USER MOD reduce.3.24.130724 H: found=0, std=0, add=990, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 987 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 44 ASN :FLIP amide:sc= -2.73! C(o=-8.1!,f=-6.7!) USER MOD Set 1.2: A 45 GLN : amide:sc= -3.2! C(o=-6.7!,f=-8.1!) USER MOD Set 1.3: A 114 ASN : amide:sc= -0.789 X(o=-6.7,f=-7.1) USER MOD Set 2.1: A 30 HIS : no HD1:sc= -0.53 X(o=-0.53,f=-0.066) USER MOD Set 2.2: A 33 LYS NZ :NH3+ -177:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.951 K(o=-0.95,f=-3.7!) USER MOD Single : A 11 ASN : amide:sc= -0.0716 K(o=-0.072,f=-1.9!) USER MOD Single : A 14 LYS NZ :NH3+ -135:sc= 0.633 (180deg=-0.349) USER MOD Single : A 15 LYS NZ :NH3+ -148:sc= -0.227 (180deg=-1.45!) USER MOD Single : A 17 MET CE :methyl -140:sc= -1.09 (180deg=-6.41!) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -0.63 F(o=-1.9!,f=-0.63) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0386 USER MOD Single : A 46 ASN : amide:sc= -1.48 X(o=-1.5,f=-1.2) USER MOD Single : A 47 THR OG1 : rot -129:sc= -0.631 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 150:sc= -1.58! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0785 USER MOD Single : A 71 ASN : amide:sc= -0.685 K(o=-0.68,f=-4.7!) USER MOD Single : A 74 HIS : no HD1:sc= -0.64 X(o=-0.64,f=-0.31) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.859! F(o=-1.5,f=-0.86!) USER MOD Single : A 85 GLN : amide:sc= -1.12 K(o=-1.1,f=-1.7!) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.208 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot -78:sc= -7.97! USER MOD Single : A 91 THR OG1 : rot 61:sc= 0.097 USER MOD Single : A 93 ASN : amide:sc= -0.709 K(o=-0.71,f=-4!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 140:sc= -0.537 (180deg=-1.99) USER MOD Single : A 101 SER OG : rot -90:sc= -0.214 USER MOD Single : A 103 ASN : amide:sc= -0.32 X(o=-0.32,f=-0.55) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 HIS : no HD1:sc= -0.415 X(o=-0.42,f=-0.16) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 15 N GLN A 2 2.117 2.003 1.453 1.00 0.76 N ATOM 16 CA GLN A 2 3.258 2.168 2.400 1.00 0.61 C ATOM 17 C GLN A 2 3.064 3.447 3.215 1.00 0.56 C ATOM 18 O GLN A 2 2.600 4.452 2.713 1.00 0.57 O ATOM 19 CB GLN A 2 4.568 2.269 1.613 1.00 0.79 C ATOM 20 CG GLN A 2 5.713 2.627 2.566 1.00 0.86 C ATOM 21 CD GLN A 2 6.437 3.872 2.052 1.00 1.22 C ATOM 22 OE1 GLN A 2 6.285 4.946 2.597 1.00 2.42 O ATOM 23 NE2 GLN A 2 7.225 3.773 1.015 1.00 1.28 N ATOM 0 HA GLN A 2 3.297 1.308 3.069 1.00 0.61 H new ATOM 0 HB2 GLN A 2 4.779 1.323 1.115 1.00 0.79 H new ATOM 0 HB3 GLN A 2 4.479 3.027 0.834 1.00 0.79 H new ATOM 0 HG2 GLN A 2 5.323 2.808 3.568 1.00 0.86 H new ATOM 0 HG3 GLN A 2 6.411 1.793 2.642 1.00 0.86 H new ATOM 0 HE21 GLN A 2 7.353 2.871 0.556 1.00 1.28 H new ATOM 0 HE22 GLN A 2 7.712 4.598 0.664 1.00 1.28 H new ATOM 32 N VAL A 3 3.416 3.420 4.468 1.00 0.52 N ATOM 33 CA VAL A 3 3.252 4.628 5.312 1.00 0.46 C ATOM 34 C VAL A 3 4.620 5.268 5.553 1.00 0.40 C ATOM 35 O VAL A 3 5.650 4.669 5.307 1.00 0.40 O ATOM 36 CB VAL A 3 2.628 4.218 6.641 1.00 0.42 C ATOM 37 CG1 VAL A 3 1.258 3.589 6.384 1.00 0.25 C ATOM 38 CG2 VAL A 3 3.534 3.197 7.334 1.00 0.67 C ATOM 0 H VAL A 3 3.812 2.609 4.944 1.00 0.52 H new ATOM 0 HA VAL A 3 2.606 5.350 4.813 1.00 0.46 H new ATOM 0 HB VAL A 3 2.514 5.095 7.278 1.00 0.42 H new ATOM 0 HG11 VAL A 3 0.809 3.295 7.333 1.00 0.25 H new ATOM 0 HG12 VAL A 3 0.613 4.313 5.886 1.00 0.25 H new ATOM 0 HG13 VAL A 3 1.374 2.710 5.750 1.00 0.25 H new ATOM 0 HG21 VAL A 3 3.090 2.902 8.285 1.00 0.67 H new ATOM 0 HG22 VAL A 3 3.646 2.319 6.698 1.00 0.67 H new ATOM 0 HG23 VAL A 3 4.513 3.642 7.513 1.00 0.67 H new ATOM 48 N ASP A 4 4.639 6.483 6.024 1.00 0.36 N ATOM 49 CA ASP A 4 5.938 7.165 6.273 1.00 0.30 C ATOM 50 C ASP A 4 6.405 6.892 7.705 1.00 0.31 C ATOM 51 O ASP A 4 5.717 7.188 8.661 1.00 0.31 O ATOM 52 CB ASP A 4 5.763 8.671 6.070 1.00 0.27 C ATOM 53 CG ASP A 4 7.042 9.397 6.492 1.00 0.58 C ATOM 54 OD1 ASP A 4 8.087 8.766 6.489 1.00 0.29 O ATOM 55 OD2 ASP A 4 6.955 10.570 6.814 1.00 1.74 O ATOM 0 H ASP A 4 3.810 7.034 6.247 1.00 0.36 H new ATOM 0 HA ASP A 4 6.685 6.784 5.577 1.00 0.30 H new ATOM 0 HB2 ASP A 4 5.540 8.884 5.025 1.00 0.27 H new ATOM 0 HB3 ASP A 4 4.918 9.032 6.656 1.00 0.27 H new ATOM 60 N VAL A 5 7.578 6.337 7.856 1.00 0.33 N ATOM 61 CA VAL A 5 8.107 6.047 9.220 1.00 0.33 C ATOM 62 C VAL A 5 9.633 6.176 9.203 1.00 0.43 C ATOM 63 O VAL A 5 10.265 6.045 8.174 1.00 0.46 O ATOM 64 CB VAL A 5 7.723 4.624 9.634 1.00 0.27 C ATOM 65 CG1 VAL A 5 6.215 4.430 9.463 1.00 0.19 C ATOM 66 CG2 VAL A 5 8.471 3.620 8.754 1.00 0.33 C ATOM 0 H VAL A 5 8.195 6.071 7.089 1.00 0.33 H new ATOM 0 HA VAL A 5 7.682 6.754 9.932 1.00 0.33 H new ATOM 0 HB VAL A 5 7.991 4.464 10.678 1.00 0.27 H new ATOM 0 HG11 VAL A 5 5.943 3.417 9.758 1.00 0.19 H new ATOM 0 HG12 VAL A 5 5.683 5.146 10.090 1.00 0.19 H new ATOM 0 HG13 VAL A 5 5.944 4.589 8.419 1.00 0.19 H new ATOM 0 HG21 VAL A 5 8.199 2.606 9.047 1.00 0.33 H new ATOM 0 HG22 VAL A 5 8.202 3.780 7.710 1.00 0.33 H new ATOM 0 HG23 VAL A 5 9.545 3.758 8.877 1.00 0.33 H new ATOM 76 N LYS A 6 10.231 6.425 10.336 1.00 0.47 N ATOM 77 CA LYS A 6 11.713 6.554 10.382 1.00 0.57 C ATOM 78 C LYS A 6 12.275 5.492 11.328 1.00 0.59 C ATOM 79 O LYS A 6 12.166 5.598 12.534 1.00 0.61 O ATOM 80 CB LYS A 6 12.090 7.950 10.888 1.00 0.63 C ATOM 81 CG LYS A 6 11.685 8.998 9.847 1.00 1.94 C ATOM 82 CD LYS A 6 12.908 9.392 9.016 1.00 1.92 C ATOM 83 CE LYS A 6 12.616 10.690 8.263 1.00 2.41 C ATOM 84 NZ LYS A 6 12.574 10.419 6.798 1.00 2.64 N ATOM 0 H LYS A 6 9.757 6.544 11.231 1.00 0.47 H new ATOM 0 HA LYS A 6 12.128 6.413 9.384 1.00 0.57 H new ATOM 