8 -14.638 0.082 -9.630 1.00 13.01 H new ATOM 0 HA GLU A 8 -15.945 -0.198 -7.088 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -14.503 -2.169 -8.918 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -15.406 -2.653 -7.496 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -17.462 -1.555 -8.419 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -16.561 -1.049 -9.835 1.00 13.55 H new ATOM 60 N GLU A 9 -12.673 -0.568 -7.184 1.00 11.46 N ATOM 61 CA GLU A 9 -11.468 -0.699 -6.313 1.00 11.12 C ATOM 62 C GLU A 9 -11.177 0.590 -5.520 1.00 10.28 C ATOM 63 O GLU A 9 -10.845 0.533 -4.352 1.00 10.32 O ATOM 64 CB GLU A 9 -10.259 -1.019 -7.189 1.00 12.40 C ATOM 65 CG GLU A 9 -10.444 -2.393 -7.839 1.00 13.24 C ATOM 66 CD GLU A 9 -10.331 -3.482 -6.769 1.00 14.08 C ATOM 67 OE1 GLU A 9 -9.768 -3.200 -5.724 1.00 14.26 O ATOM 68 OE2 GLU A 9 -10.808 -4.578 -7.013 1.00 14.68 O ATOM 0 H GLU A 9 -12.476 -0.429 -8.175 1.00 11.46 H new ATOM 0 HA GLU A 9 -11.661 -1.497 -5.596 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -10.142 -0.255 -7.957 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -9.349 -1.009 -6.588 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -11.417 -2.448 -8.328 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -9.690 -2.547 -8.611 1.00 13.24 H new ATOM 75 N VAL A 10 -11.260 1.745 -6.136 1.00 9.75 N ATOM 76 CA VAL A 10 -10.941 3.009 -5.390 1.00 9.10 C ATOM 77 C VAL A 10 -11.877 3.175 -4.192 1.00 7.91 C ATOM 78 O VAL A 10 -11.456 3.536 -3.115 1.00 7.70 O ATOM 79 CB VAL A 10 -11.072 4.226 -6.317 1.00 10.81 C ATOM 80 CG1 VAL A 10 -10.331 3.947 -7.622 1.00 11.69 C ATOM 81 CG2 VAL A 10 -12.548 4.497 -6.619 1.00 11.17 C ATOM 0 H VAL A 10 -11.531 1.870 -7.111 1.00 9.75 H new ATOM 0 HA VAL A 10 -9.914 2.942 -5.032 1.00 9.10 H new ATOM 0 HB VAL A 10 -10.642 5.099 -5.826 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -10.422 4.809 -8.283 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -9.278 3.761 -7.410 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -10.764 3.071 -8.106 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -12.632 5.362 -7.277 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -12.985 3.626 -7.107 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -13.079 4.696 -5.688 1.00 11.17 H new ATOM 91 N LYS A 11 -13.139 2.918 -4.363 1.00 7.38 N ATOM 92 CA LYS A 11 -14.073 3.068 -3.215 1.00 6.32 C ATOM 93 C LYS A 11 -13.619 2.123 -2.110 1.00 5.68 C ATOM 94 O LYS A 11 -13.629 2.464 -0.947 1.00 5.93 O ATOM 95 CB LYS A 11 -15.500 2.723 -3.651 1.00 8.26 C ATOM 96 CG LYS A 11 -15.969 3.654 -4.790 1.00 8.64 C ATOM 97 CD LYS A 11 -16.176 5.107 -4.310 1.00 9.23 C ATOM 98 CE LYS A 11 -17.172 5.163 -3.138 1.00 9.91 C ATOM 99 NZ LYS A 11 -16.437 4.994 -1.852 1.00 10.51 N ATOM 0 H LYS A 11 -13.564 2.613 -5.239 1.00 7.38 H new ATOM 0 HA LYS A 11 -14.067 4.097 -2.855 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.542 1.686 -3.983 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -16.176 2.813 -2.801 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -15.233 3.640 -5.594 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -16.902 3.274 -5.206 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -15.221 5.531 -4.001 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -16.544 5.717 -5.135 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -17.703 6.115 -3.143 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -17.922 4.379 -3.246 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -16.823 5.650 -1.143 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -16.547 4.016 -1.515 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -15.428 5.198 -2.000 1.00 10.51 H new ATOM 113 N LYS A 12 -13.201 0.945 -2.470 1.00 5.08 N ATOM 114 CA LYS A 12 -12.720 -0.023 -1.447 1.00 4.72 C ATOM 115 C LYS A 12 -11.465 0.538 -0.780 1.00 4.34 C ATOM 116 O LYS A 12 -11.206 0.288 0.382 1.00 4.65 O ATOM 117 CB LYS A 12 -12.393 -1.353 -2.121 1.00 6.91 C ATOM 118 CG LYS A 12 -13.685 -2.026 -2.580 1.00 7.86 C ATOM 119 CD LYS A 12 -13.349 -3.356 -3.253 1.00 8.86 C ATOM 120 CE LYS A 12 -14.639 -4.037 -3.716 1.00 9.89 C ATOM 121 NZ LYS A 12 -15.336 -4.626 -2.540 1.00 10.82 N ATOM 0 H LYS A 12 -13.171 0.608 -3.432 1.00 5.08 H new ATOM 0 HA LYS A 12 -13.493 -0.182 -0.695 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -11.734 -1.188 -2.974 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.859 -2.002 -1.427 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -14.345 -2.192 -1.728 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -14.219 -1.378 -3.275 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -12.689 -3.188 -4.104 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -12.814 -4.002 -2.557 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -15.287 -3.315 -4.212 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -14.411 -4.815 -4.445 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -16.128 -5.217 -2.866 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -14.668 -5.210 -1.997 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -15.700 -3.863 -1.934 1.00 10.82 H new ATOM 135 N TRP A 13 -10.681 1.300 -1.494 1.00 4.15 N ATOM 136 CA TRP A 13 -9.454 1.869 -0.872 1.00 3.58 C ATOM 137 C TRP A 13 -9.868 2.726 0.317 1.00 2.38 C ATOM 138 O TRP A 13 -9.175 2.813 1.299 1.00 2.83 O ATOM 139 CB TRP A 13 -8.700 2.760 -1.862 1.00 4.70 C ATOM 140 CG TRP A 13 -8.245 1.980 -3.057 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.454 0.659 -3.269 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.498 2.464 -4.211 1.00 5.21 C ATOM 143 NE1 TRP A 13 -7.880 0.306 -4.478 1.00 5.86 N ATOM 144 CE2 TRP A 13 -7.279 1.386 -5.094 1.00 5.70 C ATOM 145 CE3 TRP A 13 -6.992 3.729 -4.566 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -6.585 1.555 -6.292 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -6.293 3.900 -5.771 1.00 5.91 C ATOM 148 CH2 TRP A 13 -6.088 2.815 -6.632 1.00 6.26 C ATOM 0 H TRP A 13 -10.835 1.550 -2.471 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.805 1.048 -0.566 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -9.345 3.578 -2.183 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.838 3.209 -1.368 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -8.982 -0.009 -2.604 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -7.899 -0.637 -4.867 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -7.142 4.572 -3.908 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -6.433 0.715 -6.954 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -5.911 4.875 -6.036 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -5.547 2.952 -7.557 1.00 6.26 H new ATOM 159 N ALA A 14 -10.995 3.369 0.235 1.00 0.01 N ATOM 160 CA ALA A 14 -11.436 4.225 1.368 1.00 0.01 C ATOM 161 C ALA A 14 -12.046 3.344 2.462 1.00 0.01 C ATOM 162 O ALA A 14 -12.336 3.802 3.549 1.00 0.01 O ATOM 163 CB ALA A 14 -12.485 5.219 0.874 1.00 0.00 C ATOM 0 H ALA A 14 -11.629 3.340 -0.564 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.581 4.768 1.770 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -12.810 5.848 1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.054 5.844 0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.341 4.676 0.474 1.00 0.00 H new ATOM 169 N GLU A 15 -12.254 2.083 2.180 1.00 0.01 N ATOM 170 CA GLU A 15 -12.861 1.172 3.200 1.00 0.01 C ATOM 171 C GLU A 15 -11.781 0.549 4.098 1.00 0.01 C ATOM 172 O GLU A 15 -11.994 0.344 5.276 1.00 0.01 O ATOM 173 CB GLU A 15 -13.616 0.055 2.484 1.00 0.01 C ATOM 174 CG GLU A 15 -14.760 0.663 1.674 1.00 0.01 C ATOM 175 CD GLU A 15 -15.526 -0.444 0.951 1.00 0.01 C ATOM 176 OE1 GLU A 15 -15.064 -1.573 0.980 1.00 0.01 O ATOM 177 OE2 GLU A 15 -16.557 -0.143 0.374 1.00 0.01 O ATOM 0 H GLU A 15 -12.030 1.644 1.287 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.538 1.755 3.825 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -12.941 -0.494 1.827 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -14.007 -0.659 3.209 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -15.432 1.213 2.333 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -14.367 1.378 0.951 1.00 0.01 H new ATOM 184 N SER A 16 -10.630 0.230 3.561 1.00 0.01 N ATOM 185 CA SER A 16 -9.572 -0.395 4.417 1.00 0.01 C ATOM 186 C SER A 16 -8.242 -0.491 3.660 1.00 0.00 C ATOM 187 O SER A 16 -8.204 -0.656 2.458 1.00 0.00 O ATOM 188 CB SER A 16 -10.018 -1.801 4.822 1.00 0.01 C ATOM 189 OG SER A 16 -10.344 -2.548 3.657 1.00 0.01 O ATOM 0 H SER A 16 -10.378 0.372 2.583 1.00 0.01 H new ATOM 0 HA SER A 16 -9.428 0.228 5.300 1.00 0.01 H new ATOM 0 HB2 SER A 16 -9.224 -2.300 5.377 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.882 -1.744 5.484 1.00 0.01 H new ATOM 0 HG SER A 16 -11.055 -2.090 3.163 1.00 0.01 H new ATOM 195 N LEU A 17 -7.148 -0.395 4.378 1.00 0.00 N ATOM 196 CA LEU A 17 -5.798 -0.476 3.744 1.00 0.00 C ATOM 197 C LEU A 17 -5.635 -1.817 3.028 1.00 0.01 C ATOM 198 O LEU A 17 -5.059 -1.895 1.963 1.00 0.00 O ATOM 199 CB LEU A 17 -4.722 -0.334 4.835 1.00 0.01 C ATOM 200 CG LEU A 17 -3.319 -0.590 4.251 1.00 0.00 C ATOM 201 CD1 LEU A 17 -3.084 0.329 3.044 1.00 0.01 C ATOM 202 CD2 LEU A 17 -2.236 -0.332 5.327 1.00 0.00 C ATOM 0 H LEU A 17 -7.136 -0.262 5.389 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.690 0.326 3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.765 0.666 5.267 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.920 -1.039 5.642 1.00 0.01 H new ATOM 0 HG LEU A 17 -3.254 -1.630 3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.091 0.145 2.634 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.835 0.126 2.280 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -3.159 1.370 3.359 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -1.249 -0.516 4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.298 0.702 5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.397 -1.000 6.173 1.00 0.00 H new ATOM 214 N GLU A 18 -6.118 -2.871 3.617 1.00 0.01 N ATOM 215 CA GLU A 18 -5.971 -4.217 2.995 1.00 0.00 C ATOM 216 C GLU A 18 -6.444 -4.194 1.536 1.00 0.00 C ATOM 217 O GLU A 18 -5.815 -4.761 0.668 1.00 0.01 O ATOM 218 CB GLU A 18 -6.831 -5.208 3.782 1.00 0.01 C ATOM 219 CG GLU A 18 -6.231 -5.418 5.175 1.00 0.01 C ATOM 220 CD GLU A 18 -7.099 -6.410 5.951 1.00 0.00 C ATOM 221 OE1 GLU A 18 -8.173 -6.729 5.469 1.00 0.01 O ATOM 222 OE2 GLU A 18 -6.678 -6.827 7.017 1.00 0.01 O ATOM 0 H GLU A 18 -6.612 -2.860 4.509 1.00 0.01 H new ATOM 0 HA GLU A 18 -4.921 -4.510 3.016 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.851 -4.832 3.867 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -6.885 -6.159 3.252 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -5.212 -5.795 5.092 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -6.177 -4.469 5.708 1.00 0.01 H new ATOM 229 N ASN A 19 -7.545 -3.563 1.256 1.00 0.01 N ATOM 230 CA ASN A 19 -8.049 -3.535 -0.152 1.00 0.00 C ATOM 231 C ASN A 19 -7.072 -2.793 -1.076 1.00 0.00 C ATOM 232 O ASN A 19 -6.807 -3.210 -2.191 1.00 0.01 O ATOM 233 CB ASN A 19 -9.395 -2.820 -0.181 1.00 0.01 C ATOM 234 CG ASN A 19 -10.448 -3.699 0.494 1.00 0.01 C ATOM 235 OD1 ASN A 19 -11.247 -3.221 1.273 1.00 0.01 O ATOM 236 ND2 ASN A 19 -10.479 -4.974 0.224 1.00 0.01 N ATOM 0 H ASN A 19 -8.121 -3.065 1.935 1.00 0.01 H new ATOM 0 HA ASN A 19 -8.148 -4.562 -0.505 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.322 -1.861 0.332 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -9.686 -2.609 -1.210 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -11.176 -5.572 0.668 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -9.807 -5.373 -0.431 1.00 0.01 H new ATOM 243 N LEU A 20 -6.546 -1.694 -0.626 1.00 0.00 N ATOM 244 CA LEU A 20 -5.603 -0.903 -1.471 1.00 0.01 C ATOM 245 C LEU A 20 -4.381 -1.755 -1.837 1.00 0.01 C ATOM 246 O LEU A 20 -3.975 -1.811 -2.983 1.00 0.00 O ATOM 247 CB LEU A 20 -5.179 0.332 -0.667 1.00 0.00 C ATOM 248 CG LEU A 20 -4.116 1.163 -1.402 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.706 1.770 -2.674 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.666 2.294 -0.476 1.00 0.01 C ATOM 0 H LEU A 20 -6.727 -1.302 0.298 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.085 -0.598 -2.400 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -6.053 0.954 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.788 0.017 0.300 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.275 0.524 -1.672 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -3.943 2.356 -3.185 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -5.052 0.972 -3.331 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.545 2.415 -2.414 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -2.910 2.897 -0.979 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.522 2.920 -0.224 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -3.245 1.872 0.436 1.00 0.01 H new ATOM 262 N ILE A 21 -3.789 -2.409 -0.880 1.00 0.01 N ATOM 263 CA ILE A 21 -2.588 -3.245 -1.174 1.00 0.00 C ATOM 264 C ILE A 21 -3.001 -4.564 -1.841 1.00 0.00 C ATOM 265 O ILE A 21 -2.174 -5.283 -2.366 1.00 0.00 O ATOM 266 CB ILE A 21 -1.848 -3.541 0.131 1.00 0.00 C ATOM 267 CG1 ILE A 21 -2.792 -4.261 1.102 1.00 0.00 C ATOM 268 CG2 ILE A 21 -1.379 -2.226 0.757 1.00 0.00 C ATOM 269 CD1 ILE A 21 -2.027 -4.660 2.362 1.00 0.01 C ATOM 0 H ILE A 21 -4.083 -2.403 0.097 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.935 -2.699 -1.855 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.986 -4.176 -0.074 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.627 -3.610 1.362 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.214 -5.146 0.625 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.851 -2.434 1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.709 -1.713 0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.242 -1.593 0.963 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.700 -5.171 3.050 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -1.207 -5.327 2.094 1.00 0.01 H new ATOM 0 HD13 ILE A 21 -1.627 -3.767 2.843 1.00 0.01 H new ATOM 281 N ASN A 22 -4.266 -4.904 -1.810 1.00 0.00 N ATOM 282 CA ASN A 22 -4.702 -6.194 -2.429 1.00 0.01 C ATOM 283 C ASN A 22 -4.968 -6.002 -3.920 1.00 0.01 C ATOM 284 O ASN A 22 -5.057 -6.959 -4.664 1.00 0.01 O ATOM 285 CB ASN A 22 -5.979 -6.687 -1.749 1.00 0.01 C ATOM 286 CG ASN A 22 -5.653 -7.160 -0.332 1.00 0.01 C ATOM 287 OD1 ASN A 22 -4.549 -7.591 -0.063 1.00 0.01 O ATOM 288 ND2 ASN A 22 -6.573 -7.096 0.591 1.00 0.01 N ATOM 0 H ASN A 22 -5.010 -4.349 -1.387 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.908 -6.930 -2.299 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -6.718 -5.886 -1.715 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -6.418 -7.502 -2.324 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -6.366 -7.408 1.540 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -7.499 -6.734 0.364 1.00 0.01 H new ATOM 295 N HIS A 23 -5.088 -4.785 -4.377 1.00 0.01 N ATOM 296 CA HIS A 23 -5.340 -4.567 -5.837 1.00 0.01 C ATOM 297 C HIS A 23 -4.000 -4.408 -6.564 1.00 0.01 C ATOM 298 O HIS A 23 -3.135 -3.668 -6.141 1.00 0.01 O ATOM 299 CB HIS A 23 -6.183 -3.308 -6.045 1.00 0.00 C ATOM 300 CG HIS A 23 -6.447 -3.133 -7.516 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.105 -4.103 -8.445 1.00 0.01 N ATOM 302 CD2 HIS A 23 -7.025 -2.115 -8.233 1.00 0.01 C ATOM 303 CE1 HIS A 23 -6.477 -3.654 -9.657 1.00 0.01 C ATOM 304 NE2 HIS A 23 -7.043 -2.447 -9.586 1.00 0.01 N