0 HB2 LYS A 6 11.591 8.152 11.836 1.00 0.63 H new ATOM 0 HB3 LYS A 6 13.163 8.003 11.075 1.00 0.63 H new ATOM 0 HG2 LYS A 6 10.905 8.599 9.199 1.00 1.94 H new ATOM 0 HG3 LYS A 6 11.270 9.876 10.342 1.00 1.94 H new ATOM 0 HD2 LYS A 6 13.775 9.522 9.664 1.00 1.92 H new ATOM 0 HD3 LYS A 6 13.153 8.598 8.311 1.00 1.92 H new ATOM 0 HE2 LYS A 6 11.665 11.108 8.593 1.00 2.41 H new ATOM 0 HE3 LYS A 6 13.384 11.431 8.484 1.00 2.41 H new ATOM 0 HZ1 LYS A 6 12.375 11.303 6.287 1.00 2.64 H new ATOM 0 HZ2 LYS A 6 13.491 10.039 6.489 1.00 2.64 H new ATOM 0 HZ3 LYS A 6 11.826 9.726 6.594 1.00 2.64 H new ATOM 98 N ASP A 7 12.871 4.465 10.790 1.00 0.59 N ATOM 99 CA ASP A 7 13.434 3.390 11.653 1.00 0.61 C ATOM 100 C ASP A 7 14.403 3.996 12.669 1.00 0.64 C ATOM 101 O ASP A 7 15.166 4.892 12.361 1.00 1.02 O ATOM 102 CB ASP A 7 14.183 2.375 10.786 1.00 0.58 C ATOM 103 CG ASP A 7 13.182 1.439 10.107 1.00 0.74 C ATOM 104 OD1 ASP A 7 12.453 1.904 9.247 1.00 0.20 O ATOM 105 OD2 ASP A 7 13.165 0.270 10.457 1.00 2.30 O ATOM 0 H ASP A 7 12.993 4.324 9.787 1.00 0.59 H new ATOM 0 HA ASP A 7 12.620 2.892 12.180 1.00 0.61 H new ATOM 0 HB2 ASP A 7 14.778 2.893 10.034 1.00 0.58 H new ATOM 0 HB3 ASP A 7 14.876 1.799 11.400 1.00 0.58 H new ATOM 110 N CYS A 8 14.391 3.502 13.876 1.00 0.52 N ATOM 111 CA CYS A 8 15.320 4.032 14.911 1.00 0.62 C ATOM 112 C CYS A 8 16.334 2.944 15.263 1.00 0.59 C ATOM 113 O CYS A 8 17.328 3.194 15.914 1.00 1.05 O ATOM 114 CB CYS A 8 14.532 4.429 16.162 1.00 0.74 C ATOM 115 SG CYS A 8 14.290 2.975 17.212 1.00 0.48 S ATOM 0 H CYS A 8 13.776 2.752 14.190 1.00 0.52 H new ATOM 0 HA CYS A 8 15.837 4.912 14.528 1.00 0.62 H new ATOM 0 HB2 CYS A 8 15.068 5.202 16.712 1.00 0.74 H new ATOM 0 HB3 CYS A 8 13.567 4.850 15.878 1.00 0.74 H new ATOM 120 N ALA A 9 16.090 1.734 14.831 1.00 0.17 N ATOM 121 CA ALA A 9 17.037 0.625 15.130 1.00 0.10 C ATOM 122 C ALA A 9 18.400 0.945 14.537 1.00 0.16 C ATOM 123 O ALA A 9 19.319 1.350 15.220 1.00 0.16 O ATOM 124 CB ALA A 9 16.547 -0.672 14.484 1.00 0.12 C ATOM 0 H ALA A 9 15.272 1.468 14.282 1.00 0.17 H new ATOM 0 HA ALA A 9 17.101 0.510 16.212 1.00 0.10 H new ATOM 0 HB1 ALA A 9 17.247 -1.477 14.709 1.00 0.12 H new ATOM 0 HB2 ALA A 9 15.563 -0.926 14.878 1.00 0.12 H new ATOM 0 HB3 ALA A 9 16.482 -0.539 13.404 1.00 0.12 H new ATOM 130 N ASN A 10 18.533 0.729 13.262 1.00 0.26 N ATOM 131 CA ASN A 10 19.829 0.973 12.589 1.00 0.31 C ATOM 132 C ASN A 10 19.674 0.653 11.102 1.00 0.25 C ATOM 133 O ASN A 10 20.560 0.102 10.478 1.00 0.39 O ATOM 134 CB ASN A 10 20.866 0.039 13.208 1.00 0.33 C ATOM 135 CG ASN A 10 22.255 0.364 12.655 1.00 1.50 C ATOM 136 OD1 ASN A 10 22.403 1.252 11.838 1.00 2.96 O ATOM 137 ND2 ASN A 10 23.285 -0.322 13.067 1.00 1.49 N ATOM 0 H ASN A 10 17.789 0.390 12.652 1.00 0.26 H new ATOM 0 HA ASN A 10 20.142 2.010 12.707 1.00 0.31 H new ATOM 0 HB2 ASN A 10 20.863 0.146 14.293 1.00 0.33 H new ATOM 0 HB3 ASN A 10 20.611 -0.998 12.989 1.00 0.33 H new ATOM 0 HD21 ASN A 10 24.215 -0.113 12.704 1.00 1.49 H new ATOM 0 HD22 ASN A 10 23.160 -1.067 13.753 1.00 1.49 H new ATOM 144 N ASN A 11 18.543 0.976 10.535 1.00 0.40 N ATOM 145 CA ASN A 11 18.317 0.671 9.097 1.00 0.35 C ATOM 146 C ASN A 11 18.028 -0.825 8.960 1.00 0.33 C ATOM 147 O ASN A 11 18.337 -1.444 7.960 1.00 0.51 O ATOM 148 CB ASN A 11 19.566 1.034 8.291 1.00 0.25 C ATOM 149 CG ASN A 11 19.178 1.291 6.834 1.00 0.31 C ATOM 150 OD1 ASN A 11 18.064 1.020 6.433 1.00 1.57 O ATOM 151 ND2 ASN A 11 20.059 1.805 6.020 1.00 1.26 N ATOM 0 H ASN A 11 17.766 1.438 11.008 1.00 0.40 H new ATOM 0 HA ASN A 11 17.475 1.250 8.718 1.00 0.35 H new ATOM 0 HB2 ASN A 11 20.039 1.920 8.714 1.00 0.25 H new ATOM 0 HB3 ASN A 11 20.295 0.226 8.347 1.00 0.25 H new ATOM 0 HD21 ASN A 11 19.812 1.980 5.046 1.00 1.26 H new ATOM 0 HD22 ASN A 11 20.994 2.032 6.358 1.00 1.26 H new ATOM 158 N GLU A 12 17.442 -1.411 9.973 1.00 0.30 N ATOM 159 CA GLU A 12 17.136 -2.869 9.927 1.00 0.28 C ATOM 160 C GLU A 12 15.909 -3.116 9.048 1.00 0.34 C ATOM 161 O GLU A 12 15.985 -3.793 8.043 1.00 0.38 O ATOM 162 CB GLU A 12 16.856 -3.378 11.343 1.00 0.35 C ATOM 163 CG GLU A 12 17.991 -2.953 12.276 1.00 1.28 C ATOM 164 CD GLU A 12 19.264 -3.727 11.920 1.00 0.39 C ATOM 165 OE1 GLU A 12 19.160 -4.697 11.187 1.00 1.33 O ATOM 166 OE2 GLU A 12 20.321 -3.338 12.390 1.00 0.63 O ATOM 0 H GLU A 12 17.162 -0.939 10.833 1.00 0.30 H new ATOM 0 HA GLU A 12 17.991 -3.400 9.509 1.00 0.28 H new ATOM 0 HB2 GLU A 12 15.908 -2.979 11.703 1.00 0.35 H new ATOM 0 HB3 GLU A 12 16.763 -4.464 11.338 1.00 0.35 H new ATOM 0 HG2 GLU A 12 18.168 -1.881 12.186 1.00 1.28 H new ATOM 0 HG3 GLU A 12 17.714 -3.145 13.313 1.00 1.28 H new ATOM 173 N ILE A 13 14.772 -2.588 9.418 1.00 0.35 N ATOM 174 CA ILE A 13 13.555 -2.824 8.587 1.00 0.42 C ATOM 175 C ILE A 13 13.760 -2.247 7.187 1.00 0.36 C ATOM 176 O ILE A 13 13.989 -1.065 7.021 1.00 0.42 O ATOM 177 CB ILE A 13 12.334 -2.148 9.215 1.00 0.52 C ATOM 178 CG1 ILE A 13 12.269 -2.440 10.712 1.00 0.49 C ATOM 179 CG2 ILE A 13 11.061 -2.682 8.559 1.00 0.66 C ATOM 180 CD1 ILE A 13 10.809 -2.680 11.099 1.00 0.21 C ATOM 0 H ILE A 13 14.634 -2.011 10.248 1.00 0.35 H new ATOM 0 HA ILE A 13 13.388 -3.900 8.531 1.00 0.42 H new ATOM 0 HB ILE A 13 12.419 -1.072 9.061 1.00 0.52 H new ATOM 0 HG12 ILE A 13 12.873 -3.315 10.953 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.678 -1.604 11.279 1.00 0.49 H new ATOM 0 HG21 ILE A 13 10.192 -2.200 9.006 1.00 0.66 H new ATOM 0 HG22 ILE A 13 11.085 -2.468 7.491 1.00 0.66 H new ATOM 0 HG23 ILE A 13 10.998 -3.759 8.712 1.00 0.66 H new ATOM 0 HD11 ILE A 13 10.745 -2.890 12.167 1.00 0.21 H new ATOM 0 HD12 ILE A 13 10.221 -1.792 10.868 1.00 0.21 H new ATOM 0 HD13 ILE A 13 10.419 -3.529 10.538 1.00 0.21 H new ATOM 192 N LYS A 14 13.656 -3.062 6.173 1.00 0.43 N ATOM 193 CA LYS A 14 13.821 -2.545 4.794 1.00 0.34 C ATOM 194 C LYS A 14 12.655 -1.610 4.492 1.00 0.31 C ATOM 195 O LYS A 14 12.781 -0.665 3.738 1.00 0.55 O ATOM 196 CB LYS A 14 13.803 -3.712 3.803 1.00 0.28 C ATOM 197 CG LYS A 14 14.835 -4.760 4.225 1.00 0.48 C ATOM 198 CD LYS A 14 16.244 -4.204 4.016 1.00 0.37 C ATOM 199 CE LYS A 14 16.746 -3.589 5.322 1.00 0.36 C ATOM 200 NZ LYS A 14 17.665 -4.545 5.999 1.00 1.76 N ATOM 0 H LYS A 14 13.464 -4.061 6.244 1.00 0.43 H new ATOM 0 HA LYS A 14 14.768 -2.014 4.703 1.00 0.34 H new ATOM 0 HB2 LYS A 14 12.809 -4.159 3.770 1.00 0.28 H new ATOM 0 HB3 LYS A 14 14.025 -3.352 2.798 1.00 0.28 H new ATOM 0 HG2 LYS A 14 14.690 -5.027 5.272 1.00 0.48 H new ATOM 0 HG3 LYS A 14 14.702 -5.671 3.642 1.00 0.48 H new ATOM 0 HD2 LYS A 14 16.916 -4.999 3.693 1.00 0.37 H new ATOM 0 HD3 LYS A 14 16.237 -3.453 3.226 1.00 0.37 H new ATOM 0 HE2 LYS A 14 17.264 -2.651 5.120 1.00 0.36 H new ATOM 0 HE3 LYS A 14 15.904 -3.354 5.973 1.00 0.36 H new ATOM 0 HZ1 LYS A 14 17.432 -4.593 7.011 1.00 1.76 H new ATOM 0 HZ2 LYS A 14 17.559 -5.488 5.574 1.00 1.76 H new ATOM 0 HZ3 LYS A 14 18.647 -4.222 5.885 1.00 1.76 H new ATOM 214 N LYS A 15 11.522 -1.874 5.089 1.00 0.37 N ATOM 215 CA LYS A 15 10.322 -1.019 4.858 1.00 0.38 C ATOM 216 C LYS A 15 9.073 -1.754 5.354 1.00 0.39 C ATOM 217 O LYS A 15 8.849 -2.904 5.034 1.00 0.43 O ATOM 218 CB LYS A 15 10.170 -0.735 3.358 1.00 0.40 C ATOM 219 CG LYS A 15 8.923 -1.444 2.827 1.00 0.47 C ATOM 220 CD LYS A 15 8.805 -1.211 1.321 1.00 0.52 C ATOM 221 CE LYS A 15 9.453 -2.380 0.577 1.00 0.53 C ATOM 222 NZ LYS A 15 10.924 -2.161 0.498 1.00 1.95 N ATOM 0 H LYS A 15 11.377 -2.652 5.732 1.00 0.37 H new ATOM 0 HA LYS A 15 10.441 -0.080 5.398 1.00 0.38 H new ATOM 0 HB2 LYS A 15 10.091 0.339 3.187 1.00 0.40 H new ATOM 0 HB3 LYS A 15 11.054 -1.080 2.821 1.00 0.40 H new ATOM 0 HG2 LYS A 15 8.982 -2.512 3.037 1.00 0.47 H new ATOM 0 HG3 LYS A 15 8.034 -1.068 3.334 1.00 0.47 H new ATOM 0 HD2 LYS A 15 7.757 -1.120 1.036 1.00 0.52 H new ATOM 0 HD3 LYS A 15 9.292 -0.275 1.047 1.00 0.52 H new ATOM 0 HE2 LYS A 15 9.241 -3.316 1.093 1.00 0.53 H new ATOM 0 HE3 LYS A 15 9.033 -2.466 -0.425 1.00 0.53 H new ATOM 0 HZ1 LYS A 15 11.290 -2.574 -0.384 1.00 1.95 H new ATOM 0 HZ2 LYS A 15 11.124 -1.141 0.511 1.00 1.95 H new ATOM 0 HZ3 LYS A 15 11.387 -2.615 1.311 1.00 1.95 H new ATOM 236 N VAL A 16 8.250 -1.100 6.123 1.00 0.58 N ATOM 237 CA VAL A 16 7.011 -1.767 6.618 1.00 0.70 C ATOM 238 C VAL A 16 5.797 -0.965 6.140 1.00 0.52 C ATOM 239 O VAL A 16 5.709 0.230 6.342 1.00 0.73 O ATOM 240 CB VAL A 16 7.040 -1.859 8.150 1.00 1.23 C ATOM 241 CG1 VAL A 16 7.460 -0.518 8.757 1.00 1.85 C ATOM 242 CG2 VAL A 16 5.654 -2.249 8.678 1.00 1.43 C ATOM 0 H VAL A 16 8.379 -0.136 6.430 1.00 0.58 H new ATOM 0 HA VAL A 16 6.948 -2.781 6.224 1.00 0.70 H new ATOM 0 HB VAL A 16 7.765 -2.621 8.437 1.00 1.23 H new ATOM 0 HG11 VAL A 16 7.476 -0.600 9.844 1.00 1.85 H new ATOM 0 HG12 VAL A 16 8.454 -0.252 8.399 1.00 1.85 H new ATOM 0 HG13 VAL A 16 6.749 0.254 8.461 1.00 1.85 H new ATOM 0 HG21 VAL A 16 5.684 -2.312 9.766 1.00 1.43 H new ATOM 0 HG22 VAL A 16 4.925 -1.496 8.378 1.00 1.43 H new ATOM 0 HG23 VAL A 16 5.367 -3.216 8.266 1.00 1.43 H new ATOM 252 N MET A 17 4.873 -1.614 5.479 1.00 0.35 N ATOM 253 CA MET A 17 3.677 -0.892 4.954 1.00 0.19 C ATOM 254 C MET A 17 2.418 -1.283 5.733 1.00 0.15 C ATOM 255 O MET A 17 2.356 -2.320 6.364 1.00 0.17 O ATOM 256 CB MET A 17 3.483 -1.253 3.482 1.00 0.10 C ATOM 257 CG MET A 17 4.828 -1.189 2.757 1.00 0.10 C ATOM 258 SD MET A 17 5.175 -2.790 1.987 1.00 0.31 S ATOM 259 CE MET A 17 6.232 -3.447 3.301 1.00 0.47 C ATOM 0 H MET A 17 4.896 -2.614 5.280 1.00 0.35 H new ATOM 0 HA MET A 17 3.839 0.180 5.067 1.00 0.19 H new ATOM 0 HB2 MET A 17 3.059 -2.253 3.395 1.00 0.10 H new ATOM 0 HB3 MET A 17 2.775 -0.565 3.019 1.00 0.10 H new ATOM 0 HG2 MET A 17 4.808 -0.406 1.999 1.00 0.10 H new ATOM 0 HG3 MET A 17 5.620 -0.932 3.460 1.00 0.10 H new ATOM 0 HE1 MET A 17 7.069 -3.987 2.859 1.00 0.47 H new ATOM 0 HE2 MET A 17 6.611 -2.625 3.909 1.00 0.47 H new ATOM 0 HE3 MET A 17 5.654 -4.125 3.928 1.00 0.47 H new ATOM 269 N VAL A 18 1.411 -0.452 5.674 1.00 0.22 N ATOM 270 CA VAL A 18 0.136 -0.750 6.387 1.00 0.22 C ATOM 271 C VAL A 18 -1.002 -0.802 5.368 1.00 0.24 C ATOM 272 O VAL A 18 -0.990 -0.104 4.376 1.00 0.27 O ATOM 273 CB VAL A 18 -0.148 0.357 7.404 1.00 0.25 C ATOM 274 CG1 VAL A 18 -1.481 0.086 8.108 1.00 0.29 C ATOM 275 CG2 VAL A 18 0.978 0.391 8.437 1.00 0.20 C ATOM 0 H VAL A 18 1.418 0.428 5.158 1.00 0.22 H new ATOM 0 HA VAL A 18 0.217 -1.707 6.903 1.00 0.22 H new ATOM 0 HB VAL A 18 -0.205 1.316 6.890 1.00 0.25 H new ATOM 0 HG11 VAL A 18 -1.678 0.877 8.831 1.00 0.29 H new ATOM 0 HG12 VAL A 18 -2.283 0.060 7.371 1.00 0.29 H new ATOM 0 HG13 VAL A 18 -1.432 -0.873 8.624 1.00 0.29 H new ATOM 0 HG21 VAL A 18 0.781 1.178 9.164 1.00 0.20 H new ATOM 0 HG22 VAL A 18 1.032 -0.570 8.948 1.00 0.20 H new ATOM 0 HG23 VAL A 18 1.926 0.589 7.936 1.00 0.20 H new ATOM 285 N ASP A 19 -1.986 -1.623 5.605 1.00 0.23 N ATOM 286 CA ASP A 19 -3.123 -1.714 4.649 1.00 0.26 C ATOM 287 C ASP A 19 -4.307 -0.905 5.186 1.00 0.18 C ATOM 288 O ASP A 19 -5.384 -1.432 5.383 1.00 0.25 O ATOM 289 CB ASP A 19 -3.542 -3.180 4.496 1.00 0.39 C ATOM 290 CG ASP A 19 -3.024 -3.729 3.166 1.00 1.60 C ATOM 291 OD1 ASP A 19 -1.893 -4.181 3.137 1.00 3.22 O ATOM 292 OD2 ASP A 19 -3.769 -3.688 2.201 1.00 1.39 O ATOM 0 H ASP A 19 -2.052 -2.234 6.419 1.00 0.23 H new ATOM 0 HA ASP A 19 -2.817 -1.316 3.681 1.00 0.26 H new ATOM 0 HB2 ASP A 19 -3.146 -3.770 5.323 1.00 0.39 H new ATOM 0 HB3 ASP A 19 -4.628 -3.264 4.537 1.00 0.39 H new ATOM 297 N GLY A 20 -4.126 0.367 5.429 1.00 0.67 N ATOM 298 CA GLY A 20 -5.262 1.179 5.957 1.00 0.83 C ATOM 299 C GLY A 20 -4.865 2.654 6.087 1.00 1.14 C ATOM 300 O GLY A 20 -5.397 3.372 6.910 1.00 2.84 O ATOM 0 H GLY A 20 -3.252 0.874 5.287 1.00 0.67 H new ATOM 0 HA2 GLY A 20 -6.121 1.086 5.292 1.00 0.83 H new ATOM 0 HA3 GLY A 20 -5.569 0.794 6.929 1.00 0.83 H new ATOM 304 N CYS A 21 -3.943 3.120 5.287 1.00 0.51 N ATOM 305 CA CYS A 21 -3.539 4.555 5.383 1.00 0.40 C ATOM 306 C CYS A 21 -3.313 5.126 3.979 1.00 1.06 C ATOM 307 O CYS A 21 -3.684 4.526 2.989 1.00 1.89 O ATOM 308 CB CYS A 21 -2.247 4.668 6.194 1.00 0.67 C ATOM 309 SG CYS A 21 -2.649 4.916 7.938 1.00 1.94 S ATOM 0 H CYS A 21 -3.455 2.575 4.576 1.00 0.51 H new ATOM 0 HA CYS A 21 -4.330 5.119 5.877 1.00 0.40 H new ATOM 0 HB2 CYS A 21 -1.649 3.765 6.073 1.00 0.67 H new ATOM 0 HB3 CYS A 21 -1.646 5.500 5.827 1.00 0.67 H new ATOM 314 N HIS A 22 -2.713 6.285 3.882 1.00 0.76 N ATOM 315 CA HIS A 22 -2.475 6.887 2.538 1.00 1.45 C ATOM 316 C HIS A 22 -1.007 7.297 2.393 1.00 1.59 C ATOM 317 O HIS A 22 -0.557 7.660 1.325 1.00 2.16 O ATOM 318 CB HIS A 22 -3.366 8.118 2.368 1.00 1.79 C ATOM 319 CG HIS A 22 -4.738 7.824 2.908 1.00 2.38 C ATOM 320 ND1 HIS A 22 -5.195 7.606 4.183 1.00 2.22 N flip ATOM 321 CD2 HIS A 22 -5.851 7.731 2.086 1.00 3.64 C flip ATOM 322 CE1 HIS A 22 -6.569 7.382 4.158 1.00 3.04 C flip ATOM 323 NE2 HIS A 22 -6.913 7.468 2.870 1.00 3.99 N flip ATOM 0 H HIS A 22 -2.379 6.837 4.672 1.00 0.76 H new ATOM 0 HA HIS A 22 -2.714 6.149 1.772 1.00 1.45 H new ATOM 0 HB2 HIS A 22 -2.932 8.969 2.893 1.00 1.79 H new ATOM 0 HB3 HIS A 22 -3.429 8.391 1.315 1.00 1.79 H new ATOM 0 HD2 HIS A 22 -5.863 7.848 1.012 1.00 3.64 H new ATOM 0 HE1 HIS A 22 -7.217 7.182 4.999 1.00 3.04 H new ATOM 0 HE2 HIS A 22 -7.865 7.349 2.523 1.00 3.99 H new ATOM 331 N GLY A 23 -0.255 7.243 3.456 1.00 1.21 N ATOM 332 CA GLY A 23 1.181 7.626 3.369 1.00 1.57 C ATOM 333 C GLY A 23 1.400 8.973 4.065 1.00 1.07 C ATOM 334 O GLY A 23 0.945 9.193 5.169 1.00 0.92 O ATOM 0 H GLY A 23 -0.572 6.951 4.380 1.00 1.21 H new ATOM 0 HA2 GLY A 23 1.800 6.860 3.835 1.00 1.57 H new ATOM 0 HA3 GLY A 23 1.487 7.691 2.325 1.00 1.57 H new ATOM 338 N SER A 24 2.100 9.873 3.428 1.00 0.92 N ATOM 339 CA SER A 24 2.356 11.202 4.053 1.00 0.57 C ATOM 340 C SER A 24 1.079 11.711 4.720 1.00 0.49 C ATOM 341 O SER A 24 1.113 12.296 5.783 1.00 0.40 O ATOM 342 CB SER A 24 2.800 12.199 2.983 1.00 0.90 C ATOM 343 OG SER A 24 1.883 13.285 2.940 1.00 1.00 O ATOM 0 H SER A 24 2.506 9.745 2.501 1.00 0.92 H new ATOM 0 HA SER A 24 3.142 11.099 4.801 1.00 0.57 H new ATOM 0 HB2 SER A 24 3.803 12.564 3.204 1.00 0.90 H new ATOM 0 HB3 SER A 24 2.846 11.709 2.010 1.00 0.90 H new ATOM 0 HG SER A 24 2.167 13.926 2.256 1.00 1.00 H new ATOM 349 N ASP A 25 -0.049 11.486 4.108 1.00 0.73 N ATOM 350 CA ASP A 25 -1.321 11.954 4.716 1.00 0.65 C ATOM 351 C ASP A 25 -1.390 11.449 6.158 1.00 0.53 C ATOM 352 O ASP A 25 -0.575 10.647 6.570 1.00 0.51 O ATOM 353 CB ASP A 25 -2.498 11.398 3.913 1.00 0.68 C ATOM 354 CG ASP A 25 -3.040 12.487 2.985 1.00 0.63 C ATOM 355 OD1 ASP A 25 -2.368 12.799 2.014 1.00 1.13 O ATOM 356 OD2 ASP A 25 -4.116 12.992 3.260 1.00 1.42 O ATOM 0 H ASP A 25 -0.144 11.000 3.216 1.00 0.73 H new ATOM 0 HA ASP A 25 -1.366 13.043 4.707 1.00 0.65 H new ATOM 0 HB2 ASP A 25 -2.179 10.534 3.330 1.00 0.68 H new ATOM 0 HB3 ASP A 25 -3.283 11.056 4.587 1.00 0.68 H new ATOM 361 N PRO A 26 -2.356 11.937 6.883 1.00 0.48 N ATOM 362 CA PRO A 26 -2.556 11.556 8.290 1.00 0.36 C ATOM 363 C PRO A 26 -3.170 10.157 8.376 1.00 0.34 C ATOM 364 O PRO A 26 -3.838 9.703 7.470 1.00 0.37 O ATOM 365 CB PRO A 26 -3.507 12.632 8.823 1.00 0.37 C ATOM 366 CG PRO A 26 -4.222 13.234 7.591 1.00 0.51 C ATOM 367 CD PRO A 26 -3.341 12.910 6.369 1.00 0.57 C ATOM 0 HA PRO A 26 -1.632 11.507 8.866 1.00 0.36 H new ATOM 0 HB2 PRO A 26 -4.228 12.203 9.519 1.00 0.37 H new ATOM 0 HB3 PRO A 26 -2.958 13.400 9.367 1.00 0.37 H new ATOM 0 HG2 PRO A 26 -5.218 12.807 7.474 1.00 0.51 H new ATOM 0 HG3 PRO A 26 -4.347 14.311 7.704 1.00 0.51 H new ATOM 0 HD2 PRO A 26 -3.929 12.489 5.554 1.00 0.57 H new ATOM 0 HD3 PRO A 26 -2.853 13.804 5.981 1.00 0.57 H new ATOM 375 N CYS A 27 -2.935 9.466 9.457 1.00 0.31 N ATOM 376 CA CYS A 27 -3.490 8.090 9.597 1.00 0.32 C ATOM 377 C CYS A 27 -4.540 8.080 10.707 1.00 0.26 C ATOM 378 O CYS A 27 -4.345 8.647 11.762 1.00 0.30 O ATOM 379 CB CYS A 27 -2.360 7.130 9.966 1.00 0.39 C ATOM 380 SG CYS A 27 -1.560 6.534 8.459 1.00 0.57 S ATOM 0 H CYS A 27 -2.383 9.794 10.249 1.00 0.31 H new ATOM 0 HA CYS A 27 -3.947 7.780 8.657 1.00 0.32 H new ATOM 0 HB2 CYS A 27 -1.632 7.635 10.601 1.00 0.39 H new ATOM 0 HB3 CYS A 27 -2.754 6.290 10.538 1.00 0.39 H new ATOM 385 N ILE A 28 -5.650 7.435 10.486 1.00 0.26 N ATOM 386 CA ILE A 28 -6.697 7.388 11.538 1.00 0.27 C ATOM 387 C ILE A 28 -6.804 5.964 12.077 1.00 0.35 C ATOM 388 O ILE A 28 -7.302 5.073 11.416 1.00 0.49 O ATOM 389 CB ILE A 28 -8.042 7.817 10.953 1.00 0.27 C ATOM 390 CG1 ILE A 28 -7.949 9.270 10.483 1.00 0.20 C ATOM 391 CG2 ILE A 28 -9.119 7.700 12.032 1.00 0.31 C ATOM 392 CD1 ILE A 28 -7.401 10.140 11.616 1.00 0.26 C ATOM 0 H ILE A 28 -5.876 6.940 9.623 1.00 0.26 H new ATOM 0 HA ILE A 28 -6.428 8.068 12.347 1.00 0.27 H new ATOM 0 HB ILE A 28 -8.298 7.177 10.109 1.00 0.27 H new ATOM 0 HG12 ILE A 28 -7.300 9.340 9.610 1.00 0.20 H new ATOM 0 HG13 ILE A 28 -8.932 9.628 10.178 1.00 0.20 H new ATOM 0 HG21 ILE A 28 -10.081 8.005 11.620 1.00 0.31 H new ATOM 0 HG22 ILE A 28 -9.181 6.667 12.373 1.00 0.31 H new ATOM 0 HG23 ILE A 28 -8.863 8.345 12.873 1.00 0.31 H new ATOM 0 HD11 ILE A 28 -7.335 11.175 11.281 1.00 