ATOM 0 H HIS A 23 -5.024 -3.938 -3.812 1.00 0.01 H new ATOM 0 HA HIS A 23 -5.880 -5.425 -6.237 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -7.124 -3.391 -5.501 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.662 -2.436 -5.650 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -7.407 -1.197 -7.812 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -6.335 -4.203 -10.576 1.00 0.01 H new ATOM 0 HE2 HIS A 23 -7.410 -1.888 -10.356 1.00 0.01 H new ATOM 312 N GLU A 24 -3.824 -5.109 -7.654 1.00 0.01 N ATOM 313 CA GLU A 24 -2.541 -5.021 -8.416 1.00 0.01 C ATOM 314 C GLU A 24 -2.305 -3.586 -8.880 1.00 0.01 C ATOM 315 O GLU A 24 -1.193 -3.089 -8.857 1.00 0.01 O ATOM 316 CB GLU A 24 -2.606 -5.935 -9.638 1.00 0.01 C ATOM 317 CG GLU A 24 -1.290 -5.844 -10.416 1.00 0.01 C ATOM 318 CD GLU A 24 -1.280 -6.902 -11.517 1.00 0.01 C ATOM 319 OE1 GLU A 24 -2.228 -7.667 -11.583 1.00 0.00 O ATOM 320 OE2 GLU A 24 -0.327 -6.929 -12.278 1.00 0.01 O ATOM 0 H GLU A 24 -4.517 -5.742 -8.052 1.00 0.01 H new ATOM 0 HA GLU A 24 -1.723 -5.331 -7.765 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -2.786 -6.964 -9.326 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -3.440 -5.645 -10.278 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -1.179 -4.850 -10.850 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -0.446 -5.995 -9.743 1.00 0.01 H new ATOM 327 N CYS A 25 -3.331 -2.914 -9.307 1.00 0.01 N ATOM 328 CA CYS A 25 -3.145 -1.518 -9.779 1.00 0.01 C ATOM 329 C CYS A 25 -3.107 -0.599 -8.565 1.00 0.01 C ATOM 330 O CYS A 25 -2.404 0.392 -8.551 1.00 0.00 O ATOM 331 CB CYS A 25 -4.306 -1.140 -10.699 1.00 0.01 C ATOM 332 SG CYS A 25 -3.860 0.330 -11.659 1.00 0.00 S ATOM 0 H CYS A 25 -4.287 -3.268 -9.350 1.00 0.01 H new ATOM 0 HA CYS A 25 -2.213 -1.421 -10.335 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -4.538 -1.968 -11.368 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.202 -0.945 -10.110 1.00 0.01 H new ATOM 0 HG CYS A 25 -4.846 0.652 -12.443 1.00 0.00 H new ATOM 338 N GLY A 26 -3.824 -0.934 -7.527 1.00 0.01 N ATOM 339 CA GLY A 26 -3.776 -0.086 -6.307 1.00 0.01 C ATOM 340 C GLY A 26 -2.335 -0.073 -5.816 1.00 0.01 C ATOM 341 O GLY A 26 -1.793 0.957 -5.466 1.00 0.01 O ATOM 0 H GLY A 26 -4.434 -1.750 -7.472 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -4.114 0.926 -6.530 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -4.440 -0.482 -5.538 1.00 0.01 H new ATOM 345 N LEU A 27 -1.694 -1.214 -5.823 1.00 0.01 N ATOM 346 CA LEU A 27 -0.275 -1.256 -5.392 1.00 0.00 C ATOM 347 C LEU A 27 0.518 -0.344 -6.319 1.00 0.00 C ATOM 348 O LEU A 27 1.372 0.399 -5.890 1.00 0.00 O ATOM 349 CB LEU A 27 0.271 -2.689 -5.490 1.00 0.00 C ATOM 350 CG LEU A 27 -0.366 -3.581 -4.407 1.00 0.00 C ATOM 351 CD1 LEU A 27 -0.233 -5.052 -4.817 1.00 0.00 C ATOM 352 CD2 LEU A 27 0.357 -3.383 -3.066 1.00 0.01 C ATOM 0 H LEU A 27 -2.093 -2.109 -6.107 1.00 0.01 H new ATOM 0 HA LEU A 27 -0.188 -0.927 -4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.060 -3.099 -6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.355 -2.681 -5.373 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.416 -3.309 -4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.683 -5.685 -4.052 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.743 -5.212 -5.767 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.822 -5.306 -4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.102 -4.018 -2.308 1.00 0.01 H new ATOM 0 HD22 LEU A 27 1.408 -3.651 -3.176 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.278 -2.340 -2.761 1.00 0.01 H new ATOM 364 N ALA A 28 0.224 -0.375 -7.593 1.00 0.00 N ATOM 365 CA ALA A 28 0.960 0.509 -8.538 1.00 0.00 C ATOM 366 C ALA A 28 0.744 1.960 -8.118 1.00 0.01 C ATOM 367 O ALA A 28 1.661 2.758 -8.113 1.00 0.00 O ATOM 368 CB ALA A 28 0.428 0.300 -9.956 1.00 0.00 C ATOM 0 H ALA A 28 -0.489 -0.970 -8.015 1.00 0.00 H new ATOM 0 HA ALA A 28 2.023 0.271 -8.519 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.968 0.948 -10.646 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.570 -0.740 -10.248 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.634 0.543 -9.986 1.00 0.00 H new ATOM 374 N ALA A 29 -0.457 2.302 -7.742 1.00 0.00 N ATOM 375 CA ALA A 29 -0.720 3.697 -7.295 1.00 0.01 C ATOM 376 C ALA A 29 -0.004 3.911 -5.959 1.00 0.00 C ATOM 377 O ALA A 29 0.612 4.933 -5.724 1.00 0.00 O ATOM 378 CB ALA A 29 -2.228 3.908 -7.116 1.00 0.01 C ATOM 0 H ALA A 29 -1.264 1.678 -7.725 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.355 4.407 -8.037 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.416 4.931 -6.789 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.735 3.732 -8.065 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.606 3.212 -6.367 1.00 0.01 H new ATOM 384 N PHE A 30 -0.067 2.936 -5.090 1.00 0.00 N ATOM 385 CA PHE A 30 0.623 3.055 -3.775 1.00 0.00 C ATOM 386 C PHE A 30 2.122 3.238 -4.029 1.00 0.00 C ATOM 387 O PHE A 30 2.759 4.083 -3.436 1.00 0.00 O ATOM 388 CB PHE A 30 0.367 1.786 -2.950 1.00 0.00 C ATOM 389 CG PHE A 30 0.939 1.939 -1.554 1.00 0.00 C ATOM 390 CD1 PHE A 30 0.433 2.921 -0.692 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.962 1.087 -1.119 1.00 0.00 C ATOM 392 CE1 PHE A 30 0.951 3.053 0.601 1.00 0.00 C ATOM 393 CE2 PHE A 30 2.480 1.221 0.176 1.00 0.00 C ATOM 394 CZ PHE A 30 1.974 2.204 1.035 1.00 0.00 C ATOM 0 H PHE A 30 -0.569 2.060 -5.237 1.00 0.00 H new ATOM 0 HA PHE A 30 0.243 3.912 -3.219 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.704 1.592 -2.892 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.820 0.926 -3.443 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.358 3.577 -1.026 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.351 0.328 -1.781 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.561 3.811 1.264 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.270 0.566 0.512 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.374 2.307 2.033 1.00 0.00 H new ATOM 404 N LYS A 31 2.691 2.470 -4.926 1.00 0.00 N ATOM 405 CA LYS A 31 4.147 2.629 -5.221 1.00 0.00 C ATOM 406 C LYS A 31 4.401 4.052 -5.718 1.00 0.00 C ATOM 407 O LYS A 31 5.356 4.695 -5.325 1.00 0.00 O ATOM 408 CB LYS A 31 4.569 1.634 -6.305 1.00 0.00 C ATOM 409 CG LYS A 31 4.553 0.213 -5.744 1.00 0.00 C ATOM 410 CD LYS A 31 4.976 -0.767 -6.840 1.00 0.00 C ATOM 411 CE LYS A 31 4.963 -2.194 -6.288 1.00 0.01 C ATOM 412 NZ LYS A 31 4.964 -3.162 -7.418 1.00 0.00 N ATOM 0 H LYS A 31 2.214 1.746 -5.462 1.00 0.00 H new ATOM 0 HA LYS A 31 4.724 2.440 -4.316 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.894 1.705 -7.158 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.567 1.880 -6.667 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.229 0.138 -4.892 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.556 -0.036 -5.382 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.300 -0.690 -7.691 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.973 -0.515 -7.201 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.834 -2.358 -5.654 1.00 0.01 H new ATOM 0 HE3 LYS A 31 4.082 -2.347 -5.665 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 4.955 -4.132 -7.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.120 -3.010 -8.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.818 -3.021 -7.995 1.00 0.00 H new ATOM 426 N ALA A 32 3.547 4.563 -6.561 1.00 0.00 N ATOM 427 CA ALA A 32 3.748 5.953 -7.048 1.00 0.00 C ATOM 428 C ALA A 32 3.538 6.904 -5.875 1.00 0.01 C ATOM 429 O ALA A 32 4.291 7.834 -5.671 1.00 0.00 O ATOM 430 CB ALA A 32 2.731 6.267 -8.148 1.00 0.00 C ATOM 0 H ALA A 32 2.727 4.082 -6.930 1.00 0.00 H new ATOM 0 HA ALA A 32 4.753 6.067 -7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.882 7.287 -8.502 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.865 5.571 -8.977 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.721 6.167 -7.750 1.00 0.00 H new ATOM 436 N PHE A 33 2.522 6.666 -5.093 1.00 0.00 N ATOM 437 CA PHE A 33 2.266 7.541 -3.924 1.00 0.00 C ATOM 438 C PHE A 33 3.471 7.502 -2.979 1.00 0.00 C ATOM 439 O PHE A 33 3.864 8.502 -2.421 1.00 0.00 O ATOM 440 CB PHE A 33 1.011 7.096 -3.182 1.00 0.00 C ATOM 441 CG PHE A 33 0.805 8.030 -2.023 1.00 0.00 C ATOM 442 CD1 PHE A 33 0.090 9.216 -2.215 1.00 0.00 C ATOM 443 CD2 PHE A 33 1.339 7.727 -0.766 1.00 0.00 C ATOM 444 CE1 PHE A 33 -0.094 10.100 -1.150 1.00 0.01 C ATOM 445 CE2 PHE A 33 1.154 8.611 0.301 1.00 0.00 C ATOM 446 CZ PHE A 33 0.438 9.797 0.110 1.00 0.00 C ATOM 0 H PHE A 33 1.859 5.901 -5.216 1.00 0.00 H new ATOM 0 HA PHE A 33 2.113 8.561 -4.278 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.147 7.116 -3.847 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.119 6.070 -2.831 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.320 9.448 -3.187 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.893 6.812 -0.620 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.646 11.017 -1.297 1.00 0.01 H new ATOM 0 HE2 PHE A 33 1.564 8.378 1.273 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.295 10.480 0.934 1.00 0.00 H new ATOM 456 N LEU A 34 4.061 6.354 -2.786 1.00 0.00 N ATOM 457 CA LEU A 34 5.235 6.288 -1.868 1.00 0.00 C ATOM 458 C LEU A 34 6.316 7.221 -2.402 1.00 0.00 C ATOM 459 O LEU A 34 6.989 7.901 -1.653 1.00 0.00 O ATOM 460 CB LEU A 34 5.790 4.861 -1.797 1.00 0.00 C ATOM 461 CG LEU A 34 4.853 3.949 -0.982 1.00 0.00 C ATOM 462 CD1 LEU A 34 5.329 2.493 -1.112 1.00 0.00 C ATOM 463 CD2 LEU A 34 4.856 4.369 0.505 1.00 0.00 C ATOM 0 H LEU A 34 3.787 5.471 -3.217 1.00 0.00 H new ATOM 0 HA LEU A 34 4.925 6.587 -0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.908 4.461 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.780 4.873 -1.341 1.00 0.00 H new ATOM 0 HG LEU A 34 3.837 4.041 -1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.670 1.842 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.309 2.196 -2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.346 2.407 -0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.190 3.716 1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.867 4.288 0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.513 5.400 0.593 1.00 0.00 H new ATOM 475 N LYS A 35 6.475 7.281 -3.692 1.00 0.00 N ATOM 476 CA LYS A 35 7.499 8.194 -4.264 1.00 0.00 C ATOM 477 C LYS A 35 7.163 9.625 -3.843 1.00 0.01 C ATOM 478 O LYS A 35 8.035 10.421 -3.560 1.00 0.00 O ATOM 479 CB LYS A 35 7.491 8.086 -5.791 1.00 0.00 C ATOM 480 CG LYS A 35 8.544 9.026 -6.381 1.00 0.00 C ATOM 481 CD LYS A 35 8.582 8.854 -7.900 1.00 0.00 C ATOM 482 CE LYS A 35 9.535 9.881 -8.510 1.00 0.00 C ATOM 483 NZ LYS A 35 8.968 11.245 -8.329 1.00 0.01 N ATOM 0 H LYS A 35 5.943 6.740 -4.373 1.00 0.00 H new ATOM 0 HA LYS A 35 8.489 7.922 -3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.696 7.059 -6.093 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.504 8.341 -6.178 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.309 10.059 -6.126 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.523 8.807 -5.954 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.908 7.845 -8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.582 8.980 -8.315 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.513 9.815 -8.033 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.682 9.673 -9.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.383 11.890 -9.032 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 7.936 11.212 -8.456 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 9.188 11.588 -7.372 1.00 0.01 H new ATOM 497 N SER A 36 5.900 9.956 -3.794 1.00 0.00 N ATOM 498 CA SER A 36 5.510 11.333 -3.387 1.00 0.00 C ATOM 499 C SER A 36 6.032 11.589 -1.972 1.00 0.00 C ATOM 500 O SER A 36 6.451 12.681 -1.642 1.00 0.00 O ATOM 501 CB SER A 36 3.985 11.469 -3.411 1.00 0.00 C ATOM 502 OG SER A 36 3.514 11.208 -4.726 1.00 0.00 O ATOM 0 H SER A 36 5.125 9.332 -4.018 1.00 0.00 H new ATOM 0 HA SER A 36 5.937 12.060 -4.078 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.534 10.771 -2.705 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.692 12.472 -3.099 1.00 0.00 H new ATOM 0 HG SER A 36 2.538 11.292 -4.747 1.00 0.00 H new ATOM 508 N GLU A 37 6.021 10.582 -1.133 1.00 0.00 N ATOM 509 CA GLU A 37 6.528 10.750 0.265 1.00 0.00 C ATOM 510 C GLU A 37 7.941 10.163 0.347 1.00 0.00 C ATOM 511 O GLU A 37 8.537 10.095 1.403 1.00 0.00 O ATOM 512 CB GLU A 37 5.612 10.006 1.239 1.00 0.00 C ATOM 513 CG GLU A 37 4.268 10.730 1.328 1.00 0.00 C ATOM 514 CD GLU A 37 3.355 9.985 2.304 1.00 0.01 C ATOM 515 OE1 GLU A 37 3.721 8.894 2.711 1.00 0.00 O ATOM 516 OE2 GLU A 37 2.311 10.521 2.635 1.00 0.00 O ATOM 0 H GLU A 37 5.681 9.647 -1.357 1.00 0.00 H new ATOM 0 HA GLU A 37 6.544 11.808 0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.463 8.980 0.903 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.076 9.955 2.224 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.417 11.757 1.663 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.803 10.780 0.343 1.00 0.00 H new ATOM 523 N TYR A 38 8.472 9.749 -0.773 1.00 0.00 N ATOM 524 CA TYR A 38 9.848 9.173 -0.803 1.00 0.00 C ATOM 525 C TYR A 38 9.942 7.998 0.165 1.00 0.00 C ATOM 526 O TYR A 38 10.985 7.723 0.726 1.00 0.00 O ATOM 527 CB TYR A 38 10.862 10.252 -0.417 1.00 0.00 C ATOM 528 CG TYR A 38 10.744 11.396 -1.390 1.00 0.00 C ATOM 529 CD1 TYR A 38 11.462 11.373 -2.591 1.00 0.00 C ATOM 530 CD2 TYR A 38 9.904 12.474 -1.096 1.00 0.00 C ATOM 531 CE1 TYR A 38 11.341 12.434 -3.496 1.00 0.00 C ATOM 532 CE2 TYR A 38 9.781 13.532 -2.001 1.00 0.00 C ATOM 533 CZ TYR A 38 10.499 13.512 -3.202 1.00 0.01 C ATOM 534 OH TYR A 38 10.376 14.554 -4.096 1.00 0.00 O ATOM 0 H TYR A 38 8.005 9.786 -1.679 1.00 0.00 H new ATOM 0 HA TYR A 38 10.068 8.817 -1.810 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.676 10.599 0.599 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.873 9.844 -0.434 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.108 10.538 -2.819 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.350 12.489 -0.169 1.00 0.00 H new ATOM 0 HE1 TYR A 38 11.898 12.420 -4.421 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.132 14.365 -1.773 1.00 0.00 H new ATOM 0 HH TYR A 38 9.752 15.220 -3.739 1.00 0.00 H new ATOM 544 N SER A 39 8.857 7.295 0.355 1.00 0.00 N ATOM 545 CA SER A 39 8.853 6.119 1.276 1.00 0.00 C ATOM 546 C SER A 39 8.789 4.841 0.431 1.00 0.00 C ATOM 547 O SER A 39 8.080 3.907 0.740 1.00 0.00 O ATOM 548 CB SER A 39 7.631 6.218 2.198 1.00 0.00 C ATOM 549 OG SER A 39 7.259 4.922 2.651 1.00 0.00 O ATOM 0 H SER A 39 7.962 7.488 -0.094 1.00 0.00 H new ATOM 0 HA SER A 39 9.755 6.099 1.888 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.858 6.859 3.050 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.799 6.679 1.665 1.00 0.00 H new ATOM 0 HG SER A 39 7.595 4.247 2.025 1.00 0.00 H new ATOM 555 N GLU A 40 9.529 4.798 -0.646 1.00 0.00 N ATOM 556 CA GLU A 40 9.509 3.587 -1.518 1.00 0.00 C ATOM 557 C GLU A 40 10.105 2.407 -0.752 1.00 0.00 C ATOM 558 O GLU A 40 9.812 1.262 -1.022 1.00 0.00 O ATOM 559 CB GLU A 40 10.325 3.855 -2.789 1.00 0.00 C ATOM 560 CG GLU A 40 11.777 4.181 -2.429 1.00 0.00 C ATOM 561 CD GLU A 40 12.569 4.450 -3.708 1.00 0.00 C ATOM 562 OE1 GLU A 40 12.084 4.090 -4.768 1.00 0.00 O ATOM 563 OE2 GLU A 40 13.648 5.011 -3.608 1.00 0.00 O ATOM 0 H GLU A 40 10.145 5.548 -0.959 1.00 0.00 H new ATOM 0 HA GLU A 40 8.483 3.352 -1.800 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.292 2.982 -3.441 