0.26 H new ATOM 0 HD12 ILE A 28 -8.067 10.079 12.476 1.00 0.26 H new ATOM 0 HD13 ILE A 28 -6.410 9.786 11.899 1.00 0.26 H new ATOM 404 N ILE A 29 -6.342 5.741 13.273 1.00 0.25 N ATOM 405 CA ILE A 29 -6.422 4.375 13.851 1.00 0.31 C ATOM 406 C ILE A 29 -7.754 4.222 14.581 1.00 0.36 C ATOM 407 O ILE A 29 -8.068 4.969 15.486 1.00 0.31 O ATOM 408 CB ILE A 29 -5.265 4.165 14.830 1.00 0.24 C ATOM 409 CG1 ILE A 29 -3.983 3.891 14.040 1.00 0.49 C ATOM 410 CG2 ILE A 29 -5.570 2.969 15.735 1.00 0.35 C ATOM 411 CD1 ILE A 29 -2.894 4.869 14.479 1.00 0.60 C ATOM 0 H ILE A 29 -5.913 6.445 13.874 1.00 0.25 H new ATOM 0 HA ILE A 29 -6.354 3.632 13.057 1.00 0.31 H new ATOM 0 HB ILE A 29 -5.137 5.058 15.442 1.00 0.24 H new ATOM 0 HG12 ILE A 29 -3.654 2.865 14.206 1.00 0.49 H new ATOM 0 HG13 ILE A 29 -4.172 3.997 12.972 1.00 0.49 H new ATOM 0 HG21 ILE A 29 -4.745 2.820 16.432 1.00 0.35 H new ATOM 0 HG22 ILE A 29 -6.487 3.159 16.293 1.00 0.35 H new ATOM 0 HG23 ILE A 29 -5.696 2.074 15.125 1.00 0.35 H new ATOM 0 HD11 ILE A 29 -1.981 4.674 13.916 1.00 0.60 H new ATOM 0 HD12 ILE A 29 -3.225 5.890 14.291 1.00 0.60 H new ATOM 0 HD13 ILE A 29 -2.698 4.742 15.544 1.00 0.60 H new ATOM 423 N HIS A 30 -8.544 3.265 14.184 1.00 0.52 N ATOM 424 CA HIS A 30 -9.864 3.068 14.844 1.00 0.60 C ATOM 425 C HIS A 30 -9.698 2.207 16.098 1.00 0.43 C ATOM 426 O HIS A 30 -9.027 1.196 16.089 1.00 1.02 O ATOM 427 CB HIS A 30 -10.818 2.377 13.871 1.00 0.89 C ATOM 428 CG HIS A 30 -11.013 3.248 12.661 1.00 0.79 C ATOM 429 ND1 HIS A 30 -12.229 3.846 12.374 1.00 0.92 N ATOM 430 CD2 HIS A 30 -10.157 3.641 11.663 1.00 0.63 C ATOM 431 CE1 HIS A 30 -12.073 4.563 11.246 1.00 0.84 C ATOM 432 NE2 HIS A 30 -10.828 4.471 10.770 1.00 0.64 N ATOM 0 H HIS A 30 -8.333 2.610 13.431 1.00 0.52 H new ATOM 0 HA HIS A 30 -10.271 4.038 15.130 1.00 0.60 H new ATOM 0 HB2 HIS A 30 -10.415 1.409 13.575 1.00 0.89 H new ATOM 0 HB3 HIS A 30 -11.776 2.189 14.356 1.00 0.89 H new ATOM 0 HD2 HIS A 30 -9.120 3.350 11.583 1.00 0.63 H new ATOM 0 HE1 HIS A 30 -12.858 5.142 10.782 1.00 0.84 H new ATOM 0 HE2 HIS A 30 -10.451 4.914 9.932 1.00 0.64 H new ATOM 440 N ARG A 31 -10.299 2.615 17.177 1.00 0.62 N ATOM 441 CA ARG A 31 -10.183 1.837 18.444 1.00 0.57 C ATOM 442 C ARG A 31 -10.676 0.404 18.237 1.00 0.44 C ATOM 443 O ARG A 31 -11.673 0.163 17.584 1.00 1.01 O ATOM 444 CB ARG A 31 -11.042 2.486 19.530 1.00 1.26 C ATOM 445 CG ARG A 31 -11.048 4.003 19.356 1.00 0.80 C ATOM 446 CD ARG A 31 -11.278 4.660 20.711 1.00 0.34 C ATOM 447 NE ARG A 31 -12.723 4.588 21.067 1.00 0.50 N ATOM 448 CZ ARG A 31 -13.075 4.225 22.272 1.00 1.15 C ATOM 449 NH1 ARG A 31 -12.469 4.740 23.307 1.00 1.77 N ATOM 450 NH2 ARG A 31 -14.027 3.349 22.439 1.00 1.89 N ATOM 0 H ARG A 31 -10.869 3.458 17.239 1.00 0.62 H new ATOM 0 HA ARG A 31 -9.135 1.827 18.743 1.00 0.57 H new ATOM 0 HB2 ARG A 31 -12.061 2.102 19.477 1.00 1.26 H new ATOM 0 HB3 ARG A 31 -10.654 2.226 20.515 1.00 1.26 H new ATOM 0 HG2 ARG A 31 -10.101 4.337 18.933 1.00 0.80 H new ATOM 0 HG3 ARG A 31 -11.831 4.298 18.657 1.00 0.80 H new ATOM 0 HD2 ARG A 31 -10.681 4.161 21.474 1.00 0.34 H new ATOM 0 HD3 ARG A 31 -10.953 5.700 20.681 1.00 0.34 H new ATOM 0 HE ARG A 31 -13.434 4.821 20.374 1.00 0.50 H new ATOM 0 HH11 ARG A 31 -11.724 5.423 23.174 1.00 1.77 H new ATOM 0 HH12 ARG A 31 -12.741 4.459 24.249 1.00 1.77 H new ATOM 0 HH21 ARG A 31 -14.498 2.946 21.628 1.00 1.89 H new ATOM 0 HH22 ARG A 31 -14.301 3.067 23.380 1.00 1.89 H new ATOM 464 N GLY A 32 -9.995 -0.545 18.819 1.00 0.25 N ATOM 465 CA GLY A 32 -10.424 -1.968 18.699 1.00 0.83 C ATOM 466 C GLY A 32 -10.273 -2.476 17.257 1.00 0.77 C ATOM 467 O GLY A 32 -10.604 -3.608 16.962 1.00 0.92 O ATOM 0 H GLY A 32 -9.154 -0.395 19.376 1.00 0.25 H new ATOM 0 HA2 GLY A 32 -9.828 -2.588 19.369 1.00 0.83 H new ATOM 0 HA3 GLY A 32 -11.463 -2.065 19.014 1.00 0.83 H new ATOM 471 N LYS A 33 -9.784 -1.666 16.355 1.00 0.59 N ATOM 472 CA LYS A 33 -9.630 -2.132 14.950 1.00 0.62 C ATOM 473 C LYS A 33 -8.261 -2.790 14.770 1.00 0.55 C ATOM 474 O LYS A 33 -7.308 -2.432 15.433 1.00 0.56 O ATOM 475 CB LYS A 33 -9.738 -0.934 14.010 1.00 0.81 C ATOM 476 CG LYS A 33 -8.500 -0.880 13.111 1.00 0.69 C ATOM 477 CD LYS A 33 -8.706 0.168 12.019 1.00 0.99 C ATOM 478 CE LYS A 33 -10.095 -0.006 11.412 1.00 0.70 C ATOM 479 NZ LYS A 33 -10.103 0.530 10.022 1.00 0.36 N ATOM 0 H LYS A 33 -9.486 -0.706 16.531 1.00 0.59 H new ATOM 0 HA LYS A 33 -10.412 -2.856 14.722 1.00 0.62 H new ATOM 0 HB2 LYS A 33 -10.639 -1.015 13.402 1.00 0.81 H new ATOM 0 HB3 LYS A 33 -9.823 -0.012 14.586 1.00 0.81 H new ATOM 0 HG2 LYS A 33 -7.618 -0.635 13.703 1.00 0.69 H new ATOM 0 HG3 LYS A 33 -8.321 -1.857 12.662 1.00 0.69 H new ATOM 0 HD2 LYS A 33 -8.601 1.170 12.435 1.00 0.99 H new ATOM 0 HD3 LYS A 33 -7.943 0.062 11.248 1.00 0.99 H new ATOM 0 HE2 LYS A 33 -10.372 -1.060 11.408 1.00 0.70 H new ATOM 0 HE3 LYS A 33 -10.836 0.516 12.018 1.00 0.70 H new ATOM 0 HZ1 LYS A 33 -11.063 0.457 9.627 1.00 0.36 H new ATOM 0 HZ2 LYS A 33 -9.808 1.527 10.033 1.00 0.36 H new ATOM 0 HZ3 LYS A 33 -9.444 -0.020 9.434 1.00 0.36 H new ATOM 493 N PRO A 34 -8.211 -3.739 13.872 1.00 0.55 N ATOM 494 CA PRO A 34 -6.981 -4.485 13.563 1.00 0.51 C ATOM 495 C PRO A 34 -6.082 -3.692 12.609 1.00 0.53 C ATOM 496 O PRO A 34 -6.410 -3.481 11.458 1.00 0.60 O ATOM 497 CB PRO A 34 -7.495 -5.756 12.884 1.00 0.57 C ATOM 498 CG PRO A 34 -8.902 -5.417 12.329 1.00 0.66 C ATOM 499 CD PRO A 34 -9.386 -4.162 13.084 1.00 0.66 C ATOM 0 HA PRO A 34 -6.377 -4.685 14.448 1.00 0.51 H new ATOM 0 HB2 PRO A 34 -6.825 -6.066 12.082 1.00 0.57 H new ATOM 0 HB3 PRO A 34 -7.546 -6.582 13.593 1.00 0.57 H new ATOM 0 HG2 PRO A 34 -8.860 -5.231 11.256 1.00 0.66 H new ATOM 0 