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.886 4.684 -3.343 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.814 5.052 -1.775 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.222 3.351 -1.880 1.00 0.00 H new ATOM 570 N GLU A 41 10.927 2.672 0.214 1.00 0.00 N ATOM 571 CA GLU A 41 11.518 1.561 0.998 1.00 0.00 C ATOM 572 C GLU A 41 10.391 0.803 1.708 1.00 0.00 C ATOM 573 O GLU A 41 10.505 -0.370 1.998 1.00 0.00 O ATOM 574 CB GLU A 41 12.498 2.134 2.021 1.00 0.00 C ATOM 575 CG GLU A 41 11.791 3.194 2.870 1.00 0.00 C ATOM 576 CD GLU A 41 12.808 3.876 3.785 1.00 0.00 C ATOM 577 OE1 GLU A 41 13.860 3.299 4.005 1.00 0.00 O ATOM 578 OE2 GLU A 41 12.514 4.964 4.251 1.00 0.00 O ATOM 0 H GLU A 41 11.216 3.609 0.496 1.00 0.00 H new ATOM 0 HA GLU A 41 12.054 0.876 0.341 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.880 1.338 2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.356 2.574 1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.313 3.932 2.226 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.003 2.732 3.465 1.00 0.00 H new ATOM 585 N ASN A 42 9.302 1.471 1.992 1.00 0.00 N ATOM 586 CA ASN A 42 8.171 0.790 2.686 1.00 0.00 C ATOM 587 C ASN A 42 7.654 -0.389 1.850 1.00 0.00 C ATOM 588 O ASN A 42 7.409 -1.457 2.376 1.00 0.00 O ATOM 589 CB ASN A 42 7.031 1.789 2.916 1.00 0.00 C ATOM 590 CG ASN A 42 7.397 2.726 4.069 1.00 0.00 C ATOM 591 OD1 ASN A 42 6.581 2.999 4.926 1.00 0.00 O ATOM 592 ND2 ASN A 42 8.596 3.233 4.126 1.00 0.00 N ATOM 0 H ASN A 42 9.149 2.455 1.774 1.00 0.00 H new ATOM 0 HA ASN A 42 8.530 0.411 3.643 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.850 2.365 2.009 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.108 1.257 3.145 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.849 3.859 4.890 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.281 3.004 3.406 1.00 0.00 H new ATOM 599 N ILE A 43 7.472 -0.224 0.560 1.00 0.00 N ATOM 600 CA ILE A 43 6.961 -1.375 -0.242 1.00 0.00 C ATOM 601 C ILE A 43 8.057 -2.434 -0.325 1.00 0.00 C ATOM 602 O ILE A 43 7.799 -3.615 -0.217 1.00 0.00 O ATOM 603 CB ILE A 43 6.537 -0.919 -1.657 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.578 -1.962 -2.262 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.757 -0.784 -2.577 1.00 0.00 C ATOM 606 CD1 ILE A 43 4.220 -1.947 -1.537 1.00 0.00 C ATOM 0 H ILE A 43 7.651 0.636 0.041 1.00 0.00 H new ATOM 0 HA ILE A 43 6.079 -1.793 0.243 1.00 0.00 H new ATOM 0 HB ILE A 43 6.046 0.051 -1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.431 -1.755 -3.322 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.022 -2.955 -2.190 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.433 -0.462 -3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.445 -0.047 -2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.261 -1.747 -2.656 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.561 -2.692 -1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.368 -2.178 -0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.768 -0.960 -1.632 1.00 0.00 H new ATOM 618 N ASP A 44 9.285 -2.019 -0.496 1.00 0.00 N ATOM 619 CA ASP A 44 10.383 -3.018 -0.556 1.00 0.00 C ATOM 620 C ASP A 44 10.433 -3.731 0.792 1.00 0.00 C ATOM 621 O ASP A 44 10.571 -4.936 0.870 1.00 0.00 O ATOM 622 CB ASP A 44 11.711 -2.306 -0.814 1.00 0.00 C ATOM 623 CG ASP A 44 11.726 -1.765 -2.244 1.00 0.00 C ATOM 624 OD1 ASP A 44 10.976 -2.279 -3.058 1.00 0.00 O ATOM 625 OD2 ASP A 44 12.481 -0.841 -2.500 1.00 0.00 O ATOM 0 H ASP A 44 9.569 -1.044 -0.595 1.00 0.00 H new ATOM 0 HA ASP A 44 10.210 -3.733 -1.361 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.843 -1.490 -0.103 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.541 -2.996 -0.666 1.00 0.00 H new ATOM 630 N PHE A 45 10.289 -2.988 1.855 1.00 0.00 N ATOM 631 CA PHE A 45 10.289 -3.604 3.206 1.00 0.00 C ATOM 632 C PHE A 45 9.045 -4.483 3.334 1.00 0.00 C ATOM 633 O PHE A 45 9.091 -5.577 3.858 1.00 0.00 O ATOM 634 CB PHE A 45 10.258 -2.504 4.270 1.00 0.00 C ATOM 635 CG PHE A 45 10.083 -3.123 5.635 1.00 0.00 C ATOM 636 CD1 PHE A 45 11.195 -3.614 6.326 1.00 0.00 C ATOM 637 CD2 PHE A 45 8.807 -3.214 6.204 1.00 0.00 C ATOM 638 CE1 PHE A 45 11.034 -4.194 7.590 1.00 0.00 C ATOM 639 CE2 PHE A 45 8.645 -3.794 7.468 1.00 0.00 C ATOM 640 CZ PHE A 45 9.759 -4.283 8.159 1.00 0.00 C ATOM 0 H PHE A 45 10.171 -1.975 1.842 1.00 0.00 H new ATOM 0 HA PHE A 45 11.187 -4.205 3.347 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.182 -1.927 4.237 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.442 -1.811 4.067 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.178 -3.546 5.885 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.948 -2.837 5.668 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.893 -4.572 8.125 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.662 -3.864 7.909 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.634 -4.730 9.134 1.00 0.00 H new ATOM 650 N TRP A 46 7.935 -4.001 2.847 1.00 0.00 N ATOM 651 CA TRP A 46 6.675 -4.784 2.921 1.00 0.00 C ATOM 652 C TRP A 46 6.868 -6.102 2.170 1.00 0.00 C ATOM 653 O TRP A 46 6.544 -7.164 2.661 1.00 0.00 O ATOM 654 CB TRP A 46 5.551 -3.978 2.269 1.00 0.00 C ATOM 655 CG TRP A 46 4.241 -4.666 2.477 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.499 -4.589 3.604 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.504 -5.520 1.557 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.353 -5.343 3.435 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.309 -5.937 2.190 1.00 0.00 C ATOM 660 CE3 TRP A 46 3.751 -5.971 0.248 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.393 -6.770 1.547 1.00 0.00 C ATOM 662 CZ3 TRP A 46 2.831 -6.809 -0.403 1.00 0.00 C ATOM 663 CH2 TRP A 46 1.654 -7.208 0.246 1.00 0.00 C ATOM 0 H TRP A 46 7.849 -3.090 2.397 1.00 0.00 H new ATOM 0 HA TRP A 46 6.418 -4.991 3.960 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.516 -2.976 2.696 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.746 -3.864 1.203 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.759 -4.030 4.491 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.628 -5.448 4.144 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.655 -5.671 -0.261 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.488 -7.074 2.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.031 -7.148 -1.409 1.00 0.00 H new ATOM 0 HH2 TRP A 46 0.950 -7.853 -0.259 1.00 0.00 H new ATOM 674 N ILE A 47 7.405 -6.041 0.983 1.00 0.00 N ATOM 675 CA ILE A 47 7.625 -7.292 0.206 1.00 0.00 C ATOM 676 C ILE A 47 8.565 -8.197 1.000 1.00 0.00 C ATOM 677 O ILE A 47 8.329 -9.380 1.145 1.00 0.00 O ATOM 678 CB ILE A 47 8.256 -6.947 -1.147 1.00 0.00 C ATOM 679 CG1 ILE A 47 7.239 -6.186 -1.999 1.00 0.00 C ATOM 680 CG2 ILE A 47 8.660 -8.238 -1.866 1.00 0.00 C ATOM 681 CD1 ILE A 47 7.931 -5.613 -3.238 1.00 0.00 C ATOM 0 H ILE A 47 7.700 -5.182 0.519 1.00 0.00 H new ATOM 0 HA ILE A 47 6.677 -7.802 0.035 1.00 0.00 H new ATOM 0 HB ILE A 47 9.139 -6.327 -0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.430 -6.852 -2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.791 -5.381 -1.416 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.109 -7.993 -2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.381 -8.783 -1.257 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.777 -8.858 -2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.204 -5.071 -3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.725 -4.933 -2.929 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.358 -6.426 -3.825 1.00 0.00 H new ATOM 693 N SER A 48 9.622 -7.649 1.532 1.00 0.00 N ATOM 694 CA SER A 48 10.561 -8.481 2.328 1.00 0.00 C ATOM 695 C SER A 48 9.858 -8.917 3.614 1.00 0.00 C ATOM 696 O SER A 48 9.992 -10.040 4.059 1.00 0.00 O ATOM 697 CB SER A 48 11.797 -7.656 2.684 1.00 0.00 C ATOM 698 OG SER A 48 11.435 -6.660 3.632 1.00 0.00 O ATOM 0 H SER A 48 9.874 -6.664 1.449 1.00 0.00 H new ATOM 0 HA SER A 48 10.864 -9.355 1.751 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.574 -8.301 3.094 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.209 -7.191 1.789 1.00 0.00 H new ATOM 0 HG SER A 48 10.587 -6.248 3.366 1.00 0.00 H new ATOM 704 N CYS A 49 9.101 -8.034 4.211 1.00 0.00 N ATOM 705 CA CYS A 49 8.380 -8.394 5.463 1.00 0.00 C ATOM 706 C CYS A 49 7.288 -9.418 5.148 1.00 0.00 C ATOM 707 O CYS A 49 7.055 -10.343 5.898 1.00 0.01 O ATOM 708 CB CYS A 49 7.750 -7.139 6.075 1.00 0.00 C ATOM 709 SG CYS A 49 7.379 -7.448 7.818 1.00 0.01 S ATOM 0 H CYS A 49 8.952 -7.079 3.884 1.00 0.00 H new ATOM 0 HA CYS A 49 9.085 -8.825 6.175 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.431 -6.293 5.980 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.839 -6.876 5.538 1.00 0.00 H new ATOM 0 HG CYS A 49 7.565 -6.358 8.501 1.00 0.01 H new ATOM 715 N GLU A 50 6.615 -9.264 4.040 1.00 0.00 N ATOM 716 CA GLU A 50 5.546 -10.241 3.693 1.00 0.00 C ATOM 717 C GLU A 50 6.166 -11.631 3.581 1.00 0.01 C ATOM 718 O GLU A 50 5.624 -12.603 4.058 1.00 0.00 O ATOM 719 CB GLU A 50 4.897 -9.850 2.360 1.00 0.01 C ATOM 720 CG GLU A 50 3.922 -8.690 2.584 1.00 0.00 C ATOM 721 CD GLU A 50 2.684 -9.197 3.325 1.00 0.01 C ATOM 722 OE1 GLU A 50 2.363 -10.364 3.171 1.00 0.01 O ATOM 723 OE2 GLU A 50 2.078 -8.410 4.033 1.00 0.00 O ATOM 0 H GLU A 50 6.758 -8.511 3.366 1.00 0.00 H new ATOM 0 HA GLU A 50 4.780 -10.241 4.469 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.664 -9.560 1.642 1.00 0.01 H new ATOM 0 HB3 GLU A 50 4.370 -10.705 1.936 1.00 0.01 H new ATOM 0 HG2 GLU A 50 4.406 -7.901 3.160 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.633 -8.255 1.627 1.00 0.00 H new ATOM 730 N GLU A 51 7.319 -11.727 2.978 1.00 0.01 N ATOM 731 CA GLU A 51 7.981 -13.053 2.864 1.00 0.00 C ATOM 732 C GLU A 51 8.232 -13.573 4.277 1.00 0.01 C ATOM 733 O GLU A 51 8.069 -14.742 4.568 1.00 0.00 O ATOM 734 CB GLU A 51 9.309 -12.899 2.117 1.00 0.00 C ATOM 735 CG GLU A 51 9.029 -12.582 0.645 1.00 0.00 C ATOM 736 CD GLU A 51 10.349 -12.426 -0.111 1.00 0.00 C ATOM 737 OE1 GLU A 51 11.381 -12.388 0.537 1.00 0.00 O ATOM 738 OE2 GLU A 51 10.305 -12.354 -1.329 1.00 0.01 O ATOM 0 H GLU A 51 7.828 -10.947 2.562 1.00 0.01 H new ATOM 0 HA GLU A 51 7.352 -13.752 2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.902 -12.102 2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.894 -13.815 2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.435 -13.380 0.198 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.443 -11.666 0.566 1.00 0.00 H new ATOM 745 N TYR A 52 8.627 -12.696 5.156 1.00 0.00 N ATOM 746 CA TYR A 52 8.893 -13.097 6.565 1.00 0.01 C ATOM 747 C TYR A 52 7.606 -13.667 7.180 1.00 0.01 C ATOM 748 O TYR A 52 7.628 -14.654 7.887 1.00 0.01 O ATOM 749 CB TYR A 52 9.347 -11.862 7.347 1.00 0.00 C ATOM 750 CG TYR A 52 9.916 -12.272 8.681 1.00 0.01 C ATOM 751 CD1 TYR A 52 9.063 -12.498 9.765 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.300 -12.423 8.833 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.594 -12.874 11.005 1.00 0.01 C ATOM 754 CE2 TYR A 52 11.832 -12.798 10.072 1.00 0.00 C ATOM 755 CZ TYR A 52 10.978 -13.023 11.158 1.00 0.01 C ATOM 756 OH TYR A 52 11.500 -13.395 12.380 1.00 0.01 O ATOM 0 H TYR A 52 8.779 -11.707 4.956 1.00 0.00 H new ATOM 0 HA TYR A 52 9.671 -13.859 6.603 1.00 0.01 H new ATOM 0 HB2 TYR A 52 10.098 -11.316 6.775 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.505 -11.186 7.495 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.996 -12.383 9.646 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.957 -12.250 7.994 1.00 0.01 H new ATOM 0 HE1 TYR A 52 8.936 -13.049 11.843 1.00 0.01 H new ATOM 0 HE2 TYR A 52 12.899 -12.914 10.190 1.00 0.00 H new ATOM 0 HH TYR A 52 10.770 -13.641 12.986 1.00 0.01 H new ATOM 766 N LYS A 53 6.482 -13.051 6.912 1.00 0.01 N ATOM 767 CA LYS A 53 5.190 -13.557 7.475 1.00 0.01 C ATOM 768 C LYS A 53 4.789 -14.870 6.802 1.00 0.01 C ATOM 769 O LYS A 53 3.993 -15.625 7.327 1.00 0.01 O ATOM 770 CB LYS A 53 4.081 -12.529 7.250 1.00 0.01 C ATOM 771 CG LYS A 53 4.322 -11.311 8.139 1.00 0.00 C ATOM 772 CD LYS A 53 3.210 -10.287 7.909 1.00 0.00 C ATOM 773 CE LYS A 53 3.439 -9.074 8.811 1.00 0.01 C ATOM 774 NZ LYS A 53 4.804 -8.525 8.578 1.00 0.00 N ATOM 0 H LYS A 53 6.402 -12.219 6.327 1.00 0.01 H new ATOM 0 HA LYS A 53 5.328 -13.725 8.543 1.00 0.01 H new ATOM 0 HB2 LYS A 53 4.057 -12.228 6.203 1.00 0.01 H new ATOM 0 HB3 LYS A 53 3.111 -12.971 7.477 1.00 0.01 H new ATOM 0 HG2 LYS A 53 4.345 -11.610 9.187 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.292 -10.868 7.913 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.196 -9.979 6.864 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.239 -10.734 8.123 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.689 -8.310 8.606 1.00 0.01 H new ATOM 0 HE3 LYS A 53 3.325 -9.360 9.857 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 4.779 -7.488 8.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.459 -8.908 9.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.129 -8.795 7.628 1.00 0.00 H new ATOM 788 N LYS A 54 5.312 -15.145 5.639 1.00 0.00 N ATOM 789 CA LYS A 54 4.928 -16.404 4.934 1.00 0.01 C ATOM 790 C LYS A 54 5.807 -17.551 5.428 1.00 0.01 C ATOM 791 O LYS A 54 5.381 -18.689 5.480 1.00 0.01 O ATOM 792 CB LYS A 54 5.128 -16.214 3.429 1.00 0.01 C ATOM 793 CG LYS A 54 4.076 -15.239 2.893 1.00 0.01 C ATOM 794 CD LYS A 54 4.277 -15.049 1.388 1.00 0.00 C ATOM 795 CE LYS A 54 3.228 -14.074 0.850 1.00 0.01 C ATOM 796 NZ LYS A 54 1.870 -14.645 1.067 1.00 0.01 N ATOM 0 H LYS A 54 5.985 -14.557 5.147 1.00 0.00 H new ATOM 0 HA LYS A 54 3.883 -16.639 5.138 1.00 0.01 H new ATOM 0 HB2 LYS A 54 6.129 -15.831 3.230 1.00 0.01 H new ATOM 0 HB3 LYS A 54 5.046 -17.172 2.917 1.00 0.01 H new ATOM 0 HG2 LYS A 54 3.075 -15.622 3.092 1.00 0.01 H new ATOM 0 HG3 LYS A 54 4.158 -14.281 3.406 1.00 0.01 H new ATOM 0 HD2 LYS A 54 5.279 -14.667 1.190 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.194 -16.008 0.876 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.316 -13.112 1.355 1.00 0.01 H new ATOM 0 HE3 LYS A 54 3.394 -13.893 -0.212 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 1.199 -14.206 0.404 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 1.895 -15.672 0.905 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 1.566 -14.456 2.043 1.00 0.01 H new ATOM 810 N ILE A 55 7.018 -17.268 5.810 1.00 0.01 N ATOM 811 CA ILE A 55 7.895 -18.355 6.319 1.00 0.01 C ATOM 812 C ILE A 55 7.421 -18.754 7.718 1.00 0.00 C ATOM 813 O ILE A 55 7.425 -17.956 8.635 1.00 0.01 O ATOM 814 CB ILE A 55 9.341 -17.860 6.377 1.00 0.01 C ATOM 815 CG1 ILE A 55 9.859 -17.645 4.955 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.213 -18.900 7.081 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.184 -16.883 5.010 1.00 0.01 C ATOM 0 H ILE A 55 7.437 -16.338 5.792 1.00 0.01 H new ATOM 0 HA ILE A 55 7.845 -19.219 5.656 1.00 0.01 H new ATOM 0 HB ILE A 55 9.380 -16.921 6.929 1.00 0.01 H new ATOM 0 HG12 ILE A 55 9.999 -18.605 4.457 1.00 0.01 H new ATOM 0 HG13 ILE A 55 9.129 -17.086 4.370 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.243 -18.545 7.121 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.844 -19.058 8.094 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.175 -19.840 6.530 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.557 -16.728 3.998 1.00 0.01 H new ATOM 0 HD12 ILE A 55 11.029 -15.918 5.492 1.00 0.01 H new ATOM 0 HD13 ILE A 55 11.912 -17.460 5.580 1.00 0.01 H new ATOM 829 N LYS A 56 7.011 -19.982 7.887 1.00 0.01 N ATOM 830 CA LYS A 56 6.534 -20.444 9.224 1.00 0.01 C ATOM 831 C LYS A 56 7.664 -21.194 9.929 1.00 0.01 C ATOM 832 O LYS A 56 7.518 -21.663 11.040 1.00 0.01 O ATOM 833 CB LYS A 56 5.334 -21.371 9.032 1.00 0.01 C ATOM 834 CG LYS A 56 4.179 -20.582 8.411 1.00 0.01 C ATOM 835 CD LYS A 56 2.976 -21.507 8.215 1.00 0.00 C ATOM 836 CE LYS A 56 1.817 -20.723 7.594 1.00 0.00 C ATOM 837 NZ LYS A 56 2.251 -20.133 6.295 1.00 0.00 N ATOM 0 H LYS A 56 6.986 -20.690 7.153 1.00 0.01 H new ATOM 0 HA LYS A 56 6.237 -19.589 9.832 1.00 0.01 H new ATOM 0 HB2 LYS A 56 5.606 -22.208 8.388 1.00 0.01 H new ATOM 0 HB3 LYS A 56 5.028 -21.792 9.990 1.00 0.01 H new ATOM 0 HG2 LYS A 56 3.907 -19.746 9.056 1.00 0.01 H new ATOM 0 HG3 LYS A 56 4.486 -20.160 7.454 1.00 0.01 H new ATOM 0 HD2 LYS A 56 3.249 -22.343 7.570 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.670 -21.929 9.172 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.962 -21.381 7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.493 -19.934 8.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.415 -19.917 5.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.785 -19.258 6.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.856 -20.812 5.790 1.00 0.00 H new ATOM 851 N SER A 57 8.797 -21.304 9.285 1.00 0.00 N ATOM 852 CA SER A 57 9.959 -22.016 9.897 1.00 0.01 C ATOM 853 C SER A 57 10.884 -20.982 10.575 1.00 0.01 C ATOM 854 O SER A 57 11.506 -20.194 9.892 1.00 0.00 O ATOM 855 CB SER A 57 10.744 -22.723 8.790 1.00 0.01 C ATOM 856 OG SER A 57 9.988 -23.828 8.310 1.00 0.01 O ATOM 0 H SER A 57 8.968 -20.928 8.353 1.00 0.00 H new ATOM 0 HA SER A 57 9.605 -22.740 10.631 1.00 0.01 H new ATOM 0 HB2 SER A 57 10.952 -22.029 7.976 1.00 0.01 H new ATOM 0 HB3 SER A 57 11.706 -23.064 9.172 1.00 0.01 H new ATOM 0 HG SER A 57 10.487 -24.282 7.599 1.00 0.01 H new ATOM 862 N PRO A 58 10.998 -20.955 11.895 1.00 0.00 N ATOM 863 CA PRO A 58 11.887 -19.952 12.545 1.00 0.01 C ATOM 864 C PRO A 58 13.371 -20.243 12.275 1.00 0.00 C ATOM 865 O PRO A 58 14.247 -19.547 12.753 1.00 0.00 O ATOM 866 CB PRO A 58 11.538 -20.102 14.039 1.00 0.01 C ATOM 867 CG PRO A 58 10.689 -21.378 14.213 1.00 0.01 C ATOM 868 CD PRO A 58 10.273 -21.883 12.817 1.00 0.01 C ATOM 0 HA PRO A 58 11.736 -18.940 12.169 1.00 0.01 H new ATOM 0 HB2 PRO A 58 12.447 -20.167 14.637 1.00 0.01 H new ATOM 0 HB3 PRO A 58 10.988 -19.229 14.390 1.00 0.01 H new ATOM 0 HG2 PRO A 58 11.260 -22.144 14.738 1.00 0.01 H new ATOM 0 HG3 PRO A 58 9.807 -21.167 14.818 1.00 0.01 H new ATOM 0 HD2 PRO A 58 10.567 -22.921 12.659 1.00 0.01 H new ATOM 0 HD3 PRO A 58 9.194 -21.832 12.674 1.00 0.01 H new ATOM 876 N SER A 59 13.658 -21.265 11.516 1.00 0.01 N ATOM 877 CA SER A 59 15.080 -21.597 11.218 1.00 0.01 C ATOM 878 C SER A 59 15.559 -20.783 10.017 1.00 0.01 C ATOM 879 O SER A 59 16.723 -20.449 9.910 1.00 0.01 O ATOM 880 CB SER A 59 15.195 -23.087 10.900 1.00 0.01 C ATOM 881 OG SER A 59 14.782 -23.840 12.033 1.00 0.01 O ATOM 0 H SER A 59 12.969 -21.885 11.089 1.00 0.01 H new ATOM 0 HA SER A 59 15.697 -21.357 12.084 1.00 0.01 H new ATOM 0 HB2 SER A 59 14.576 -23.336 10.038 1.00 0.01 H new ATOM 0 HB3 SER A 59 16.223 -23.337 10.637 1.00 0.01 H new ATOM 0 HG SER A 59 14.852 -24.797 11.833 1.00 0.01 H new ATOM 887 N LYS A 60 14.676 -20.457 9.107 1.00 0.00 N ATOM 888 CA LYS A 60 15.097 -19.661 7.913 1.00 0.00 C ATOM 889 C LYS A 60 14.935 -18.165 8.191 1.00 0.01 C ATOM 890 O LYS A 60 15.481 -17.336 7.490 1.00 0.01 O ATOM 891 CB LYS A 60 14.226 -20.029 6.708 1.00 0.01 C ATOM 892 CG LYS A 60 14.560 -21.446 6.237 1.00 0.01 C ATOM 893 CD LYS A 60 13.528 -21.907 5.199 1.00 0.01 C ATOM 894 CE LYS A 60 13.556 -20.972 3.982 1.00 0.01 C ATOM 895 NZ LYS A 60 12.904 -21.643 2.822 1.00 0.01 N ATOM 0 H LYS A 60 13.687 -20.706 9.138 1.00 0.00 H new ATOM 0 HA LYS A 60 16.142 -19.885 7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.172 -19.965 6.977 1.00 0.01 H new ATOM 0 HB3 LYS A 60 14.392 -19.319 5.898 1.00 0.01 H new ATOM 0 HG2 LYS A 60 15.560 -21.469 5.804 1.00 0.01 H new ATOM 0 HG3 LYS A 60 14.565 -22.129 7.086 1.00 0.01 H new ATOM 0 HD2 LYS A 60 13.744 -22.929 4.888 1.00 0.01 H new ATOM 0 HD3 LYS A 60 12.532 -21.912 5.641 1.00 0.01 H new ATOM 0 HE2 LYS A 60 13.039 -20.041 4.214 1.00 0.01 H new ATOM 0 HE3 LYS A 60 14.585 -20.712 3.734 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 12.924 -21.009 1.998 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 13.415 -22.520 2.596 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 11.918 -21.869 3.061 1.00 0.01 H new ATOM 909 N LEU A 61 14.183 -17.806 9.194 1.00 0.01 N ATOM 910 CA LEU A 61 13.989 -16.356 9.489 1.00 0.01 C ATOM 911 C LEU A 61 15.331 -15.711 9.857 1.00 0.01 C ATOM 912 O LEU A 61 15.622 -14.599 9.468 1.00 0.01 O ATOM 913 CB LEU A 61 13.013 -16.193 10.661 1.00 0.01 C ATOM 914 CG LEU A 61 11.648 -16.817 10.317 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.681 -16.626 11.501 1.00 0.01 C ATOM 916 CD2 LEU A 61 11.059 -16.160 9.052 1.00 0.01 C ATOM 0 H LEU A 61 13.696 -18.448 9.820 1.00 0.01 H new ATOM 0 HA LEU A 61 13.584 -15.867 8.603 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.423 -16.669 11.552 1.00 0.01 H new ATOM 0 HB3 LEU A 61 12.888 -15.135 10.893 1.00 0.01 H new ATOM 0 HG LEU A 61 11.785 -17.881 10.126 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.715 -17.068 11.257 1.00 0.01 H new ATOM 0 HD12 LEU A 61 11.089 -17.113 12.387 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.553 -15.562 11.699 1.00 0.01 H new ATOM 0 HD21 LEU A 61 10.094 -16.612 8.823 1.00 0.01 H new ATOM 0 HD22 LEU A 61 10.927 -15.092 9.225 1.00 0.01 H new ATOM 0 HD23 LEU A 61 11.739 -16.311 8.214 1.00 0.01 H new ATOM 928 N SER A 62 16.147 -16.398 10.609 1.00 0.00 N ATOM 929 CA SER A 62 17.464 -15.822 11.012 1.00 0.01 C ATOM 930 C SER A 62 18.252 -15.318 9.783 1.00 0.01 C ATOM 931 O SER A 62 18.511 -14.137 9.671 1.00 0.01 O ATOM 932 CB SER A 62 18.267 -16.882 11.787 1.00 0.01 C ATOM 933 OG SER A 62 18.116 -16.650 13.180 1.00 0.01 O ATOM 0 H SER A 62 15.959 -17.336 10.963 1.00 0.00 H new ATOM 0 HA SER A 62 17.292 -14.962 11.659 1.00 0.01 H new ATOM 0 HB2 SER A 62 17.915 -17.882 11.532 1.00 0.01 H new ATOM 0 HB3 SER A 62 19.320 -16.834 11.509 1.00 0.01 H new ATOM 0 HG SER A 62 18.623 -17.323 13.681 1.00 0.01 H new ATOM 939 N PRO A 63 18.646 -16.185 8.873 1.00 0.00 N ATOM 940 CA PRO A 63 19.421 -15.739 7.681 1.00 0.00 C ATOM 941 C PRO A 63 18.843 -14.471 7.030 1.00 0.01 C ATOM 942 O PRO A 63 19.534 -13.486 6.861 1.00 0.00 O ATOM 943 CB PRO A 63 19.326 -16.961 6.743 1.00 0.01 C ATOM 944 CG PRO A 63 18.574 -18.083 7.486 1.00 0.01 C ATOM 945 CD PRO A 63 18.365 -17.645 8.946 1.00 0.01 C ATOM 0 HA PRO A 63 20.444 -15.454 7.928 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.802 -16.695 5.825 1.00 0.01 H new ATOM 0 HB3 PRO A 63 20.322 -17.297 6.455 1.00 0.01 H new ATOM 0 HG2 PRO A 63 17.614 -18.277 7.007 1.00 0.01 H new ATOM 0 HG3 PRO A 63 19.144 -19.012 7.447 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.352 -17.849 9.292 1.00 0.01 H new ATOM 0 HD3 PRO A 63 19.044 -18.158 9.627 1.00 0.01 H new ATOM 953 N LYS A 64 17.594 -14.490 6.650 1.00 0.01 N ATOM 954 CA LYS A 64 17.011 -13.283 6.002 1.00 0.01 C ATOM 955 C LYS A 64 16.817 -12.172 7.038 1.00 0.00 C ATOM 956 O LYS A 64 16.887 -11.003 6.718 1.00 0.00 O ATOM 957 CB LYS A 64 15.666 -13.626 5.355 1.00 0.00 C ATOM 958 CG LYS A 64 14.618 -13.912 6.439 1.00 0.01 C ATOM 959 CD LYS A 64 13.350 -14.484 5.798 1.00 0.01 C ATOM 960 CE LYS A 64 12.855 -13.547 4.690 1.00 0.01 C ATOM 961 NZ LYS A 64 11.422 -13.834 4.394 1.00 0.00 N ATOM 0 H LYS A 64 16.959 -15.281 6.759 1.00 0.01 H new ATOM 0 HA LYS A 64 17.698 -12.937 5.230 1.00 0.01 H new ATOM 0 HB2 LYS A 64 15.334 -12.799 4.727 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.777 -14.495 4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.018 -14.617 7.167 1.00 0.01 H new ATOM 0 HG3 LYS A 64 14.381 -12.996 6.980 1.00 0.01 H new ATOM 0 HD2 LYS A 64 13.555 -15.472 5.386 1.00 0.01 H new ATOM 0 HD3 LYS A 64 12.575 -14.608 6.554 1.00 0.01 H new ATOM 0 HE2 LYS A 64 12.972 -12.508 4.999 1.00 0.01 H new ATOM 0 HE3 LYS A 64 13.456 -13.681 3.791 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 10.961 -12.972 4.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.359 -14.581 3.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.945 -14.150 5.262 1.00 0.00 H new ATOM 975 N ALA A 65 16.572 -12.519 8.273 1.00 0.00 N ATOM 976 CA ALA A 65 16.377 -11.461 9.302 1.00 0.01 C ATOM 977 C ALA A 65 17.637 -10.601 9.367 1.00 0.01 C ATOM 978 O ALA A 65 17.578 -9.388 9.348 1.00 0.01 O ATOM 979 CB ALA A 65 16.126 -12.102 10.668 1.00 0.01 C ATOM 0 H ALA A 65 16.499 -13.479 8.610 1.00 0.00 H new ATOM 0 HA ALA A 65 15.517 -10.846 9.037 1.00 0.01 H new ATOM 0 HB1 ALA A 65 15.984 -11.322 11.416 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.232 -12.724 10.619 1.00 0.01 H new ATOM 0 HB3 ALA A 65 16.982 -12.718 10.944 1.00 0.01 H new ATOM 985 N LYS A 66 18.780 -11.226 9.433 1.00 0.01 N ATOM 986 CA LYS A 66 20.047 -10.451 9.490 1.00 0.00 C ATOM 987 C LYS A 66 20.176 -9.600 8.224 1.00 0.01 C ATOM 988 O LYS A 66 20.532 -8.440 8.275 1.00 0.01 O ATOM 989 CB LYS A 66 21.224 -11.425 9.566 1.00 0.01 C ATOM 990 CG LYS A 66 21.217 -12.133 10.923 1.00 0.01 C ATOM 991 CD LYS A 66 22.396 -13.105 10.993 1.00 0.01 C ATOM 992 CE LYS A 66 22.395 -13.818 12.348 1.00 0.00 C ATOM 993 NZ LYS A 66 22.168 -12.825 13.436 1.00 0.00 N ATOM 0 H LYS A 66 18.889 -12.240 9.450 1.00 0.01 H new ATOM 0 HA LYS A 66 20.046 -9.804 10.367 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.156 -12.158 8.762 1.00 0.01 H new ATOM 0 HB3 LYS A 66 22.163 -10.888 9.429 1.00 0.01 H new ATOM 0 HG2 LYS A 66 21.286 -11.401 11.728 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.279 -12.671 11.061 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.327 -13.835 10.187 1.00 0.01 H new ATOM 0 HD3 LYS A 66 23.333 -12.566 10.855 1.00 0.01 H new ATOM 0 HE2 LYS A 66 21.616 -14.580 12.369 1.00 0.00 H new ATOM 0 HE3 LYS A 66 23.345 -14.330 12.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 22.480 -13.227 14.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 22.710 -11.960 13.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 21.155 -12.594 13.490 1.00 0.00 H new ATOM 1007 N LYS A 67 19.888 -10.176 7.085 1.00 0.00 N ATOM 1008 CA LYS A 67 19.990 -9.413 5.808 1.00 0.00 C ATOM 1009 C LYS A 67 18.978 -8.270 5.817 1.00 0.01 C ATOM 1010 O LYS A 67 19.304 -7.132 5.544 1.00 0.01 O ATOM 1011 CB LYS A 67 19.681 -10.350 4.640 1.00 0.00 C ATOM 1012 CG LYS A 67 20.820 -11.356 4.482 1.00 0.01 C ATOM 1013 CD LYS A 67 20.513 -12.293 3.314 1.00 0.00 C ATOM 1014 CE LYS A 67 21.653 -13.298 3.158 1.00 0.00 C ATOM 1015 NZ LYS A 67 22.900 -12.575 2.787 1.00 0.01 N ATOM 0 H LYS A 67 19.586 -11.145 6.986 1.00 0.00 H new ATOM 0 HA LYS A 67 20.996 -9.008 5.702 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.741 -10.873 4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 67 19.558 -9.776 3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.760 -10.833 4.305 1.00 0.01 H new ATOM 0 HG3 LYS A 67 20.943 -11.930 5.400 1.00 0.01 H new ATOM 0 HD2 LYS A 67 19.573 -12.816 3.490 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.391 -11.719 2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.800 -13.846 4.089 1.00 0.00 H new ATOM 0 HE3 LYS A 67 21.403 -14.032 2.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 23.566 -13.238 2.341 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 22.673 -11.811 2.119 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 23.334 -12.170 3.641 1.00 0.01 H new ATOM 1029 N ILE A 68 17.749 -8.565 6.134 1.00 0.01 N ATOM 1030 CA ILE A 68 16.712 -7.500 6.169 1.00 0.00 C ATOM 1031 C ILE A 68 17.010 -6.559 7.334 1.00 0.01 C ATOM 1032 O ILE A 68 16.899 -5.354 7.218 1.00 0.00 O ATOM 1033 CB ILE A 68 15.337 -8.147 6.369 1.00 0.01 C ATOM 1034 CG1 ILE A 68 14.975 -8.953 5.119 1.00 0.00 C ATOM 1035 CG2 ILE A 68 14.277 -7.068 6.606 1.00 0.00 C ATOM 1036 CD1 ILE A 68 13.738 -9.808 5.405 1.00 0.00 C ATOM 0 H ILE A 68 17.418 -9.500 6.371 1.00 0.01 H new ATOM 0 HA ILE A 68 16.717 -6.939 5.234 1.00 0.00 H new ATOM 0 HB ILE A 68 15.372 -8.805 7.237 1.00 0.01 H new ATOM 0 HG12 ILE A 68 14.781 -8.281 4.283 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.811 -9.589 4.828 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.304 -7.539 6.747 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.535 -6.494 7.496 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.237 -6.402 5.744 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.479 -10.382 4.516 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.950 -10.490 6.229 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.903 -9.161 5.675 1.00 0.00 H new ATOM 1048 N TYR A 69 17.384 -7.104 8.457 1.00 0.00 N ATOM 1049 CA TYR A 69 17.688 -6.251 9.636 1.00 0.01 C ATOM 1050 C TYR A 69 18.852 -5.305 9.323 1.00 0.00 C ATOM 1051 O TYR A 69 18.783 -4.115 9.544 1.00 0.01 O ATOM 1052 CB TYR A 69 18.084 -7.146 10.808 1.00 0.01 C ATOM 1053 CG TYR A 69 18.467 -6.289 11.991 1.00 0.01 C ATOM 1054 CD1 TYR A 69 19.773 -5.796 12.103 1.00 0.01 C ATOM 1055 CD2 TYR A 69 17.522 -5.992 12.977 1.00 0.00 C ATOM 1056 CE1 TYR A 69 20.132 -5.006 13.201 1.00 0.01 C ATOM 1057 CE2 TYR A 69 17.881 -5.199 14.075 1.00 0.01 C ATOM 1058 CZ TYR A 69 19.186 -4.708 14.186 1.00 0.01 C ATOM 1059 OH TYR A 69 19.540 -3.927 15.267 1.00 0.01 O ATOM 0 H TYR A 69 17.492 -8.107 8.608 1.00 0.00 H new ATOM 0 HA TYR A 69 16.805 -5.663 9.885 1.00 0.01 H new ATOM 0 HB2 TYR A 69 17.255 -7.802 11.074 1.00 0.01 H new ATOM 0 HB3 TYR A 69 18.919 -7.786 10.524 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.504 -6.026 11.342 1.00 0.01 H new ATOM 0 HD2 TYR A 69 16.515 -6.374 12.893 1.00 0.00 H new ATOM 0 HE1 TYR A 69 21.140 -4.627 13.287 1.00 0.01 H new ATOM 0 HE2 TYR A 69 17.150 -4.967 14.836 1.00 0.01 H new ATOM 0 HH TYR A 69 18.758 -3.426 15.579 1.00 0.01 H new ATOM 1069 N ASN A 70 19.922 -5.833 8.814 1.00 0.01 N ATOM 1070 CA ASN A 70 21.096 -4.977 8.495 1.00 0.00 C ATOM 1071 C ASN A 70 20.714 -3.933 7.448 1.00 0.00 C ATOM 1072 O ASN A 70 21.169 -2.808 7.480 1.00 0.01 O ATOM 1073 CB ASN A 70 22.229 -5.852 7.953 1.00 0.00 C ATOM 1074 CG ASN A 70 22.791 -6.718 9.082 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.719 -6.352 10.239 1.00 0.01 O ATOM 1076 ND2 ASN A 70 23.353 -7.860 8.792 1.00 0.01 N ATOM 0 H ASN A 70 20.038 -6.824 8.603 1.00 0.01 H new ATOM 0 HA ASN A 70 21.425 -4.468 9.401 1.00 0.00 H new ATOM 0 HB2 ASN A 70 21.860 -6.484 7.145 1.00 0.00 H new ATOM 0 HB3 ASN A 70 23.017 -5.226 7.534 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.732 -8.446 9.536 1.00 0.01 H new ATOM 0 HD22 ASN A 70 23.413 -8.167 7.821 1.00 0.01 H new ATOM 1083 N GLU A 71 19.911 -4.307 6.499 1.00 0.00 N ATOM 1084 CA GLU A 71 19.530 -3.352 5.423 1.00 0.00 C ATOM 1085 C GLU A 71 18.430 -2.379 5.876 1.00 0.00 C ATOM 1086 O GLU A 71 18.620 -1.184 5.878 1.00 0.00 O ATOM 1087 CB GLU A 71 19.029 -4.145 4.210 1.00 0.00 C ATOM 1088 CG GLU A 71 18.714 -3.188 3.051 1.00 0.00 C ATOM 1089 CD GLU A 71 18.217 -3.989 1.849 1.00 0.00 C ATOM 1090 OE1 GLU A 71 18.252 -5.206 1.917 1.00 0.00 O ATOM 1091 OE2 GLU A 71 17.815 -3.370 0.877 1.00 0.00 O ATOM 0 H GLU A 71 19.499 -5.237 6.419 1.00 0.00 H new ATOM 0 HA GLU A 71 20.411 -2.763 5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 