HG3 PRO A 34 -9.589 -6.249 12.482 1.00 0.66 H new ATOM 0 HD2 PRO A 34 -9.706 -3.381 12.394 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -10.237 -4.387 13.727 1.00 0.66 H new ATOM 507 N PHE A 35 -4.937 -3.279 13.077 1.00 0.53 N ATOM 508 CA PHE A 35 -3.990 -2.525 12.212 1.00 0.59 C ATOM 509 C PHE A 35 -2.960 -3.524 11.685 1.00 0.52 C ATOM 510 O PHE A 35 -2.215 -4.113 12.441 1.00 0.60 O ATOM 511 CB PHE A 35 -3.292 -1.459 13.052 1.00 0.73 C ATOM 512 CG PHE A 35 -3.057 -0.215 12.234 1.00 0.70 C ATOM 513 CD1 PHE A 35 -4.116 0.662 11.978 1.00 0.78 C ATOM 514 CD2 PHE A 35 -1.776 0.070 11.748 1.00 0.66 C ATOM 515 CE1 PHE A 35 -3.895 1.825 11.231 1.00 0.87 C ATOM 516 CE2 PHE A 35 -1.554 1.232 11.002 1.00 0.72 C ATOM 517 CZ PHE A 35 -2.614 2.110 10.744 1.00 0.85 C ATOM 0 H PHE A 35 -4.615 -3.434 14.032 1.00 0.53 H new ATOM 0 HA PHE A 35 -4.509 -2.040 11.386 1.00 0.59 H new ATOM 0 HB2 PHE A 35 -3.900 -1.219 13.924 1.00 0.73 H new ATOM 0 HB3 PHE A 35 -2.342 -1.843 13.422 1.00 0.73 H new ATOM 0 HD1 PHE A 35 -5.103 0.442 12.356 1.00 0.78 H new ATOM 0 HD2 PHE A 35 -0.959 -0.607 11.949 1.00 0.66 H new ATOM 0 HE1 PHE A 35 -4.712 2.502 11.031 1.00 0.87 H new ATOM 0 HE2 PHE A 35 -0.566 1.452 10.625 1.00 0.72 H new ATOM 0 HZ PHE A 35 -2.443 3.008 10.169 1.00 0.85 H new ATOM 527 N THR A 36 -2.930 -3.750 10.405 1.00 0.41 N ATOM 528 CA THR A 36 -1.971 -4.750 9.859 1.00 0.43 C ATOM 529 C THR A 36 -0.831 -4.067 9.106 1.00 0.59 C ATOM 530 O THR A 36 -1.042 -3.247 8.234 1.00 0.71 O ATOM 531 CB THR A 36 -2.709 -5.695 8.909 1.00 0.26 C ATOM 532 OG1 THR A 36 -3.844 -6.237 9.571 1.00 0.25 O ATOM 533 CG2 THR A 36 -1.774 -6.828 8.485 1.00 0.41 C ATOM 0 H THR A 36 -3.523 -3.290 9.715 1.00 0.41 H new ATOM 0 HA THR A 36 -1.547 -5.309 10.693 1.00 0.43 H new ATOM 0 HB THR A 36 -3.031 -5.144 8.025 1.00 0.26 H new ATOM 0 HG1 THR A 36 -4.319 -6.841 8.963 1.00 0.25 H new ATOM 0 HG21 THR A 36 -2.301 -7.501 7.808 1.00 0.41 H new ATOM 0 HG22 THR A 36 -0.904 -6.411 7.978 1.00 0.41 H new ATOM 0 HG23 THR A 36 -1.450 -7.381 9.366 1.00 0.41 H new ATOM 541 N LEU A 37 0.378 -4.421 9.433 1.00 0.60 N ATOM 542 CA LEU A 37 1.547 -3.826 8.740 1.00 0.76 C ATOM 543 C LEU A 37 2.628 -4.897 8.583 1.00 0.61 C ATOM 544 O LEU A 37 3.043 -5.522 9.538 1.00 0.51 O ATOM 545 CB LEU A 37 2.115 -2.628 9.534 1.00 0.96 C ATOM 546 CG LEU A 37 1.895 -2.777 11.053 1.00 0.99 C ATOM 547 CD1 LEU A 37 0.403 -2.730 11.386 1.00 0.75 C ATOM 548 CD2 LEU A 37 2.504 -4.088 11.561 1.00 1.31 C ATOM 0 H LEU A 37 0.606 -5.103 10.157 1.00 0.60 H new ATOM 0 HA LEU A 37 1.229 -3.463 7.763 1.00 0.76 H new ATOM 0 HB2 LEU A 37 3.182 -2.533 9.331 1.00 0.96 H new ATOM 0 HB3 LEU A 37 1.642 -1.709 9.189 1.00 0.96 H new ATOM 0 HG LEU A 37 2.393 -1.945 11.551 1.00 0.99 H new ATOM 0 HD11 LEU A 37 0.267 -2.837 12.462 1.00 0.75 H new ATOM 0 HD12 LEU A 37 -0.013 -1.776 11.060 1.00 0.75 H new ATOM 0 HD13 LEU A 37 -0.110 -3.543 10.873 1.00 0.75 H new ATOM 0 HD21 LEU A 37 2.338 -4.174 12.635 1.00 1.31 H new ATOM 0 HD22 LEU A 37 2.033 -4.929 11.052 1.00 1.31 H new ATOM 0 HD23 LEU A 37 3.575 -4.095 11.358 1.00 1.31 H new ATOM 560 N GLU A 38 3.095 -5.111 7.387 1.00 0.70 N ATOM 561 CA GLU A 38 4.156 -6.132 7.183 1.00 0.59 C ATOM 562 C GLU A 38 5.504 -5.424 7.218 1.00 0.56 C ATOM 563 O GLU A 38 5.674 -4.377 6.625 1.00 0.51 O ATOM 564 CB GLU A 38 3.962 -6.814 5.827 1.00 0.68 C ATOM 565 CG GLU A 38 4.568 -8.217 5.877 1.00 0.76 C ATOM 566 CD GLU A 38 4.577 -8.819 4.471 1.00 0.79 C ATOM 567 OE1 GLU A 38 3.551 -9.339 4.066 1.00 0.43 O ATOM 568 OE2 GLU A 38 5.608 -8.750 3.825 1.00 1.55 O ATOM 0 H GLU A 38 2.789 -4.625 6.544 1.00 0.70 H new ATOM 0 HA GLU A 38 4.108 -6.891 7.964 1.00 0.59 H new ATOM 0 HB2 GLU A 38 2.901 -6.872 5.584 1.00 0.68 H new ATOM 0 HB3 GLU A 38 4.437 -6.228 5.041 1.00 0.68 H new ATOM 0 HG2 GLU A 38 5.583 -8.172 6.272 1.00 0.76 H new ATOM 0 HG3 GLU A 38 3.991 -8.850 6.551 1.00 0.76 H new ATOM 575 N ALA A 39 6.463 -5.958 7.920 1.00 0.59 N ATOM 576 CA ALA A 39 7.774 -5.268 7.987 1.00 0.56 C ATOM 577 C ALA A 39 8.905 -6.238 7.660 1.00 0.52 C ATOM 578 O ALA A 39 9.052 -7.272 8.281 1.00 0.52 O ATOM 579 CB ALA A 39 7.972 -4.718 9.398 1.00 0.53 C ATOM 0 H ALA A 39 6.396 -6.831 8.443 1.00 0.59 H new ATOM 0 HA ALA A 39 7.788 -4.456 7.259 1.00 0.56 H new ATOM 0 HB1 ALA A 39 8.934 -4.208 9.458 1.00 0.53 H new ATOM 0 HB2 ALA A 39 7.173 -4.014 9.629 1.00 0.53 H new ATOM 0 HB3 ALA A 39 7.951 -5.539 10.115 1.00 0.53 H new ATOM 585 N LEU A 40 9.730 -5.893 6.713 1.00 0.51 N ATOM 586 CA LEU A 40 10.875 -6.769 6.375 1.00 0.48 C ATOM 587 C LEU A 40 12.059 -6.259 7.178 1.00 0.43 C ATOM 588 O LEU A 40 12.182 -5.079 7.397 1.00 0.44 O ATOM 589 CB LEU A 40 11.190 -6.666 4.882 1.00 0.54 C ATOM 590 CG LEU A 40 9.941 -6.991 4.068 1.00 0.67 C ATOM 591 CD1 LEU A 40 9.958 -6.169 2.778 1.00 0.58 C ATOM 592 CD2 LEU A 40 9.936 -8.483 3.726 1.00 0.77 C ATOM 0 H LEU A 40 9.657 -5.039 6.159 1.00 0.51 H new ATOM 0 HA LEU A 40 10.653 -7.811 6.605 1.00 0.48 H new ATOM 0 HB2 LEU A 40 11.540 -5.662 4.643 1.00 0.54 H new ATOM 0 HB3 LEU A 40 11.994 -7.354 4.622 1.00 0.54 H new ATOM 0 HG LEU A 40 9.048 -6.749 4.644 1.00 0.67 H new ATOM 0 HD11 LEU A 40 9.068 -6.396 2.190 1.00 0.58 H new ATOM 0 HD12 LEU A 40 9.970 -5.107 3.023 1.00 0.58 H new ATOM 0 HD13 LEU A 40 10.848 -6.418 2.200 1.00 0.58 H new ATOM 0 HD21 LEU A 40 9.045 -8.720 3.144 1.00 0.77 H new ATOM 0 HD22 LEU A 40 10.825 -8.726 3.144 1.00 0.77 H new ATOM 0 HD23 LEU A 40 9.934 -9.067 4.646 1.00 0.77 H new ATOM 604 N PHE A 41 12.920 -7.114 7.634 1.00 0.39 N ATOM 605 CA PHE A 41 14.074 -6.614 8.423 1.00 0.35 C ATOM 606 C PHE A 41 15.161 -7.678 8.464 1.00 0.32 C ATOM 607 O PHE A 41 14.888 -8.851 8.613 1.00 0.30 O ATOM 608 CB