71 19.784 -4.868 3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 71 18.137 -4.711 4.478 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.958 -2.465 3.358 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.605 -2.622 2.781 1.00 0.00 H new ATOM 1098 N PHE A 72 17.260 -2.871 6.180 1.00 0.00 N ATOM 1099 CA PHE A 72 16.128 -1.958 6.540 1.00 0.00 C ATOM 1100 C PHE A 72 16.105 -1.527 8.021 1.00 0.00 C ATOM 1101 O PHE A 72 15.550 -0.496 8.340 1.00 0.00 O ATOM 1102 CB PHE A 72 14.823 -2.679 6.212 1.00 0.00 C ATOM 1103 CG PHE A 72 14.727 -2.876 4.717 1.00 0.00 C ATOM 1104 CD1 PHE A 72 15.258 -4.030 4.129 1.00 0.00 C ATOM 1105 CD2 PHE A 72 14.112 -1.905 3.918 1.00 0.00 C ATOM 1106 CE1 PHE A 72 15.174 -4.214 2.744 1.00 0.00 C ATOM 1107 CE2 PHE A 72 14.027 -2.088 2.532 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.556 -3.243 1.945 1.00 0.00 C ATOM 0 H PHE A 72 17.035 -3.866 6.196 1.00 0.00 H new ATOM 0 HA PHE A 72 16.258 -1.042 5.964 1.00 0.00 H new ATOM 0 HB2 PHE A 72 14.788 -3.642 6.721 1.00 0.00 H new ATOM 0 HB3 PHE A 72 13.973 -2.098 6.570 1.00 0.00 H new ATOM 0 HD1 PHE A 72 15.733 -4.779 4.745 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.703 -1.014 4.371 1.00 0.00 H new ATOM 0 HE1 PHE A 72 15.585 -5.104 2.291 1.00 0.00 H new ATOM 0 HE2 PHE A 72 13.553 -1.338 1.916 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.488 -3.386 0.877 1.00 0.00 H new ATOM 1118 N ILE A 73 16.651 -2.291 8.935 1.00 0.00 N ATOM 1119 CA ILE A 73 16.578 -1.884 10.389 1.00 0.00 C ATOM 1120 C ILE A 73 17.872 -1.203 10.850 1.00 0.00 C ATOM 1121 O ILE A 73 17.877 -0.493 11.836 1.00 0.01 O ATOM 1122 CB ILE A 73 16.331 -3.130 11.241 1.00 0.00 C ATOM 1123 CG1 ILE A 73 15.037 -3.819 10.763 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.212 -2.751 12.721 1.00 0.00 C ATOM 1125 CD1 ILE A 73 13.821 -2.886 10.900 1.00 0.00 C ATOM 0 H ILE A 73 17.139 -3.167 8.750 1.00 0.00 H new ATOM 0 HA ILE A 73 15.763 -1.170 10.505 1.00 0.00 H new ATOM 0 HB ILE A 73 17.172 -3.815 11.131 1.00 0.00 H new ATOM 0 HG12 ILE A 73 15.148 -4.124 9.722 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.869 -4.726 11.345 1.00 0.00 H new ATOM 0 HG21 ILE A 73 16.036 -3.649 13.314 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.135 -2.274 13.050 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.379 -2.060 12.854 1.00 0.00 H new ATOM 0 HD11 ILE A 73 12.925 -3.402 10.554 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.696 -2.602 11.945 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.979 -1.991 10.298 1.00 0.00 H new ATOM 1137 N SER A 74 18.967 -1.406 10.175 1.00 0.01 N ATOM 1138 CA SER A 74 20.230 -0.754 10.634 1.00 0.00 C ATOM 1139 C SER A 74 20.053 0.766 10.657 1.00 0.00 C ATOM 1140 O SER A 74 19.653 1.372 9.681 1.00 0.01 O ATOM 1141 CB SER A 74 21.375 -1.117 9.690 1.00 0.00 C ATOM 1142 OG SER A 74 22.568 -0.478 10.131 1.00 0.01 O ATOM 0 H SER A 74 19.046 -1.985 9.339 1.00 0.01 H new ATOM 0 HA SER A 74 20.464 -1.106 11.639 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.515 -2.198 9.668 1.00 0.00 H new ATOM 0 HB3 SER A 74 21.136 -0.805 8.673 1.00 0.00 H new ATOM 0 HG SER A 74 23.305 -0.710 9.529 1.00 0.01 H new ATOM 1148 N VAL A 75 20.364 1.388 11.763 1.00 0.01 N ATOM 1149 CA VAL A 75 20.233 2.868 11.852 1.00 0.01 C ATOM 1150 C VAL A 75 21.178 3.505 10.835 1.00 0.00 C ATOM 1151 O VAL A 75 21.037 4.655 10.471 1.00 0.00 O ATOM 1152 CB VAL A 75 20.598 3.336 13.264 1.00 0.00 C ATOM 1153 CG1 VAL A 75 19.654 2.678 14.274 1.00 0.01 C ATOM 1154 CG2 VAL A 75 22.053 2.955 13.583 1.00 0.00 C ATOM 0 H VAL A 75 20.704 0.932 12.610 1.00 0.01 H new ATOM 0 HA VAL A 75 19.206 3.163 11.639 1.00 0.01 H new ATOM 0 HB VAL A 75 20.497 4.420 13.324 1.00 0.00 H new ATOM 0 HG11 VAL A 75 19.910 3.008 15.281 1.00 0.01 H new ATOM 0 HG12 VAL A 75 18.626 2.962 14.050 1.00 0.01 H new ATOM 0 HG13 VAL A 75 19.753 1.594 14.212 1.00 0.01 H new ATOM 0 HG21 VAL A 75 22.305 3.291 14.589 1.00 0.00 H new ATOM 0 HG22 VAL A 75 22.167 1.873 13.523 1.00 0.00 H new ATOM 0 HG23 VAL A 75 22.720 3.431 12.864 1.00 0.00 H new ATOM 1164 N GLN A 76 22.145 2.755 10.372 1.00 0.01 N ATOM 1165 CA GLN A 76 23.112 3.297 9.373 1.00 0.01 C ATOM 1166 C GLN A 76 22.635 2.917 7.972 1.00 0.01 C ATOM 1167 O GLN A 76 23.255 3.243 6.980 1.00 0.01 O ATOM 1168 CB GLN A 76 24.497 2.692 9.624 1.00 0.00 C ATOM 1169 CG GLN A 76 25.068 3.255 10.926 1.00 0.01 C ATOM 1170 CD GLN A 76 26.467 2.682 11.172 1.00 0.01 C ATOM 1171 OE1 GLN A 76 27.248 2.542 10.253 1.00 0.01 O ATOM 1172 NE2 GLN A 76 26.819 2.350 12.384 1.00 0.01 N ATOM 0 H GLN A 76 22.306 1.786 10.645 1.00 0.01 H new ATOM 0 HA GLN A 76 23.173 4.382 9.463 1.00 0.01 H new ATOM 0 HB2 GLN A 76 24.426 1.606 9.685 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.163 2.922 8.792 1.00 0.00 H new ATOM 0 HG2 GLN A 76 25.115 4.343 10.872 1.00 0.01 H new ATOM 0 HG3 GLN A 76 24.411 3.005 11.759 1.00 0.01 H new ATOM 0 HE21 GLN A 76 26.163 2.468 13.156 1.00 0.01 H new ATOM 0 HE22 GLN A 76 27.750 1.973 12.559 1.00 0.01 H new ATOM 1181 N ALA A 77 21.529 2.230 7.892 1.00 0.01 N ATOM 1182 CA ALA A 77 20.986 1.822 6.567 1.00 0.00 C ATOM 1183 C ALA A 77 20.933 3.032 5.636 1.00 0.01 C ATOM 1184 O ALA A 77 20.667 4.140 6.057 1.00 0.00 O ATOM 1185 CB ALA A 77 19.570 1.277 6.754 1.00 0.00 C ATOM 0 H ALA A 77 20.974 1.932 8.694 1.00 0.01 H new ATOM 0 HA ALA A 77 21.629 1.057 6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 77 19.165 0.976 5.788 1.00 0.00 H new ATOM 0 HB2 ALA A 77 19.597 0.415 7.421 1.00 0.00 H new ATOM 0 HB3 ALA A 77 18.937 2.051 7.187 1.00 0.00 H new ATOM 1191 N THR A 78 21.171 2.832 4.370 1.00 0.01 N ATOM 1192 CA THR A 78 21.116 3.976 3.420 1.00 0.01 C ATOM 1193 C THR A 78 19.662 4.418 3.266 1.00 0.01 C ATOM 1194 O THR A 78 19.377 5.523 2.850 1.00 0.00 O ATOM 1195 CB THR A 78 21.667 3.539 2.060 1.00 0.00 C ATOM 1196 OG1 THR A 78 20.884 2.465 1.560 1.00 0.01 O ATOM 1197 CG2 THR A 78 23.120 3.086 2.214 1.00 0.01 C ATOM 0 H THR A 78 21.400 1.929 3.954 1.00 0.01 H new ATOM 0 HA THR A 78 21.716 4.803 3.799 1.00 0.01 H new ATOM 0 HB THR A 78 21.625 4.377 1.364 1.00 0.00 H new ATOM 0 HG1 THR A 78 21.233 2.184 0.688 1.00 0.01 H new ATOM 0 HG21 THR A 78 23.509 2.776 1.244 1.00 0.01 H new ATOM 0 HG22 THR A 78 23.720 3.911 2.598 1.00 0.01 H new ATOM 0 HG23 THR A 78 23.168 2.248 2.909 1.00 0.01 H new ATOM 1205 N LYS A 79 18.737 3.556 3.604 1.00 0.00 N ATOM 1206 CA LYS A 79 17.287 3.905 3.492 1.00 0.00 C ATOM 1207 C LYS A 79 16.549 3.420 4.741 1.00 0.00 C ATOM 1208 O LYS A 79 15.914 2.386 4.744 1.00 0.00 O ATOM 1209 CB LYS A 79 16.695 3.242 2.241 1.00 0.00 C ATOM 1210 CG LYS A 79 17.187 1.795 2.124 1.00 0.00 C ATOM 1211 CD LYS A 79 16.584 1.158 0.870 1.00 0.01 C ATOM 1212 CE LYS A 79 17.057 -0.293 0.752 1.00 0.00 C ATOM 1213 NZ LYS A 79 16.303 -0.973 -0.337 1.00 0.00 N ATOM 0 H LYS A 79 18.925 2.617 3.956 1.00 0.00 H new ATOM 0 HA LYS A 79 17.176 4.986 3.408 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.606 3.260 2.292 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.982 3.804 1.352 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.275 1.772 2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.899 1.228 3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.496 1.193 0.920 1.00 0.01 H new ATOM 0 HD3 LYS A 79 16.881 1.721 -0.015 1.00 0.01 H new ATOM 0 HE2 LYS A 79 18.126 -0.322 0.542 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.903 -0.815 1.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.497 -1.994 -0.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.284 -0.811 -0.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.600 -0.590 -1.257 1.00 0.00 H new ATOM 1227 N GLU A 80 16.623 4.170 5.806 1.00 0.00 N ATOM 1228 CA GLU A 80 15.922 3.766 7.056 1.00 0.00 C ATOM 1229 C GLU A 80 14.418 3.778 6.806 1.00 0.00 C ATOM 1230 O GLU A 80 13.902 4.649 6.138 1.00 0.00 O ATOM 1231 CB GLU A 80 16.255 4.756 8.173 1.00 0.00 C ATOM 1232 CG GLU A 80 17.723 4.606 8.570 1.00 0.00 C ATOM 1233 CD GLU A 80 18.069 5.640 9.642 1.00 0.01 C ATOM 1234 OE1 GLU A 80 17.818 5.366 10.804 1.00 0.01 O ATOM 1235 OE2 GLU A 80 18.576 6.688 9.283 1.00 0.00 O ATOM 0 H GLU A 80 17.140 5.047 5.864 1.00 0.00 H new ATOM 0 HA GLU A 80 16.243 2.767 7.350 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.060 5.775 7.839 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.614 4.575 9.036 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.908 3.600 8.947 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.362 4.743 7.698 1.00 0.00 H new ATOM 1242 N VAL A 81 13.703 2.820 7.332 1.00 0.00 N ATOM 1243 CA VAL A 81 12.226 2.791 7.111 1.00 0.00 C ATOM 1244 C VAL A 81 11.534 3.591 8.212 1.00 0.00 C ATOM 1245 O VAL A 81 12.063 3.768 9.291 1.00 0.00 O ATOM 1246 CB VAL A 81 11.735 1.345 7.134 1.00 0.00 C ATOM 1247 CG1 VAL A 81 12.114 0.656 5.823 1.00 0.00 C ATOM 1248 CG2 VAL A 81 12.392 0.606 8.299 1.00 0.00 C ATOM 0 H VAL A 81 14.074 2.060 7.902 1.00 0.00 H new ATOM 0 HA VAL A 81 11.992 3.233 6.143 1.00 0.00 H new ATOM 0 HB VAL A 81 10.652 1.331 7.253 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.763 -0.376 5.840 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.652 1.183 4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.198 0.669 5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.043 -0.427 8.318 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.475 0.621 8.175 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.127 1.096 9.236 1.00 0.00 H new ATOM 1258 N ASN A 82 10.355 4.082 7.943 1.00 0.00 N ATOM 1259 CA ASN A 82 9.629 4.879 8.965 1.00 0.00 C ATOM 1260 C ASN A 82 9.084 3.939 10.040 1.00 0.00 C ATOM 1261 O ASN A 82 8.074 3.286 9.861 1.00 0.00 O ATOM 1262 CB ASN A 82 8.477 5.623 8.289 1.00 0.00 C ATOM 1263 CG ASN A 82 7.820 4.706 7.256 1.00 0.00 C ATOM 1264 OD1 ASN A 82 7.656 3.526 7.492 1.00 0.00 O ATOM 1265 ND2 ASN A 82 7.435 5.201 6.112 1.00 0.00 N ATOM 0 H ASN A 82 9.864 3.964 7.057 1.00 0.00 H new ATOM 0 HA ASN A 82 10.303 5.600 9.428 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.744 5.935 9.033 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.847 6.528 7.806 1.00 0.00 H new ATOM 0 HD21 ASN A 82 6.997 4.597 5.417 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.572 6.192 5.913 1.00 0.00 H new ATOM 1272 N LEU A 83 9.755 3.869 11.156 1.00 0.00 N ATOM 1273 CA LEU A 83 9.310 2.976 12.262 1.00 0.00 C ATOM 1274 C LEU A 83 9.663 3.627 13.602 1.00 0.00 C ATOM 1275 O LEU A 83 10.452 4.548 13.668 1.00 0.00 O ATOM 1276 CB LEU A 83 10.033 1.630 12.142 1.00 0.01 C ATOM 1277 CG LEU A 83 9.422 0.779 11.008 1.00 0.00 C ATOM 1278 CD1 LEU A 83 10.293 -0.463 10.757 1.00 0.00 C ATOM 1279 CD2 LEU A 83 7.993 0.336 11.382 1.00 0.00 C ATOM 0 H LEU A 83 10.604 4.400 11.351 1.00 0.00 H new ATOM 0 HA LEU A 83 8.233 2.818 12.203 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.092 1.797 11.947 1.00 0.01 H new ATOM 0 HB3 LEU A 83 9.964 1.090 13.086 1.00 0.01 H new ATOM 0 HG LEU A 83 9.382 1.384 10.102 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.855 -1.058 9.956 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.297 -0.151 10.470 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.345 -1.061 11.667 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.574 -0.263 10.573 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.024 -0.258 12.295 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.370 1.216 11.542 1.00 0.00 H new ATOM 1291 N ASP A 84 9.078 3.161 14.671 1.00 0.01 N ATOM 1292 CA ASP A 84 9.376 3.757 16.004 1.00 0.00 C ATOM 1293 C ASP A 84 10.792 3.381 16.441 1.00 0.00 C ATOM 1294 O ASP A 84 11.313 2.343 16.081 1.00 0.00 O ATOM 1295 CB ASP A 84 8.369 3.236 17.033 1.00 0.00 C ATOM 1296 CG ASP A 84 6.993 3.838 16.752 1.00 0.01 C ATOM 1297 OD1 ASP A 84 6.941 4.878 16.117 1.00 0.01 O ATOM 1298 OD2 ASP A 84 6.014 3.250 17.179 1.00 0.00 O ATOM 0 H ASP A 84 8.406 2.393 14.679 1.00 0.01 H new ATOM 0 HA ASP A 84 9.301 4.842 15.934 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.317 2.148 16.988 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.693 3.499 18.040 1.00 0.00 H new ATOM 1303 N SER A 85 11.414 4.222 17.218 1.00 0.00 N ATOM 1304 CA SER A 85 12.798 3.933 17.691 1.00 0.01 C ATOM 1305 C SER A 85 12.769 2.773 18.689 1.00 0.01 C ATOM 1306 O SER A 85 13.761 2.112 18.916 1.00 0.00 O ATOM 1307 CB SER A 85 13.369 5.177 18.376 1.00 0.01 C ATOM 1308 OG SER A 85 13.395 6.254 17.449 1.00 0.00 O ATOM 0 H SER A 85 11.021 5.103 17.549 1.00 0.00 H new ATOM 0 HA SER A 85 13.423 3.662 16.840 1.00 0.01 H new ATOM 0 HB2 SER A 85 12.761 5.441 19.241 1.00 0.01 H new ATOM 0 HB3 SER A 85 14.375 4.974 18.744 1.00 0.01 H new ATOM 0 HG SER A 85 13.759 7.053 17.885 1.00 0.00 H new ATOM 1314 N CYS A 86 11.638 2.524 19.292 1.00 0.01 N ATOM 1315 CA CYS A 86 11.550 1.411 20.281 1.00 0.01 C ATOM 1316 C CYS A 86 11.365 0.087 19.543 1.00 0.00 C ATOM 1317 O CYS A 86 11.912 -0.927 19.926 1.00 0.01 O ATOM 1318 CB CYS A 86 10.358 1.650 21.210 1.00 0.01 C ATOM 1319 SG CYS A 86 10.122 0.205 22.276 1.00 0.01 S ATOM 0 H CYS A 86 10.772 3.042 19.143 1.00 0.01 H new ATOM 0 HA CYS A 86 12.467 1.372 20.869 1.00 0.01 H new ATOM 0 HB2 CYS A 86 10.529 2.539 21.817 1.00 0.01 H new ATOM 0 HB3 CYS A 86 9.458 1.833 20.624 1.00 0.01 H new ATOM 0 HG CYS A 86 9.110 0.409 23.066 1.00 0.01 H new ATOM 1325 N THR A 87 10.611 0.085 18.481 1.00 0.00 N ATOM 1326 CA THR A 87 10.412 -1.175 17.721 1.00 0.00 C ATOM 1327 C THR A 87 11.781 -1.657 17.217 1.00 0.00 C ATOM 1328 O THR A 87 12.075 -2.834 17.204 1.00 0.01 O ATOM 1329 CB THR A 87 9.460 -0.928 16.548 1.00 0.00 C ATOM 1330 OG1 THR A 87 8.236 -0.402 17.045 1.00 0.00 O ATOM 1331 CG2 THR A 87 9.184 -2.251 15.828 1.00 0.00 C ATOM 0 H THR A 87 10.125 0.901 18.108 1.00 0.00 H new ATOM 0 HA THR A 87 9.970 -1.939 18.360 1.00 0.00 H new ATOM 0 HB THR A 87 9.912 -0.221 15.852 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.622 -0.240 16.298 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.506 -2.076 14.993 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.121 -2.664 15.455 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.728 -2.956 16.524 1.00 0.00 H new ATOM 1339 N ARG A 88 12.621 -0.744 16.806 1.00 0.01 N ATOM 1340 CA ARG A 88 13.976 -1.130 16.311 1.00 0.00 C ATOM 1341 C ARG A 88 14.729 -1.848 17.424 1.00 0.00 C ATOM 1342 O ARG A 88 15.264 -2.921 17.226 1.00 0.01 O ATOM 1343 CB ARG A 88 14.751 0.133 15.887 1.00 0.00 C ATOM 1344 CG ARG A 88 14.402 0.584 14.446 1.00 0.00 C ATOM 1345 CD ARG A 88 12.950 0.273 14.057 1.00 0.00 C ATOM 1346 NE ARG A 88 12.865 -1.134 13.576 1.00 0.01 N ATOM 1347 CZ ARG A 88 11.714 -1.731 13.483 1.00 0.00 C ATOM 1348 NH1 ARG A 88 10.623 -1.096 13.799 1.00 0.00 N ATOM 1349 NH2 ARG A 88 11.660 -2.972 13.085 1.00 0.01 N ATOM 0 H ARG A 88 12.426 0.257 16.792 1.00 0.01 H new ATOM 0 HA ARG A 88 13.878 -1.793 15.451 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.529 0.943 16.582 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.821 -0.061 15.955 1.00 0.00 H new ATOM 0 HG2 ARG A 88 14.575 1.656 14.354 1.00 0.00 H new ATOM 0 HG3 ARG A 88 15.074 0.091 13.744 1.00 0.00 H new ATOM 0 HD2 ARG A 88 12.292 0.418 14.914 1.00 0.00 H new ATOM 0 HD3 ARG A 88 12.615 0.958 13.278 1.00 0.00 H new ATOM 0 HE ARG A 88 13.716 -1.633 13.318 1.00 0.01 H new ATOM 0 HH11 ARG A 88 10.671 -0.129 14.120 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.720 -1.565 13.726 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.518 -3.470 12.848 1.00 0.01 H new ATOM 0 HH22 ARG A 88 10.759 -3.445 13.010 1.00 0.01 H new ATOM 1363 N GLU A 89 14.763 -1.288 18.597 1.00 0.01 N ATOM 1364 CA GLU A 89 15.470 -1.979 19.699 1.00 0.01 C ATOM 1365 C GLU A 89 14.786 -3.324 19.895 1.00 0.01 C ATOM 1366 O GLU A 89 15.417 -4.340 20.106 1.00 0.00 O ATOM 1367 CB GLU A 89 15.364 -1.153 20.983 1.00 0.01 C ATOM 1368 CG GLU A 89 16.208 0.117 20.848 1.00 0.01 C ATOM 1369 CD GLU A 89 16.095 0.940 22.133 1.00 0.01 C ATOM 1370 OE1 GLU A 89 15.267 0.599 22.962 1.00 0.01 O ATOM 1371 OE2 GLU A 89 16.842 1.896 22.269 1.00 0.01 O ATOM 0 H GLU A 89 14.337 -0.393 18.837 1.00 0.01 H new ATOM 0 HA GLU A 89 16.526 -2.109 19.462 1.00 0.01 H new ATOM 0 HB2 GLU A 89 14.323 -0.891 21.174 1.00 0.01 H new ATOM 0 HB3 GLU A 89 15.707 -1.741 21.835 1.00 0.01 H new ATOM 0 HG2 GLU A 89 17.250 -0.143 20.660 1.00 0.01 H new ATOM 0 HG3 GLU A 89 15.867 0.705 19.995 1.00 0.01 H new ATOM 1378 N GLU A 90 13.486 -3.330 19.804 1.00 0.00 N ATOM 1379 CA GLU A 90 12.729 -4.595 19.958 1.00 0.01 C ATOM 1380 C GLU A 90 13.133 -5.579 18.853 1.00 0.01 C ATOM 1381 O GLU A 90 13.257 -6.763 19.096 1.00 0.01 O ATOM 1382 CB GLU A 90 11.226 -4.316 19.890 1.00 0.01 C ATOM 1383 CG GLU A 90 10.456 -5.600 20.206 1.00 0.00 C ATOM 1384 CD GLU A 90 8.972 -5.278 20.376 1.00 0.01 C ATOM 1385 OE1 GLU A 90 8.632 -4.108 20.328 1.00 0.00 O ATOM 1386 OE2 GLU A 90 8.201 -6.205 20.554 1.00 0.01 O ATOM 0 H GLU A 90 12.914 -2.504 19.628 1.00 0.00 H new ATOM 0 HA GLU A 90 12.961 -5.035 20.928 1.00 0.01 H new ATOM 0 HB2 GLU A 90 10.958 -3.534 20.600 1.00 0.01 H new ATOM 0 HB3 GLU A 90 10.957 -3.952 18.898 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.592 -6.325 19.403 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.846 -6.056 21.116 1.00 0.00 H new ATOM 1393 N THR A 91 13.327 -5.120 17.633 1.00 0.01 N ATOM 1394 CA THR A 91 13.702 -6.081 16.556 1.00 0.01 C ATOM 1395 C THR A 91 15.021 -6.758 16.919 1.00 0.01 C ATOM 1396 O THR A 91 15.167 -7.953 16.789 1.00 0.01 O ATOM 1397 CB THR A 91 13.862 -5.351 15.213 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.852 -4.359 15.091 1.00 0.00 O ATOM 1399 CG2 THR A 91 13.719 -6.362 14.070 1.00 0.01 C ATOM 0 H THR A 91 13.243 -4.144 17.348 1.00 0.01 H new ATOM 0 HA THR A 91 12.912 -6.826 16.461 1.00 0.01 H new ATOM 0 HB THR A 91 14.844 -4.879 15.167 1.00 0.01 H new ATOM 0 HG1 THR A 91 11.982 -4.792 14.967 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.832 -5.849 13.115 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.489 -7.128 14.164 1.00 0.01 H new ATOM 0 HG23 THR A 91 12.735 -6.828 14.118 1.00 0.01 H new ATOM 1407 N SER A 92 15.981 -6.001 17.378 1.00 0.01 N ATOM 1408 CA SER A 92 17.288 -6.607 17.745 1.00 0.01 C ATOM 1409 C SER A 92 17.060 -7.668 18.816 1.00 0.01 C ATOM 1410 O SER A 92 17.685 -8.708 18.817 1.00 0.00 O ATOM 1411 CB SER A 92 18.225 -5.524 18.279 1.00 0.01 C ATOM 1412 OG SER A 92 17.635 -4.915 19.421 1.00 0.01 O ATOM 0 H SER A 92 15.915 -4.992 17.514 1.00 0.01 H new ATOM 0 HA SER A 92 17.742 -7.066 16.866 1.00 0.01 H new ATOM 0 HB2 SER A 92 19.190 -5.958 18.541 1.00 0.01 H new ATOM 0 HB3 SER A 92 18.411 -4.776 17.509 1.00 0.01 H new ATOM 0 HG SER A 92 16.659 -4.935 19.335 1.00 0.01 H new ATOM 1418 N ARG A 93 16.160 -7.424 19.717 1.00 0.01 N ATOM 1419 CA ARG A 93 15.888 -8.435 20.767 1.00 0.01 C ATOM 1420 C ARG A 93 15.320 -9.687 20.099 1.00 0.01 C ATOM 1421 O ARG A 93 15.649 -10.802 20.452 1.00 0.01 O ATOM 1422 CB ARG A 93 14.870 -7.869 21.753 1.00 0.00 C ATOM 1423 CG ARG A 93 15.530 -6.756 22.568 1.00 0.01 C ATOM 1424 CD ARG A 93 14.514 -6.177 23.552 1.00 0.01 C ATOM 1425 NE ARG A 93 14.093 -7.239 24.505 1.00 0.00 N ATOM 1426 CZ ARG A 93 13.437 -6.921 25.585 1.00 0.01 C ATOM 1427 NH1 ARG A 93 13.136 -5.675 25.823 1.00 0.00 N ATOM 1428 NH2 ARG A 93 13.078 -7.852 26.424 1.00 0.01 N ATOM 0 H ARG A 93 15.602 -6.572 19.773 1.00 0.01 H new ATOM 0 HA ARG A 93 16.804 -8.685 21.302 1.00 0.01 H new ATOM 0 HB2 ARG A 93 14.004 -7.480 21.218 1.00 0.00 H new ATOM 0 HB3 ARG A 93 14.509 -8.656 22.415 1.00 0.00 H new ATOM 0 HG2 ARG A 93 16.393 -7.148 23.107 1.00 0.01 H new ATOM 0 HG3 ARG A 93 15.897 -5.973 21.904 1.00 0.01 H new ATOM 0 HD2 ARG A 93 14.952 -5.339 24.094 1.00 0.01 H new ATOM 0 HD3 ARG A 93 13.648 -5.791 23.014 1.00 0.01 H new ATOM 0 HE ARG A 93 14.318 -8.215 24.313 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.414 -4.948 25.164 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.622 -5.427 26.669 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.311 -8.827 26.234 1.00 0.01 H new ATOM 0 HH22 ARG A 93 12.564 -7.606 27.270 1.00 0.01 H new ATOM 1442 N ASN A 94 14.470 -9.502 19.125 1.00 0.01 N ATOM 1443 CA ASN A 94 13.868 -10.666 18.414 1.00 0.01 C ATOM 1444 C ASN A 94 14.944 -11.397 17.604 1.00 0.01 C ATOM 1445 O ASN A 94 14.839 -12.578 17.346 1.00 0.01 O ATOM 1446 CB ASN A 94 12.774 -10.167 17.471 1.00 0.01 C ATOM 1447 CG ASN A 94 11.587 -9.653 18.290 1.00 0.01 C ATOM 1448 OD1 ASN A 94 11.435 -10.001 19.445 1.00 0.00 O ATOM 1449 ND2 ASN A 94 10.738 -8.831 17.739 1.00 0.01 N ATOM 0 H ASN A 94 14.165 -8.588 18.789 1.00 0.01 H new ATOM 0 HA ASN A 94 13.442 -11.354 19.144 1.00 0.01 H new ATOM 0 HB2 ASN A 94 13.162 -9.371 16.836 1.00 0.01 H new ATOM 0 HB3 ASN A 94 12.452 -10.973 16.812 1.00 0.01 H new ATOM 0 HD21 ASN A 94 9.946 -8.480 18.277 1.00 0.01 H new ATOM 0 HD22 ASN A 94 10.866 -8.539 16.770 1.00 0.01 H new ATOM 1456 N MET A 95 15.977 -10.708 17.196 1.00 0.01 N ATOM 1457 CA MET A 95 17.049 -11.379 16.402 1.00 0.01 C ATOM 1458 C MET A 95 17.649 -12.509 17.237 1.00 0.01 C ATOM 1459 O MET A 95 17.947 -13.573 16.735 1.00 0.01 O ATOM 1460 CB MET A 95 18.135 -10.368 16.026 1.00 0.01 C ATOM 1461 CG MET A 95 17.571 -9.389 14.993 1.00 0.01 C ATOM 1462 SD MET A 95 18.779 -8.084 14.661 1.00 0.01 S ATOM 1463 CE MET A 95 19.566 -8.859 13.237 1.00 0.01 C ATOM 0 H MET A 95 16.125 -9.715 17.377 1.00 0.01 H new ATOM 0 HA MET A 95 16.625 -11.787 15.484 1.00 0.01 H new ATOM 0 HB2 MET A 95 18.470 -9.828 16.912 1.00 0.01 H new ATOM 0 HB3 MET A 95 19.005 -10.884 15.620 1.00 0.01 H new ATOM 0 HG2 MET A 95 17.331 -9.918 14.071 1.00 0.01 H new ATOM 0 HG3 MET A 95 16.643 -8.953 15.361 1.00 0.01 H new ATOM 0 HE1 MET A 95 20.371 -8.220 12.874 1.00 0.01 H new ATOM 0 HE2 MET A 95 19.974 -9.827 13.529 1.00 0.01 H new ATOM 0 HE3 MET A 95 18.829 -8.999 12.446 1.00 0.01 H new ATOM 1473 N LEU A 96 17.819 -12.290 18.510 1.00 0.01 N ATOM 1474 CA LEU A 96 18.381 -13.357 19.381 1.00 0.01 C ATOM 1475 C LEU A 96 17.398 -14.532 19.393 1.00 0.01 C ATOM 1476 O LEU A 96 17.750 -15.656 19.694 1.00 0.01 O ATOM 1477 CB LEU A 96 18.555 -12.815 20.804 1.00 0.01 C ATOM 1478 CG LEU A 96 19.522 -11.622 20.796 1.00 0.01 C ATOM 1479 CD1 LEU A 96 19.492 -10.941 22.168 1.00 0.01 C ATOM 1480 CD2 LEU A 96 20.955 -12.100 20.490 1.00 0.01 C ATOM 0 H LEU A 96 17.592 -11.416 18.985 1.00 0.01 H new ATOM 0 HA LEU A 96 19.351 -13.682 19.005 1.00 0.01 H new ATOM 0 HB2 LEU A 96 17.589 -12.508 21.206 1.00 0.01 H new ATOM 0 HB3 LEU A 96 18.938 -13.600 21.457 1.00 0.01 H new ATOM 0 HG LEU A 96 19.214 -10.916 20.025 1.00 0.01 H new ATOM 0 HD11 LEU A 96 20.177 -10.093 22.168 1.00 0.01 H new ATOM 0 HD12 LEU A 96 18.481 -10.591 22.379 1.00 0.01 H new ATOM 0 HD13 LEU A 96 19.796 -11.654 22.935 1.00 0.01 H new ATOM 0 HD21 LEU A 96 21.631 -11.245 20.487 1.00 0.01 H new ATOM 0 HD22 LEU A 96 21.272 -12.811 21.253 1.00 0.01 H new ATOM 0 HD23 LEU A 96 20.977 -12.583 19.513 1.00 0.01 H new ATOM 1492 N GLU A 97 16.164 -14.264 19.055 1.00 0.01 N ATOM 1493 CA GLU A 97 15.119 -15.332 19.025 1.00 0.01 C ATOM 1494 C GLU A 97 14.158 -15.037 17.862 1.00 0.01 C ATOM 1495 O GLU A 97 13.100 -14.479 18.065 1.00 0.01 O ATOM 1496 CB GLU A 97 14.334 -15.309 20.340 1.00 0.01 C ATOM 1497 CG GLU A 97 13.401 -16.521 20.397 1.00 0.01 C ATOM 1498 CD GLU A 97 12.551 -16.454 21.667 1.00 0.01 C ATOM 1499 OE1 GLU A 97 12.461 -15.381 22.240 1.00 0.01 O ATOM 1500 OE2 GLU A 97 12.003 -17.478 22.045 1.00 0.01 O ATOM 0 H GLU A 97 15.830 -13.336 18.794 1.00 0.01 H new ATOM 0 HA GLU A 97 15.584 -16.309 18.896 1.00 0.01 H new ATOM 0 HB2 GLU A 97 15.021 -15.325 21.186 1.00 0.01 H new ATOM 0 HB3 GLU A 97 13.756 -14.388 20.415 1.00 0.01 H new ATOM 0 HG2 GLU A 97 12.758 -16.539 19.517 1.00 0.01 H new ATOM 0 HG3 GLU A 97 13.984 -17.442 20.385 1.00 0.01 H new ATOM 1507 N PRO A 98 14.528 -15.379 16.646 1.00 0.01 N ATOM 1508 CA PRO A 98 13.656 -15.095 15.469 1.00 0.01 C ATOM 1509 C PRO A 98 12.281 -15.779 15.564 1.00 0.01 C ATOM 1510 O PRO A 98 12.176 -16.990 15.560 1.00 0.01 O ATOM 1511 CB PRO A 98 14.489 -15.644 14.288 1.00 0.00 C ATOM 1512 CG PRO A 98 15.881 -16.037 14.821 1.00 0.01 C ATOM 1513 CD PRO A 98 15.818 -16.064 16.358 1.00 0.01 C ATOM 0 HA PRO A 98 13.411 -14.037 15.376 1.00 0.01 H new ATOM 0 HB2 PRO A 98 13.995 -16.508 13.843 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.581 -14.891 13.505 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.174 -17.014 14.435 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.632 -15.323 14.484 1.00 0.01 H new ATOM 0 HD2 PRO A 98 15.831 -17.083 16.746 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.663 -15.542 16.807 1.00 0.01 H new ATOM 1521 N THR A 99 11.234 -14.996 15.635 1.00 0.01 N ATOM 1522 CA THR A 99 9.847 -15.557 15.716 1.00 0.01 C ATOM 1523 C THR A 99 9.021 -14.978 14.568 1.00 0.01 C ATOM 1524 O THR A 99 9.448 -14.070 13.885 1.00 0.01 O ATOM 1525 CB THR A 99 9.199 -15.163 17.047 1.00 0.00 C ATOM 1526 OG1 THR A 99 9.224 -13.749 17.183 1.00 0.01 O ATOM 1527 CG2 THR A 99 9.966 -15.805 18.203 1.00 0.00 C ATOM 0 H THR A 99 11.281 -13.977 15.640 1.00 0.01 H new ATOM 0 HA THR A 99 9.888 -16.644 15.648 1.00 0.01 H new ATOM 0 HB THR A 99 8.166 -15.512 17.066 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.314 -13.419 17.332 1.00 0.01 H new ATOM 0 HG21 THR A 99 9.503 -15.523 19.148 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.943 -16.890 18.097 1.00 0.00 H new ATOM 0 HG23 THR A 99 11.000 -15.461 18.189 1.00 0.00 H new ATOM 1535 N ILE A 100 7.847 -15.492 14.345 1.00 0.00 N ATOM 1536 CA ILE A 100 7.002 -14.967 13.239 1.00 0.01 C ATOM 1537 C ILE A 100 6.499 -13.567 13.609 1.00 0.01 C ATOM 1538 O ILE A 100 6.071 -12.802 12.770 1.00 0.01 O ATOM 1539 CB ILE A 100 5.819 -15.917 13.010 1.00 0.00 C ATOM 1540 CG1 ILE A 100 5.105 -15.558 11.695 1.00 0.01 C ATOM 1541 CG2 ILE A 100 4.828 -15.796 14.172 1.00 0.01 C ATOM 1542 CD1 ILE A 100 5.984 -15.908 10.483 1.00 0.01 C ATOM 0 H ILE A 100 7.434 -16.255 14.882 1.00 0.00 H new ATOM 0 HA ILE A 100 7.586 -14.902 12.321 1.00 0.01 H new ATOM 0 HB ILE A 100 6.192 -16.939 12.952 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.159 -16.096 11.631 1.00 0.01 H new ATOM 0 HG13 ILE A 100 4.868 -14.494 11.683 1.00 0.01 H new ATOM 0 HG21 ILE A 100 3.989 -16.472 14.007 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.327 -16.059 15.105 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.462 -14.771 14.233 1.00 0.01 H new ATOM 0 HD11 ILE A 100 5.459 -15.646 9.565 1.00 0.01 H new ATOM 0 HD12 ILE A 100 6.919 -15.350 10.538 1.00 0.01 H new ATOM 0 HD13 ILE A 100 6.198 -16.977 10.486 1.00 0.01 H new ATOM 1554 N THR A 101 6.546 -13.230 14.872 1.00 0.00 N ATOM 1555 CA THR A 101 6.069 -11.887 15.317 1.00 0.01 C ATOM 1556 C THR A 101 7.246 -10.908 15.366 1.00 0.01 C ATOM 1557 O THR A 101 7.120 -9.795 15.837 1.00 0.01 O ATOM 1558 CB THR A 101 5.461 -12.008 16.715 1.00 0.01 C ATOM 1559 OG1 THR A 101 6.447 -12.490 17.619 1.00 0.00 O ATOM 1560 CG2 THR A 101 4.283 -12.981 16.677 1.00 0.01 C ATOM 0 H THR A 101 6.896 -13.831 15.618 1.00 0.00 H new ATOM 0 HA THR A 101 5.321 -11.519 14.615 1.00 0.01 H new ATOM 0 HB THR A 101 5.112 -11.030 17.046 1.00 0.01 H new ATOM 0 HG1 THR A 101 6.059 -12.567 18.516 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.850 -13.067 17.674 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.528 -12.611 15.984 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.630 -13.960 16.347 1.00 0.01 H new ATOM 1568 N CYS A 102 8.390 -11.318 14.896 1.00 0.00 N ATOM 1569 CA CYS A 102 9.580 -10.418 14.928 1.00 0.00 C ATOM 1570 C CYS A 102 9.326 -9.147 14.108 1.00 0.01 C ATOM 1571 O CYS A 102 9.364 -8.049 14.625 1.00 0.01 O ATOM 1572 CB CYS A 102 10.786 -11.156 14.343 1.00 0.00 C ATOM 1573 SG CYS A 102 12.220 -10.051 14.325 1.00 0.01 S ATOM 0 H CYS A 102 8.555 -12.239 14.490 1.00 0.00 H new ATOM 0 HA CYS A 102 9.773 -10.135 15.963 1.00 0.00 H new ATOM 0 HB2 CYS A 102 11.005 -12.044 14.936 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.562 -11.495 13.332 1.00 0.00 H new ATOM 0 HG CYS A 102 12.506 -9.731 13.098 1.00 0.01 H new ATOM 1579 N PHE A 103 9.092 -9.285 12.826 1.00 0.00 N ATOM 1580 CA PHE A 103 8.868 -8.081 11.963 1.00 0.01 C ATOM 1581 C PHE A 103 7.373 -7.758 11.844 1.00 0.01 C ATOM 1582 O PHE A 103 6.999 -6.786 11.220 1.00 0.00 O ATOM 1583 CB PHE A 103 9.439 -8.356 10.568 1.00 0.00 C ATOM 1584 CG PHE A 103 10.949 -8.349 10.625 1.00 0.00 C ATOM 1585 CD1 PHE A 103 11.646 -9.511 10.977 1.00 0.01 C ATOM 1586 CD2 PHE A 103 11.653 -7.179 10.319 1.00 0.00 C ATOM 1587 CE1 PHE A 103 13.047 -9.501 11.026 1.00 0.01 C ATOM 1588 CE2 PHE A 103 13.052 -7.169 10.367 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.748 -8.328 10.720 1.00 0.00 C ATOM 0 H PHE A 103 9.046 -10.180 12.338 1.00 0.00 H new ATOM 0 HA PHE A 103 9.368 -7.227 12.419 1.00 0.01 H new ATOM 0 HB2 PHE A 103 9.084 -9.320 10.203 1.00 0.00 H new ATOM 0 HB3 PHE A 103 9.089 -7.600 9.866 1.00 0.00 H new ATOM 0 HD1 PHE A 103 11.104 -10.415 11.211 1.00 0.01 H new ATOM 0 HD2 PHE A 103 11.116 -6.283 10.045 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.585 -10.397 11.299 1.00 0.01 H new ATOM 0 HE2 PHE A 103 13.594 -6.265 10.131 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.827 -8.319 10.757 1.00 0.00 H new ATOM 1599 N ASP A 104 6.510 -8.545 12.430 1.00 0.01 N ATOM 1600 CA ASP A 104 5.053 -8.236 12.328 1.00 0.01 C ATOM 1601 C ASP A 104 4.785 -6.870 12.954 1.00 0.00 C ATOM 1602 O ASP A 104 4.000 -6.086 12.459 1.00 0.01 O ATOM 1603 CB ASP A 104 4.229 -9.287 13.071 1.00 0.01 C ATOM 1604 CG ASP A 104 4.289 -10.614 12.315 1.00 0.01 C ATOM 1605 OD1 ASP A 104 4.814 -10.619 11.215 1.00 0.00 O ATOM 1606 OD2 ASP A 104 3.818 -11.604 12.852 1.00 0.01 O ATOM 0 H ASP A 104 6.746 -9.378 12.969 1.00 0.01 H new ATOM 0 HA ASP A 104 4.768 -8.236 11.276 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.613 -9.416 14.083 1.00 0.01 H new ATOM 0 HB3 ASP A 104 3.195 -8.955 13.162 1.00 0.01 H new ATOM 1611 N GLU A 105 5.433 -6.586 14.048 1.00 0.00 N ATOM 1612 CA GLU A 105 5.224 -5.280 14.727 1.00 0.00 C ATOM 1613 C GLU A 105 5.646 -4.156 13.786 1.00 0.00 C ATOM 1614 O GLU A 105 5.039 -3.104 13.743 1.00 0.01 O ATOM 1615 CB GLU A 105 6.079 -5.228 15.993 1.00 0.00 C ATOM 1616 CG GLU A 105 5.510 -6.201 17.027 1.00 0.00 C ATOM 1617 CD GLU A 105 6.363 -6.152 18.296 1.00 0.01 C ATOM 1618 OE1 GLU A 105 7.375 -5.470 18.280 1.00 0.00 O ATOM 1619 OE2 GLU A 105 5.992 -6.801 19.260 1.00 0.01 O ATOM 0 H GLU A 105 6.102 -7.207 14.503 1.00 0.00 H new ATOM 0 HA GLU A 105 4.173 -5.164 14.991 1.00 0.00 H new ATOM 0 HB2 GLU A 105 7.111 -5.490 15.760 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.090 -4.216 16.397 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.478 -5.939 17.259 1.00 0.00 H new ATOM 0 HG3 GLU A 105 5.499 -7.213 16.622 1.00 0.00 H new ATOM 1626 N ALA A 106 6.686 -4.370 13.031 1.00 0.00 N ATOM 1627 CA ALA A 106 7.152 -3.316 12.095 1.00 0.00 C ATOM 1628 C ALA A 106 6.115 -3.121 10.990 