PHE A 41 13.620 -6.266 9.842 1.00 0.28 C ATOM 609 CG PHE A 41 12.875 -7.427 10.440 1.00 0.19 C ATOM 610 CD1 PHE A 41 13.585 -8.445 11.077 1.00 0.11 C ATOM 611 CD2 PHE A 41 11.479 -7.477 10.367 1.00 0.20 C ATOM 612 CE1 PHE A 41 12.903 -9.521 11.646 1.00 0.10 C ATOM 613 CE2 PHE A 41 10.786 -8.555 10.934 1.00 0.12 C ATOM 614 CZ PHE A 41 11.501 -9.579 11.576 1.00 0.08 C ATOM 0 H PHE A 41 12.879 -8.124 7.499 1.00 0.39 H new ATOM 0 HA PHE A 41 14.474 -5.715 7.953 1.00 0.35 H new ATOM 0 HB2 PHE A 41 14.484 -6.020 10.460 1.00 0.28 H new ATOM 0 HB3 PHE A 41 12.981 -5.384 9.822 1.00 0.28 H new ATOM 0 HD1 PHE A 41 14.663 -8.400 11.130 1.00 0.11 H new ATOM 0 HD2 PHE A 41 10.935 -6.685 9.874 1.00 0.20 H new ATOM 0 HE1 PHE A 41 13.452 -10.309 12.140 1.00 0.10 H new ATOM 0 HE2 PHE A 41 9.708 -8.598 10.878 1.00 0.12 H new ATOM 0 HZ PHE A 41 10.973 -10.412 12.016 1.00 0.08 H new ATOM 624 N ASP A 42 16.393 -7.285 8.339 1.00 0.35 N ATOM 625 CA ASP A 42 17.483 -8.298 8.377 1.00 0.36 C ATOM 626 C ASP A 42 17.887 -8.543 9.822 1.00 0.29 C ATOM 627 O ASP A 42 18.403 -7.676 10.501 1.00 0.26 O ATOM 628 CB ASP A 42 18.696 -7.815 7.576 1.00 0.45 C ATOM 629 CG ASP A 42 18.766 -8.574 6.249 1.00 1.47 C ATOM 630 OD1 ASP A 42 18.335 -9.715 6.216 1.00 3.45 O ATOM 631 OD2 ASP A 42 19.253 -8.001 5.289 1.00 0.51 O ATOM 0 H ASP A 42 16.693 -6.318 8.213 1.00 0.35 H new ATOM 0 HA ASP A 42 17.122 -9.225 7.931 1.00 0.36 H new ATOM 0 HB2 ASP A 42 18.620 -6.744 7.391 1.00 0.45 H new ATOM 0 HB3 ASP A 42 19.610 -7.975 8.148 1.00 0.45 H new ATOM 636 N ALA A 43 17.649 -9.728 10.294 1.00 0.28 N ATOM 637 CA ALA A 43 18.003 -10.069 11.688 1.00 0.24 C ATOM 638 C ALA A 43 19.432 -9.595 11.973 1.00 0.28 C ATOM 639 O ALA A 43 20.386 -10.111 11.424 1.00 0.36 O ATOM 640 CB ALA A 43 17.926 -11.585 11.832 1.00 0.26 C ATOM 0 H ALA A 43 17.218 -10.485 9.763 1.00 0.28 H new ATOM 0 HA ALA A 43 17.322 -9.588 12.390 1.00 0.24 H new ATOM 0 HB1 ALA A 43 18.183 -11.867 12.853 1.00 0.26 H new ATOM 0 HB2 ALA A 43 16.914 -11.921 11.606 1.00 0.26 H new ATOM 0 HB3 ALA A 43 18.626 -12.052 11.140 1.00 0.26 H new ATOM 646 N ASN A 44 19.592 -8.620 12.826 1.00 0.26 N ATOM 647 CA ASN A 44 20.963 -8.122 13.141 1.00 0.32 C ATOM 648 C ASN A 44 21.603 -9.024 14.198 1.00 0.26 C ATOM 649 O ASN A 44 22.644 -8.719 14.745 1.00 0.27 O ATOM 650 CB ASN A 44 20.879 -6.689 13.673 1.00 0.36 C ATOM 651 CG ASN A 44 20.615 -6.716 15.180 1.00 0.37 C ATOM 652 OD1 ASN A 44 19.459 -6.318 15.634 1.00 0.39 O flip ATOM 653 ND2 ASN A 44 21.470 -7.104 15.953 1.00 0.40 N flip ATOM 0 H ASN A 44 18.834 -8.147 13.318 1.00 0.26 H new ATOM 0 HA ASN A 44 21.570 -8.136 12.236 1.00 0.32 H new ATOM 0 HB2 ASN A 44 21.808 -6.158 13.466 1.00 0.36 H new ATOM 0 HB3 ASN A 44 20.082 -6.147 13.164 1.00 0.36 H new ATOM 0 HD21 ASN A 44 22.374 -7.415 15.599 1.00 0.40 H new ATOM 0 HD22 ASN A 44 21.283 -7.118 16.956 1.00 0.40 H new ATOM 660 N GLN A 45 20.986 -10.137 14.483 1.00 0.23 N ATOM 661 CA GLN A 45 21.546 -11.071 15.495 1.00 0.26 C ATOM 662 C GLN A 45 20.814 -12.407 15.399 1.00 0.22 C ATOM 663 O GLN A 45 19.641 -12.458 15.087 1.00 0.38 O ATOM 664 CB GLN A 45 21.355 -10.493 16.888 1.00 0.26 C ATOM 665 CG GLN A 45 19.860 -10.382 17.177 1.00 0.30 C ATOM 666 CD GLN A 45 19.592 -9.129 18.012 1.00 0.21 C ATOM 667 OE1 GLN A 45 20.196 -8.100 17.793 1.00 0.31 O ATOM 668 NE2 GLN A 45 18.700 -9.174 18.964 1.00 0.40 N ATOM 0 H GLN A 45 20.112 -10.440 14.054 1.00 0.23 H new ATOM 0 HA GLN A 45 22.610 -11.215 15.308 1.00 0.26 H new ATOM 0 HB2 GLN A 45 21.836 -11.131 17.630 1.00 0.26 H new ATOM 0 HB3 GLN A 45 21.826 -9.512 16.957 1.00 0.26 H new ATOM 0 HG2 GLN A 45 19.301 -10.335 16.242 1.00 0.30 H new ATOM 0 HG3 GLN A 45 19.515 -11.268 17.711 1.00 0.30 H new ATOM 0 HE21 GLN A 45 18.193 -10.040 19.147 1.00 0.40 H new ATOM 0 HE22 GLN A 45 18.510 -8.343 19.525 1.00 0.40 H new ATOM 677 N ASN A 46 21.487 -13.491 15.664 1.00 0.17 N ATOM 678 CA ASN A 46 20.810 -14.813 15.583 1.00 0.17 C ATOM 679 C ASN A 46 20.083 -15.085 16.905 1.00 0.21 C ATOM 680 O ASN A 46 20.692 -15.222 17.946 1.00 0.41 O ATOM 681 CB ASN A 46 21.847 -15.906 15.316 1.00 0.27 C ATOM 682 CG ASN A 46 22.629 -16.199 16.595 1.00 0.46 C ATOM 683 OD1 ASN A 46 23.597 -15.530 16.897 1.00 1.74 O ATOM 684 ND2 ASN A 46 22.246 -17.179 17.366 1.00 2.69 N ATOM 0 H ASN A 46 22.471 -13.519 15.932 1.00 0.17 H new ATOM 0 HA ASN A 46 20.087 -14.810 14.768 1.00 0.17 H new ATOM 0 HB2 ASN A 46 21.352 -16.812 14.965 1.00 0.27 H new ATOM 0 HB3 ASN A 46 22.528 -15.589 14.527 1.00 0.27 H new ATOM 0 HD21 ASN A 46 22.759 -17.384 18.223 1.00 2.69 H new ATOM 0 HD22 ASN A 46 21.433 -17.740 17.112 1.00 2.69 H new ATOM 691 N THR A 47 18.780 -15.140 16.869 1.00 0.05 N ATOM 692 CA THR A 47 18.004 -15.378 18.116 1.00 0.06 C ATOM 693 C THR A 47 16.966 -16.484 17.881 1.00 0.07 C ATOM 694 O THR A 47 16.543 -16.725 16.768 1.00 0.06 O ATOM 695 CB THR A 47 17.294 -14.078 18.502 1.00 0.05 C ATOM 696 OG1 THR A 47 16.346 -14.343 19.521 1.00 0.10 O ATOM 697 CG2 THR A 47 16.580 -13.505 17.278 1.00 0.07 C ATOM 0 H THR A 47 18.218 -15.030 16.025 1.00 0.05 H new ATOM 0 HA THR A 47 18.674 -15.691 18.917 1.00 0.06 H new ATOM 0 HB THR A 47 18.027 -13.357 18.866 1.00 0.05 H new ATOM 0 HG1 THR A 47 15.478 -13.966 19.267 1.00 0.10 H new ATOM 0 HG21 THR A 47 16.074 -12.579 17.552 1.00 0.07 H new ATOM 0 HG22 THR A 47 17.309 -13.302 16.494 1.00 0.07 H new ATOM 0 HG23 THR A 47 15.847 -14.225 16.914 1.00 0.07 H new ATOM 705 N LYS A 48 16.557 -17.160 18.924 1.00 0.10 N ATOM 706 CA LYS A 48 15.550 -18.255 18.770 1.00 0.11 C ATOM 707 C LYS A 48 14.144 -17.701 18.967 1.00 0.15 C ATOM 708 O LYS A 48 13.163 -18.365 18.702 1.00 0.15 O ATOM 709 CB LYS A 48 15.817 -19.333 19.818 1.00 