1.00 0.00 C ATOM 1629 O ALA A 106 5.663 -2.024 10.747 1.00 0.00 O ATOM 1630 CB ALA A 106 8.476 -3.747 11.471 1.00 0.00 C ATOM 0 H ALA A 106 7.233 -5.231 13.023 1.00 0.00 H new ATOM 0 HA ALA A 106 7.287 -2.380 12.638 1.00 0.00 H new ATOM 0 HB1 ALA A 106 8.822 -2.976 10.783 1.00 0.00 H new ATOM 0 HB2 ALA A 106 9.218 -3.892 12.256 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.335 -4.681 10.928 1.00 0.00 H new ATOM 1636 N GLN A 107 5.722 -4.175 10.324 1.00 0.00 N ATOM 1637 CA GLN A 107 4.709 -4.021 9.241 1.00 0.00 C ATOM 1638 C GLN A 107 3.442 -3.427 9.843 1.00 0.00 C ATOM 1639 O GLN A 107 2.777 -2.611 9.236 1.00 0.00 O ATOM 1640 CB GLN A 107 4.393 -5.381 8.609 1.00 0.00 C ATOM 1641 CG GLN A 107 3.375 -5.186 7.481 1.00 0.00 C ATOM 1642 CD GLN A 107 3.155 -6.508 6.745 1.00 0.00 C ATOM 1643 OE1 GLN A 107 2.061 -7.037 6.730 1.00 0.00 O ATOM 1644 NE2 GLN A 107 4.157 -7.069 6.125 1.00 0.00 N ATOM 0 H GLN A 107 6.055 -5.126 10.481 1.00 0.00 H new ATOM 0 HA GLN A 107 5.101 -3.364 8.465 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.304 -5.835 8.219 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.995 -6.062 9.361 1.00 0.00 H new ATOM 0 HG2 GLN A 107 2.431 -4.826 7.890 1.00 0.00 H new ATOM 0 HG3 GLN A 107 3.731 -4.427 6.785 1.00 0.00 H new ATOM 0 HE21 GLN A 107 5.076 -6.627 6.136 1.00 0.00 H new ATOM 0 HE22 GLN A 107 4.021 -7.950 5.629 1.00 0.00 H new ATOM 1653 N LYS A 108 3.108 -3.819 11.040 1.00 0.00 N ATOM 1654 CA LYS A 108 1.892 -3.264 11.684 1.00 0.00 C ATOM 1655 C LYS A 108 2.069 -1.750 11.794 1.00 0.00 C ATOM 1656 O LYS A 108 1.155 -0.984 11.564 1.00 0.00 O ATOM 1657 CB LYS A 108 1.743 -3.874 13.081 1.00 0.00 C ATOM 1658 CG LYS A 108 0.491 -3.318 13.765 1.00 0.00 C ATOM 1659 CD LYS A 108 0.365 -3.937 15.157 1.00 0.01 C ATOM 1660 CE LYS A 108 -0.883 -3.390 15.851 1.00 0.00 C ATOM 1661 NZ LYS A 108 -1.139 -4.169 17.096 1.00 0.00 N ATOM 0 H LYS A 108 3.625 -4.499 11.597 1.00 0.00 H new ATOM 0 HA LYS A 108 1.002 -3.496 11.100 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.675 -4.959 13.007 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.625 -3.649 13.681 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.554 -2.232 13.841 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.394 -3.545 13.171 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.304 -5.022 15.079 1.00 0.01 H new ATOM 0 HD3 LYS A 108 1.252 -3.709 15.749 1.00 0.01 H new ATOM 0 HE2 LYS A 108 -0.747 -2.335 16.090 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.742 -3.457 15.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.988 -3.798 17.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.286 -5.170 16.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.322 -4.083 17.733 1.00 0.00 H new ATOM 1675 N LYS A 109 3.252 -1.316 12.122 1.00 0.01 N ATOM 1676 CA LYS A 109 3.509 0.144 12.222 1.00 0.00 C ATOM 1677 C LYS A 109 3.421 0.761 10.822 1.00 0.00 C ATOM 1678 O LYS A 109 2.971 1.875 10.652 1.00 0.00 O ATOM 1679 CB LYS A 109 4.908 0.377 12.797 1.00 0.00 C ATOM 1680 CG LYS A 109 4.955 -0.022 14.280 1.00 0.00 C ATOM 1681 CD LYS A 109 4.361 1.088 15.160 1.00 0.01 C ATOM 1682 CE LYS A 109 4.634 0.761 16.630 1.00 0.00 C ATOM 1683 NZ LYS A 109 4.044 -0.568 16.957 1.00 0.01 N ATOM 0 H LYS A 109 4.054 -1.912 12.326 1.00 0.01 H new ATOM 0 HA LYS A 109 2.770 0.606 12.876 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.640 -0.204 12.235 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.182 1.426 12.688 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.400 -0.948 14.430 1.00 0.00 H new ATOM 0 HG3 LYS A 109 5.986 -0.216 14.577 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.802 2.050 14.901 1.00 0.01 H new ATOM 0 HD3 LYS A 109 3.288 1.172 14.986 1.00 0.01 H new ATOM 0 HE2 LYS A 109 5.707 0.752 16.819 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.204 1.530 17.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.968 -0.670 17.989 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 3.098 -0.642 16.531 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 4.654 -1.321 16.579 1.00 0.01 H new ATOM 1697 N ILE A 110 3.848 0.039 9.815 1.00 0.00 N ATOM 1698 CA ILE A 110 3.786 0.583 8.424 1.00 0.00 C ATOM 1699 C ILE A 110 2.325 0.791 8.042 1.00 0.00 C ATOM 1700 O ILE A 110 1.972 1.777 7.427 1.00 0.00 O ATOM 1701 CB ILE A 110 4.431 -0.408 7.445 1.00 0.00 C ATOM 1702 CG1 ILE A 110 5.933 -0.578 7.752 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.249 0.089 6.008 1.00 0.00 C ATOM 1704 CD1 ILE A 110 6.661 0.775 7.736 1.00 0.00 C ATOM 0 H ILE A 110 4.236 -0.901 9.896 1.00 0.00 H new ATOM 0 HA ILE A 110 4.325 1.530 8.378 1.00 0.00 H new ATOM 0 HB ILE A 110 3.942 -1.375 7.559 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.056 -1.049 8.727 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.384 -1.245 7.017 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.709 -0.618 5.317 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.186 0.175 5.785 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.723 1.064 5.898 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.718 0.622 7.956 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.557 1.232 6.752 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.225 1.432 8.489 1.00 0.00 H new ATOM 1716 N PHE A 111 1.464 -0.113 8.413 1.00 0.00 N ATOM 1717 CA PHE A 111 0.026 0.068 8.076 1.00 0.00 C ATOM 1718 C PHE A 111 -0.423 1.395 8.689 1.00 0.00 C ATOM 1719 O PHE A 111 -0.951 2.258 8.022 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.791 -1.089 8.698 1.00 0.00 C ATOM 1721 CG PHE A 111 -1.106 -2.151 7.665 1.00 0.00 C ATOM 1722 CD1 PHE A 111 -0.100 -2.636 6.823 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -2.412 -2.653 7.557 1.00 0.00 C ATOM 1724 CE1 PHE A 111 -0.399 -3.624 5.876 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -2.709 -3.636 6.611 1.00 0.00 C ATOM 1726 CZ PHE A 111 -1.704 -4.123 5.773 1.00 0.00 C ATOM 0 H PHE A 111 1.690 -0.962 8.930 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.126 0.070 6.997 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -0.231 -1.533 9.521 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.718 -0.699 9.118 1.00 0.00 H new ATOM 0 HD1 PHE A 111 0.905 -2.250 6.903 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.189 -2.278 8.207 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.376 -4.001 5.225 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.715 -4.019 6.528 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.933 -4.886 5.044 1.00 0.00 H new ATOM 1736 N ASN A 112 -0.202 1.554 9.959 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.600 2.809 10.642 1.00 0.00 C ATOM 1738 C ASN A 112 0.164 3.991 10.041 1.00 0.00 C ATOM 1739 O ASN A 112 -0.371 5.065 9.871 1.00 0.00 O ATOM 1740 CB ASN A 112 -0.270 2.691 12.129 1.00 0.00 C ATOM 1741 CG ASN A 112 -1.208 1.666 12.767 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -2.390 1.652 12.488 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -0.728 0.799 13.615 1.00 0.00 N ATOM 0 H ASN A 112 0.243 0.860 10.560 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.670 2.973 10.511 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.768 2.385 12.261 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.382 3.659 12.617 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.345 0.109 14.044 1.00 0.00 H new ATOM 0 HD22 ASN A 112 0.265 0.811 13.849 1.00 0.00 H new ATOM 1750 N LEU A 113 1.418 3.810 9.743 1.00 0.00 N ATOM 1751 CA LEU A 113 2.220 4.937 9.186 1.00 0.00 C ATOM 1752 C LEU A 113 1.574 5.470 7.903 1.00 0.00 C ATOM 1753 O LEU A 113 1.188 6.622 7.829 1.00 0.00 O ATOM 1754 CB LEU A 113 3.637 4.429 8.873 1.00 0.00 C ATOM 1755 CG LEU A 113 4.646 5.590 8.769 1.00 0.00 C ATOM 1756 CD1 LEU A 113 4.215 6.592 7.691 1.00 0.00 C ATOM 1757 CD2 LEU A 113 4.791 6.309 10.125 1.00 0.00 C ATOM 0 H LEU A 113 1.924 2.932 9.860 1.00 0.00 H new ATOM 0 HA LEU A 113 2.261 5.745 9.916 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.957 3.737 9.652 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.626 3.871 7.937 1.00 0.00 H new ATOM 0 HG LEU A 113 5.612 5.169 8.489 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.942 7.402 7.636 1.00 0.00 H new ATOM 0 HD12 LEU A 113 4.160 6.087 6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.236 7.000 7.944 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.508 7.125 10.029 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.824 6.709 10.430 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.144 5.602 10.876 1.00 0.00 H new ATOM 1769 N MET A 114 1.465 4.663 6.884 1.00 0.00 N ATOM 1770 CA MET A 114 0.865 5.173 5.623 1.00 0.00 C ATOM 1771 C MET A 114 -0.634 5.441 5.807 1.00 0.00 C ATOM 1772 O MET A 114 -1.176 6.352 5.223 1.00 0.00 O ATOM 1773 CB MET A 114 1.108 4.193 4.464 1.00 0.00 C ATOM 1774 CG MET A 114 0.559 2.790 4.777 1.00 0.00 C ATOM 1775 SD MET A 114 -0.024 2.041 3.228 1.00 0.00 S ATOM 1776 CE MET A 114 0.831 0.447 3.339 1.00 0.00 C ATOM 0 H MET A 114 1.761 3.687 6.870 1.00 0.00 H new ATOM 0 HA MET A 114 1.351 6.116 5.372 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.634 4.575 3.560 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.177 4.128 4.261 1.00 0.00 H new ATOM 0 HG2 MET A 114 1.335 2.172 5.228 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.257 2.854 5.497 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.361 -0.266 2.661 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.878 0.575 3.063 1.00 0.00 H new ATOM 0 HE3 MET A 114 0.769 0.071 4.360 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.317 4.676 6.613 1.00 0.00 N ATOM 1787 CA GLU A 115 -2.777 4.936 6.800 1.00 0.00 C ATOM 1788 C GLU A 115 -2.979 6.352 7.355 1.00 0.00 C ATOM 1789 O GLU A 115 -3.887 7.059 6.976 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.376 3.912 7.774 1.00 0.00 C ATOM 1791 CG GLU A 115 -3.643 2.591 7.044 1.00 0.01 C ATOM 1792 CD GLU A 115 -4.081 1.531 8.055 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.047 1.820 9.239 1.00 0.01 O ATOM 1794 OE2 GLU A 115 -4.442 0.447 7.628 1.00 0.00 O ATOM 0 H GLU A 115 -0.937 3.893 7.144 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.280 4.846 5.837 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.692 3.746 8.606 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -4.304 4.298 8.196 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -4.416 2.730 6.289 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -2.744 2.263 6.523 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.148 6.773 8.260 1.00 0.01 N ATOM 1802 CA LYS A 116 -2.311 8.137 8.836 1.00 0.00 C ATOM 1803 C LYS A 116 -1.972 9.220 7.809 1.00 0.01 C ATOM 1804 O LYS A 116 -2.617 10.248 7.761 1.00 0.00 O ATOM 1805 CB LYS A 116 -1.401 8.286 10.054 1.00 0.00 C ATOM 1806 CG LYS A 116 -1.940 7.420 11.193 1.00 0.00 C ATOM 1807 CD LYS A 116 -1.034 7.562 12.413 1.00 0.00 C ATOM 1808 CE LYS A 116 -1.588 6.713 13.555 1.00 0.00 C ATOM 1809 NZ LYS A 116 -3.025 7.051 13.757 1.00 0.00 N ATOM 0 H LYS A 116 -1.363 6.235 8.628 1.00 0.01 H new ATOM 0 HA LYS A 116 -3.353 8.261 9.129 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.384 7.985 9.802 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -1.357 9.330 10.364 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.957 7.723 11.444 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.986 6.377 10.880 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.021 7.244 12.167 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.975 8.607 12.717 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -1.479 5.653 13.324 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -1.025 6.899 14.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -3.299 6.833 14.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -3.172 8.064 13.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -3.608 6.492 13.102 1.00 0.00 H new ATOM 1823 N ASP A 117 -0.949 9.026 7.012 1.00 0.00 N ATOM 1824 CA ASP A 117 -0.562 10.085 6.020 1.00 0.00 C ATOM 1825 C ASP A 117 -1.002 9.730 4.595 1.00 0.00 C ATOM 1826 O ASP A 117 -1.368 10.596 3.829 1.00 0.00 O ATOM 1827 CB ASP A 117 0.960 10.238 6.036 1.00 0.00 C ATOM 1828 CG ASP A 117 1.393 10.881 7.354 1.00 0.00 C ATOM 1829 OD1 ASP A 117 0.552 11.477 8.005 1.00 0.00 O ATOM 1830 OD2 ASP A 117 2.560 10.764 7.690 1.00 0.00 O ATOM 0 H ASP A 117 -0.368 8.188 7.003 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.060 11.011 6.306 1.00 0.00 H new ATOM 0 HB2 ASP A 117 1.435 9.264 5.921 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.283 10.852 5.196 1.00 0.00 H new ATOM 1835 N SER A 118 -0.937 8.487 4.209 1.00 0.00 N ATOM 1836 CA SER A 118 -1.317 8.131 2.807 1.00 0.00 C ATOM 1837 C SER A 118 -2.834 8.069 2.611 1.00 0.00 C ATOM 1838 O SER A 118 -3.349 8.629 1.672 1.00 0.01 O ATOM 1839 CB SER A 118 -0.715 6.777 2.441 1.00 0.00 C ATOM 1840 OG SER A 118 -1.515 5.740 2.992 1.00 0.00 O ATOM 0 H SER A 118 -0.641 7.706 4.795 1.00 0.00 H new ATOM 0 HA SER A 118 -0.927 8.916 2.159 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.660 6.672 1.357 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.304 6.705 2.820 1.00 0.00 H new ATOM 0 HG SER A 118 -1.751 5.965 3.916 1.00 0.00 H new ATOM 1846 N TYR A 119 -3.556 7.380 3.455 1.00 0.01 N ATOM 1847 CA TYR A 119 -5.034 7.281 3.240 1.00 0.00 C ATOM 1848 C TYR A 119 -5.658 8.678 3.175 1.00 0.01 C ATOM 1849 O TYR A 119 -6.393 8.992 2.261 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.677 6.449 4.375 1.00 0.00 C ATOM 1851 CG TYR A 119 -6.143 5.121 3.823 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -5.255 4.318 3.100 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -7.468 4.715 4.002 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.693 3.109 2.554 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.901 3.502 3.462 1.00 0.01 C ATOM 1856 CZ TYR A 119 -7.016 2.702 2.736 1.00 0.00 C ATOM 1857 OH TYR A 119 -7.452 1.518 2.189 1.00 0.00 O ATOM 0 H TYR A 119 -3.196 6.888 4.272 1.00 0.01 H new ATOM 0 HA TYR A 119 -5.221 6.780 2.290 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.956 6.289 5.177 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.518 6.991 4.806 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -4.231 4.633 2.964 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -8.155 5.337 4.556 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -5.009 2.490 1.992 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.922 3.182 3.606 1.00 0.01 H new ATOM 0 HH TYR A 119 -8.391 1.606 1.924 1.00 0.00 H new ATOM 1867 N ARG A 120 -5.374 9.517 4.120 1.00 0.00 N ATOM 1868 CA ARG A 120 -5.964 10.882 4.080 1.00 0.01 C ATOM 1869 C ARG A 120 -5.511 11.571 2.797 1.00 0.00 C ATOM 1870 O ARG A 120 -6.289 12.197 2.102 1.00 0.00 O ATOM 1871 CB ARG A 120 -5.468 11.675 5.282 1.00 0.00 C ATOM 1872 CG ARG A 120 -6.099 11.112 6.553 1.00 0.01 C ATOM 1873 CD ARG A 120 -5.597 11.911 7.750 1.00 0.00 C ATOM 1874 NE ARG A 120 -6.205 11.371 8.996 1.00 0.01 N ATOM 1875 CZ ARG A 120 -5.719 11.710 10.157 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -4.682 12.501 10.228 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -6.268 11.256 11.249 1.00 0.01 N ATOM 0 H ARG A 120 -4.764 9.324 4.915 1.00 0.00 H new ATOM 0 HA ARG A 120 -7.052 10.823 4.107 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -4.381 11.619 5.346 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -5.727 12.728 5.169 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.186 11.169 6.491 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -5.841 10.059 6.668 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -4.510 11.854 7.809 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -5.856 12.963 7.633 1.00 0.00 H new ATOM 0 HE ARG A 120 -7.001 10.736 8.942 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -4.251 12.855 9.374 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -4.303 12.765 11.138 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -7.076 10.637 11.194 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -5.889 11.520 12.158 1.00 0.01 H new ATOM 1891 N ARG A 121 -4.264 11.438 2.468 1.00 0.00 N ATOM 1892 CA ARG A 121 -3.756 12.060 1.223 1.00 0.01 C ATOM 1893 C ARG A 121 -4.330 11.324 0.006 1.00 0.01 C ATOM 1894 O ARG A 121 -4.679 11.938 -0.973 1.00 0.01 O ATOM 1895 CB ARG A 121 -2.227 12.013 1.218 1.00 0.01 C ATOM 1896 CG ARG A 121 -1.690 13.008 2.255 1.00 0.00 C ATOM 1897 CD ARG A 121 -0.161 12.941 2.305 1.00 0.00 C ATOM 1898 NE ARG A 121 0.399 13.115 0.934 1.00 0.01 N ATOM 1899 CZ ARG A 121 1.666 13.387 0.778 1.00 0.01 C ATOM 1900 NH1 ARG A 121 2.441 13.520 1.820 1.00 0.00 N ATOM 1901 NH2 ARG A 121 2.161 13.529 -0.422 1.00 0.01 N ATOM 0 H ARG A 121 -3.571 10.923 3.010 1.00 0.00 H new ATOM 0 HA ARG A 121 -4.072 13.102 1.174 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.881 11.006 1.449 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.847 12.261 0.227 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -2.009 14.019 2.000 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -2.104 12.781 3.237 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.224 13.717 2.966 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.157 11.984 2.718 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.207 13.022 0.119 1.00 0.01 H new ATOM 0 HH11 ARG A 121 2.057 13.411 2.759 1.00 0.00 H new ATOM 0 HH12 ARG A 121 3.431 13.733 1.696 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.557 13.427 -1.238 1.00 0.01 H new ATOM 0 HH22 ARG A 121 3.151 13.742 -0.543 1.00 0.01 H new ATOM 1915 N PHE A 122 -4.443 10.018 0.059 1.00 0.01 N ATOM 1916 CA PHE A 122 -5.002 9.276 -1.113 1.00 0.01 C ATOM 1917 C PHE A 122 -6.408 9.802 -1.409 1.00 0.01 C ATOM 1918 O PHE A 122 -6.754 10.051 -2.536 1.00 0.01 O ATOM 1919 CB PHE A 122 -5.062 7.758 -0.797 1.00 0.00 C ATOM 1920 CG PHE A 122 -4.102 6.989 -1.677 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -4.509 6.580 -2.951 1.00 0.00 C ATOM 1922 CD2 PHE A 122 -2.814 6.689 -1.221 1.00 0.01 C ATOM 1923 CE1 PHE A 122 -3.630 5.868 -3.771 1.00 0.00 C ATOM 1924 CE2 PHE A 122 -1.932 5.975 -2.040 1.00 0.01 C ATOM 1925 CZ PHE A 122 -2.342 5.565 -3.316 1.00 0.00 C ATOM 0 H PHE A 122 -4.175 9.440 0.855 1.00 0.01 H new ATOM 0 HA PHE A 122 -4.363 9.428 -1.983 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -4.816 7.590 0.251 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -6.077 7.390 -0.949 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -5.503 6.815 -3.301 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -2.501 7.008 -0.238 1.00 0.01 H new ATOM 0 HE1 PHE A 122 -3.944 5.552 -4.755 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -0.938 5.740 -1.690 1.00 0.01 H new ATOM 0 HZ PHE A 122 -1.662 5.014 -3.949 1.00 0.00 H new ATOM 1935 N LEU A 123 -7.217 9.980 -0.410 1.00 0.00 N ATOM 1936 CA LEU A 123 -8.586 10.489 -0.666 1.00 0.00 C ATOM 1937 C LEU A 123 -8.487 11.864 -1.333 1.00 0.01 C ATOM 1938 O LEU A 123 -9.265 12.196 -2.204 1.00 0.00 O ATOM 1939 CB LEU A 123 -9.346 10.608 0.659 1.00 0.00 C ATOM 1940 CG LEU A 123 -9.545 9.211 1.267 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -10.136 9.349 2.674 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -10.489 8.369 0.381 1.00 0.01 C ATOM 0 H LEU A 123 -6.992 9.796 0.568 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.121 9.801 -1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.792 11.242 1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -10.312 11.085 0.494 1.00 0.00 H new ATOM 0 HG LEU A 123 -8.581 8.706 1.324 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -10.278 8.359 3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.454 9.925 3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.096 9.861 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -10.620 7.382 0.825 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -11.457 8.865 0.306 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -10.057 8.265 -0.614 1.00 0.01 H new ATOM 1954 N LYS A 124 -7.534 12.666 -0.927 1.00 0.01 N ATOM 1955 CA LYS A 124 -7.378 14.028 -1.527 1.00 0.01 C ATOM 1956 C LYS A 124 -6.148 14.056 -2.449 1.00 0.01 C ATOM 1957 O LYS A 124 -5.618 15.108 -2.746 1.00 0.01 O ATOM 1958 CB LYS A 124 -7.159 15.030 -0.393 1.00 0.01 C ATOM 1959 CG LYS A 124 -8.359 15.002 0.556 1.00 0.01 C ATOM 1960 CD LYS A 124 -8.130 16.006 1.686 1.00 0.01 C ATOM 1961 CE LYS A 124 -9.321 15.989 2.644 1.00 0.01 C ATOM 1962 NZ LYS A 124 -8.981 16.774 3.864 1.00 0.01 N ATOM 0 H LYS A 124 -6.854 12.435 -0.203 1.00 0.01 H new ATOM 0 HA LYS A 124 -8.269 14.279 -2.103 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -6.247 14.785 0.151 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -7.028 16.033 -0.800 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -9.272 15.248 0.014 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -8.491 14.000 0.965 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -7.215 15.759 2.224 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -7.997 17.006 1.274 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -10.200 16.413 2.158 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -9.570 14.963 2.915 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -9.789 16.765 4.519 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -8.153 16.351 4.330 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -8.763 17.755 3.596 1.00 0.01 H new ATOM 1976 N SER A 125 -5.675 12.917 -2.892 1.00 0.00 N ATOM 1977 CA SER A 125 -4.467 12.907 -3.775 1.00 0.01 C ATOM 1978 C SER A 125 -4.859 13.205 -5.216 1.00 0.01 C ATOM 1979 O SER A 125 -5.973 12.966 -5.636 1.00 0.01 O ATOM 1980 CB SER A 125 -3.790 11.536 -3.731 1.00 0.01 C ATOM 1981 OG SER A 125 -4.756 10.529 -3.998 1.00 0.01 O ATOM 0 H SER A 125 -6.069 12.000 -2.683 1.00 0.00 H new ATOM 0 HA SER A 125 -3.780 13.673 -3.414 1.00 0.01 H new ATOM 0 HB2 SER A 125 -2.987 11.490 -4.466 1.00 0.01 H new ATOM 0 HB3 SER A 125 -3.337 11.372 -2.753 1.00 0.01 H new ATOM 0 HG SER A 125 -5.555 10.690 -3.454 1.00 0.01 H new ATOM 1987 N ARG A 126 -3.935 13.714 -5.979 1.00 0.01 N ATOM 1988 CA ARG A 126 -4.225 14.018 -7.404 1.00 0.01 C ATOM 1989 C ARG A 126 -4.533 12.714 -8.144 1.00 0.00 C ATOM 1990 O ARG A 126 -5.415 12.652 -8.977 1.00 0.00 O ATOM 1991 CB ARG A 126 -2.998 14.680 -8.030 1.00 0.01 C ATOM 1992 CG ARG A 126 -3.294 15.059 -9.482 1.00 0.01 C ATOM 1993 CD ARG A 126 -2.057 15.716 -10.092 1.00 0.01 C ATOM 1994 NE ARG A 126 -0.973 14.699 -10.213 1.00 0.00 N ATOM 1995 CZ ARG A 126 0.091 14.952 -10.925 1.00 0.01 C ATOM 1996 NH1 ARG A 126 0.228 16.111 -11.507 1.00 0.01 N ATOM 1997 NH2 ARG A 126 1.021 14.045 -11.047 1.00 0.01 N ATOM 0 H ARG A 126 -2.987 13.933 -5.674 1.00 0.01 H new ATOM 0 HA ARG A 126 -5.082 14.688 -7.475 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -2.724 15.569 -7.462 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -2.147 14.000 -7.989 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -3.568 14.172 -10.053 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -4.142 15.742 -9.526 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -2.296 16.129 -11.072 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -1.726 16.546 -9.468 1.00 0.01 H new ATOM 0 HE ARG A 126 -1.064 13.801 -9.737 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -0.497 16.821 -11.406 1.00 0.01 H new ATOM 0 HH12 ARG A 126 1.060 16.307 -12.063 1.00 0.01 H new ATOM 0 HH21 ARG A 126 0.915 13.141 -10.587 1.00 0.01 H new ATOM 0 HH22 ARG A 126 1.854 14.240 -11.603 1.00 0.01 H new ATOM 2011 N PHE A 127 -3.802 11.669 -7.850 1.00 0.01 N ATOM 2012 CA PHE A 127 -4.042 10.365 -8.538 1.00 0.01 C ATOM 2013 C PHE A 127 -5.443 9.853 -8.203 1.00 0.01 C ATOM 2014 O PHE A 127 -6.207 9.479 -9.071 1.00 0.00 O ATOM 2015 CB PHE A 127 -3.021 9.334 -8.058 1.00 0.01 C ATOM 2016 CG PHE A 127 -1.636 9.750 -8.482 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -0.858 10.558 -7.644 1.00 0.00 C ATOM 2018 CD2 PHE A 127 -1.128 9.327 -9.715 1.00 0.01 C ATOM 2019 CE1 PHE A 127 0.428 10.942 -8.040 1.00 0.00 C ATOM 2020 CE2 PHE A 127 0.156 9.710 -10.112 1.00 0.01 C ATOM 2021 CZ PHE A 127 0.934 10.517 -9.275 1.00 0.00 C ATOM 0 H PHE A 127 -3.049 11.663 -7.162 1.00 0.01 H new ATOM 0 HA PHE A 127 -3.947 10.513 -9.614 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -3.067 9.242 -6.973 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -3.259 8.354 -8.471 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -1.250 10.885 -6.692 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -1.729 8.704 -10.361 1.00 0.01 H new ATOM 0 HE1 PHE A 127 1.029 11.565 -7.395 1.00 0.00 H new ATOM 0 HE2 PHE A 127 0.547 9.383 -11.064 1.00 0.01 H new ATOM 0 HZ PHE A 127 1.926 10.813 -9.582 1.00 0.00 H new ATOM 2031 N TYR A 128 -5.775 9.824 -6.942 1.00 0.01 N ATOM 2032 CA TYR A 128 -7.117 9.333 -6.528 1.00 0.01 C ATOM 2033 C TYR A 128 -8.191 10.202 -7.164 1.00 0.01 C ATOM 2034 O TYR A 128 -9.152 9.714 -7.722 1.00 0.00 O ATOM 2035 CB TYR A 128 -7.235 9.423 -5.014 1.00 0.00 C ATOM 2036 CG TYR A 128 -8.513 8.758 -4.551 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -8.514 7.396 -4.229 1.00 0.01 C ATOM 2038 CD2 TYR A 128 -9.691 9.503 -4.436 1.00 0.00 C ATOM 2039 CE1 TYR A 128 -9.693 6.778 -3.794 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -10.871 8.886 -4.003 1.00 0.01 C ATOM 2041 CZ TYR A 128 -10.872 7.524 -3.680 1.00 0.01 C ATOM 2042 OH TYR A 128 -12.034 6.916 -3.251 1.00 0.01 O ATOM 0 H TYR A 128 -5.170 10.121 -6.177 1.00 0.01 H new ATOM 0 HA TYR A 128 -7.244 8.299 -6.850 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -6.376 8.943 -4.545 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.226 10.467 -4.702 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -7.604 6.821 -4.316 1.00 0.01 H new ATOM 0 HD2 TYR A 128 -9.691 10.555 -4.681 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -9.693 5.727 -3.547 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -11.781 9.461 -3.918 1.00 0.01 H new ATOM 0 HH TYR A 128 -12.759 7.575 -3.227 1.00 0.01 H new ATOM 2052 N LEU A 129 -8.034 11.493 -7.082 1.00 0.01 N ATOM 2053 CA LEU A 129 -9.046 12.395 -7.684 1.00 0.01 C ATOM 2054 C LEU A 129 -9.111 12.101 -9.179 1.00 0.01 C ATOM 2055 O LEU A 129 -10.173 11.951 -9.747 1.00 0.01 O ATOM 2056 CB LEU A 129 -8.635 13.851 -7.450 1.00 0.01 C ATOM 2057 CG LEU A 129 -8.774 14.205 -5.960 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -8.127 15.572 -5.713 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -10.264 14.252 -5.551 1.00 0.01 C ATOM 0 H LEU A 129 -7.250 11.959 -6.625 1.00 0.01 H new ATOM 0 HA LEU A 129 -10.024 12.233 -7.230 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -7.605 14.003 -7.774 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -9.259 14.514 -8.049 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.277 13.442 -5.361 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -8.220 15.833 -4.659 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -7.072 15.530 -5.985 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -8.628 16.327 -6.319 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -10.343 14.504 -4.493 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -10.780 15.007 -6.144 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -10.721 13.278 -5.727 1.00 0.01 H new ATOM 2071 N ASP A 130 -7.979 11.997 -9.822 1.00 0.56 N ATOM 2072 CA ASP A 130 -7.985 11.685 -11.278 1.00 0.91 C ATOM 2073 C ASP A 130 -8.675 10.336 -11.491 1.00 1.05 C ATOM 2074 O ASP A 130 -9.500 10.178 -12.370 1.00 1.91 O ATOM 2075 CB ASP A 130 -6.548 11.613 -11.804 1.00 2.23 C ATOM 2076 CG ASP A 130 -5.935 13.015 -11.813 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -6.693 13.970 -11.793 1.00 3.36 O ATOM 2078 OD2 ASP A 130 -4.718 13.110 -11.850 1.00 3.77 O ATOM 0 H ASP A 130 -7.056 12.114 -9.404 1.00 0.56 H new ATOM 0 HA ASP A 130 -8.519 12.467 -11.817 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -5.953 10.949 -11.177 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -6.539 11.194 -12.810 1.00 2.23 H new ATOM 2083 N LEU A 131 -8.343 9.362 -10.684 1.00 1.16 N ATOM 2084 CA LEU A 131 -8.974 8.020 -10.820 1.00 1.68 C ATOM 2085 C LEU A 131 -10.439 8.107 -10.392 1.00 2.00 C ATOM 2086 O LEU A 131 -11.306 7.494 -10.983 1.00 2.21 O ATOM 2087 CB LEU A 131 -8.238 7.007 -9.935 1.00 2.07 C ATOM 2088 CG LEU A 131 -6.829 6.746 -10.493 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -6.040 5.891 -9.494 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -6.913 6.016 -11.850 1.00 3.54 C ATOM 0 H LEU A 131 -7.658 9.441 -9.933 1.00 1.16 H new ATOM 0 HA LEU A 131 -8.914 7.694 -11.858 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -8.170 7.385 -8.915 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -8.800 6.074 -9.892 1.00 2.07 H new ATOM 0 HG LEU A 131 -6.323 7.700 -10.643 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -5.040 5.703 -9.886 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -5.964 6.419 -8.543 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -6.554 4.942 -9.342 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -5.907 5.839 -12.231 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -7.424 5.062 -11.719 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -7.467 6.630 -12.560 1.00 3.54 H new ATOM 2102 N THR A 132 -10.716 8.869 -9.363 1.00 2.68 N ATOM 2103 CA THR A 132 -12.119 9.017 -8.872 1.00 3.30 C ATOM 2104 C THR A 132 -12.636 10.408 -9.230 1.00 3.72 C ATOM 2105 O THR A 132 -12.751 11.275 -8.387 1.00 3.94 O ATOM 2106 CB THR A 132 -12.146 8.851 -7.346 1.00 3.80 C ATOM 2107 OG1 THR A 132 -11.614 10.022 -6.744 1.00 4.04 O ATOM 2108 CG2 THR A 132 -11.300 7.635 -6.922 1.00 4.63 C ATOM 0 H THR A 132 -10.022 9.400 -8.837 1.00 2.68 H new ATOM 0 HA THR A 132 -12.748 8.258 -9.337 1.00 3.30 H new ATOM 0 HB THR A 132 -13.175 8.694 -7.024 1.00 3.80 H new ATOM 0 HG1 THR A 132 -11.264 9.803 -5.855 1.00 4.04 H new ATOM 0 HG21 THR A 132 -11.330 7.531 -5.837 1.00 4.63 H new ATOM 0 HG22 THR A 132 -11.702 6.733 -7.384 1.00 4.63 H new ATOM 0 HG23 THR A 132 -10.269 7.779 -7.245 1.00 4.63 H new ATOM 2116 N ASN A 133 -12.956 10.632 -10.472 1.00 4.23 N ATOM 2117 CA ASN A 133 -13.472 11.972 -10.868 1.00 4.82 C ATOM 2118 C ASN A 133 -14.975 12.042 -10.513 1.00 5.34 C ATOM 2119 O ASN A 133 -15.752 11.260 -11.023 1.00 5.43 O ATOM 2120 CB ASN A 133 -13.315 12.143 -12.381 1.00 5.42 C ATOM 2121 CG ASN A 133 -11.856 11.907 -12.771 1.00 5.90 C ATOM 2122 OD1 ASN A 133 -10.983 12.659 -12.389 1.00 6.06 O ATOM 2123 ND2 ASN A 133 -11.559 10.881 -13.523 1.00 6.48 N ATOM 0 H ASN A 133 -12.884 9.950 -11.227 1.00 4.23 H new ATOM 0 HA ASN A 133 -12.920 12.755 -10.348 1.00 4.82 H new ATOM 0 HB2 ASN A 133 -13.961 11.440 -12.906 1.00 5.42 H new ATOM 0 HB3 ASN A 133 -13.625 13.145 -12.679 1.00 5.42 H new ATOM 0 HD21 ASN A 133 -10.590 10.709 -13.792 1.00 6.48 H new ATOM 0 HD22 ASN A 133 -12.296 10.252 -13.842 1.00 6.48 H new TER 2130 ASN A 133