0.10 C ATOM 710 CG LYS A 48 17.001 -20.176 19.366 1.00 0.07 C ATOM 711 CD LYS A 48 16.488 -21.405 18.612 1.00 0.27 C ATOM 712 CE LYS A 48 15.610 -22.242 19.548 1.00 0.57 C ATOM 713 NZ LYS A 48 15.541 -23.646 19.051 1.00 0.20 N ATOM 0 H LYS A 48 16.878 -17.001 19.879 1.00 0.10 H new ATOM 0 HA LYS A 48 15.631 -18.680 17.769 1.00 0.11 H new ATOM 0 HB2 LYS A 48 16.027 -18.875 20.785 1.00 0.10 H new ATOM 0 HB3 LYS A 48 14.935 -19.960 19.947 1.00 0.10 H new ATOM 0 HG2 LYS A 48 17.656 -19.588 18.723 1.00 0.07 H new ATOM 0 HG3 LYS A 48 17.593 -20.485 20.228 1.00 0.07 H new ATOM 0 HD2 LYS A 48 15.916 -21.097 17.737 1.00 0.27 H new ATOM 0 HD3 LYS A 48 17.326 -22.001 18.251 1.00 0.27 H new ATOM 0 HE2 LYS A 48 16.018 -22.223 20.558 1.00 0.57 H new ATOM 0 HE3 LYS A 48 14.608 -21.815 19.601 1.00 0.57 H new ATOM 0 HZ1 LYS A 48 14.944 -24.211 19.689 1.00 0.20 H new ATOM 0 HZ2 LYS A 48 15.132 -23.656 18.095 1.00 0.20 H new ATOM 0 HZ3 LYS A 48 16.498 -24.052 19.023 1.00 0.20 H new ATOM 727 N THR A 49 14.035 -16.492 19.429 1.00 0.21 N ATOM 728 CA THR A 49 12.685 -15.909 19.639 1.00 0.26 C ATOM 729 C THR A 49 12.719 -14.409 19.390 1.00 0.23 C ATOM 730 O THR A 49 13.638 -13.715 19.772 1.00 0.21 O ATOM 731 CB THR A 49 12.223 -16.179 21.064 1.00 0.31 C ATOM 732 OG1 THR A 49 13.295 -15.942 21.967 1.00 0.28 O ATOM 733 CG2 THR A 49 11.775 -17.631 21.160 1.00 0.36 C ATOM 0 H THR A 49 14.818 -15.884 19.670 1.00 0.21 H new ATOM 0 HA THR A 49 11.989 -16.371 18.939 1.00 0.26 H new ATOM 0 HB THR A 49 11.395 -15.518 21.322 1.00 0.31 H new ATOM 0 HG1 THR A 49 12.995 -16.115 22.884 1.00 0.28 H new ATOM 0 HG21 THR A 49 11.440 -17.842 22.176 1.00 0.36 H new ATOM 0 HG22 THR A 49 10.955 -17.805 20.464 1.00 0.36 H new ATOM 0 HG23 THR A 49 12.609 -18.286 20.909 1.00 0.36 H new ATOM 741 N ALA A 50 11.712 -13.906 18.756 1.00 0.23 N ATOM 742 CA ALA A 50 11.662 -12.457 18.471 1.00 0.19 C ATOM 743 C ALA A 50 10.326 -11.901 18.945 1.00 0.18 C ATOM 744 O ALA A 50 9.350 -12.613 19.029 1.00 0.17 O ATOM 745 CB ALA A 50 11.817 -12.232 16.977 1.00 0.18 C ATOM 0 H ALA A 50 10.912 -14.441 18.419 1.00 0.23 H new ATOM 0 HA ALA A 50 12.471 -11.947 18.994 1.00 0.19 H new ATOM 0 HB1 ALA A 50 11.780 -11.164 16.764 1.00 0.18 H new ATOM 0 HB2 ALA A 50 12.774 -12.635 16.646 1.00 0.18 H new ATOM 0 HB3 ALA A 50 11.008 -12.735 16.447 1.00 0.18 H new ATOM 751 N LYS A 51 10.274 -10.644 19.272 1.00 0.17 N ATOM 752 CA LYS A 51 8.994 -10.071 19.763 1.00 0.14 C ATOM 753 C LYS A 51 8.693 -8.746 19.068 1.00 0.14 C ATOM 754 O LYS A 51 9.546 -7.900 18.941 1.00 0.10 O ATOM 755 CB LYS A 51 9.118 -9.804 21.262 1.00 0.15 C ATOM 756 CG LYS A 51 8.641 -11.019 22.052 1.00 0.15 C ATOM 757 CD LYS A 51 7.887 -10.541 23.294 1.00 0.16 C ATOM 758 CE LYS A 51 8.543 -9.260 23.831 1.00 0.21 C ATOM 759 NZ LYS A 51 8.510 -9.279 25.321 1.00 0.44 N ATOM 0 H LYS A 51 11.056 -9.992 19.221 1.00 0.17 H new ATOM 0 HA LYS A 51 8.192 -10.778 19.553 1.00 0.14 H new ATOM 0 HB2 LYS A 51 10.154 -9.580 21.515 1.00 0.15 H new ATOM 0 HB3 LYS A 51 8.527 -8.929 21.534 1.00 0.15 H new ATOM 0 HG2 LYS A 51 7.992 -11.639 21.433 1.00 0.15 H new ATOM 0 HG3 LYS A 51 9.491 -11.637 22.342 1.00 0.15 H new ATOM 0 HD2 LYS A 51 6.842 -10.351 23.048 1.00 0.16 H new ATOM 0 HD3 LYS A 51 7.898 -11.316 24.060 1.00 0.16 H new ATOM 0 HE2 LYS A 51 9.572 -9.189 23.479 1.00 0.21 H new ATOM 0 HE3 LYS A 51 8.017 -8.383 23.455 1.00 0.21 H new ATOM 0 HZ1 LYS A 51 8.953 -8.413 25.689 1.00 0.44 H new ATOM 0 HZ2 LYS A 51 7.523 -9.328 25.646 1.00 0.44 H new ATOM 0 HZ3 LYS A 51 9.030 -10.109 25.669 1.00 0.44 H new ATOM 773 N ILE A 52 7.475 -8.533 18.657 1.00 0.20 N ATOM 774 CA ILE A 52 7.145 -7.233 18.017 1.00 0.20 C ATOM 775 C ILE A 52 6.695 -6.282 19.123 1.00 0.19 C ATOM 776 O ILE A 52 6.204 -6.706 20.151 1.00 0.19 O ATOM 777 CB ILE A 52 6.026 -7.411 16.991 1.00 0.18 C ATOM 778 CG1 ILE A 52 5.578 -6.034 16.491 1.00 0.20 C ATOM 779 CG2 ILE A 52 4.846 -8.127 17.643 1.00 0.19 C ATOM 780 CD1 ILE A 52 4.956 -6.172 15.103 1.00 0.16 C ATOM 0 H ILE A 52 6.703 -9.195 18.735 1.00 0.20 H new ATOM 0 HA ILE A 52 8.015 -6.835 17.494 1.00 0.20 H new ATOM 0 HB ILE A 52 6.388 -8.005 16.152 1.00 0.18 H new ATOM 0 HG12 ILE A 52 4.856 -5.602 17.183 1.00 0.20 H new ATOM 0 HG13 ILE A 52 6.429 -5.355 16.453 1.00 0.20 H new ATOM 0 HG21 ILE A 52 4.048 -8.254 16.911 1.00 0.19 H new ATOM 0 HG22 ILE A 52 5.167 -9.104 18.003 1.00 0.19 H new ATOM 0 HG23 ILE A 52 4.479 -7.535 18.481 1.00 0.19 H new ATOM 0 HD11 ILE A 52 4.637 -5.192 14.748 1.00 0.16 H new ATOM 0 HD12 ILE A 52 5.692 -6.586 14.414 1.00 0.16 H new ATOM 0 HD13 ILE A 52 4.094 -6.837 15.155 1.00 0.16 H new ATOM 792 N GLU A 53 6.883 -5.008 18.946 1.00 0.20 N ATOM 793 CA GLU A 53 6.490 -4.058 20.025 1.00 0.19 C ATOM 794 C GLU A 53 5.823 -2.826 19.427 1.00 0.13 C ATOM 795 O GLU A 53 6.435 -2.061 18.713 1.00 0.15 O ATOM 796 CB GLU A 53 7.748 -3.622 20.781 1.00 0.26 C ATOM 797 CG GLU A 53 7.664 -4.065 22.244 1.00 0.31 C ATOM 798 CD GLU A 53 8.931 -3.618 22.978 1.00 0.47 C ATOM 799 OE1 GLU A 53 9.033 -2.440 23.277 1.00 0.46 O ATOM 800 OE2 GLU A 53 9.777 -4.461 23.226 1.00 0.62 O ATOM 0 H GLU A 53 7.287 -4.584 18.111 1.00 0.20 H new ATOM 0 HA GLU A 53 5.790 -4.551 20.699 1.00 0.19 H new ATOM 0 HB2 GLU A 53 8.632 -4.055 20.312 1.00 0.26 H new ATOM 0 HB3 GLU A 53 7.857 -2.539 20.727 1.00 0.26 H new ATOM 0 HG2 GLU A 53 6.783 -3.632 22.718 1.00 0.31 H new ATOM 0 HG3 GLU A 53 7.558 -5.148 22.303 1.00 0.31 H new ATOM 807 N ILE A 54 4.579 -2.603 19.727 1.00 0.06 N ATOM 808 CA ILE A 54 3.917 -1.399 19.175 1.00 0.04 C ATOM 809 C ILE A 54 3.493 -0.482 20.322 1.00 0.06 C ATOM 810 O ILE A 54 2.612 -0.804 21.094 1.00 0.05 O ATOM 811 CB ILE A 54 2.680 -1.797 18.378 1.00 0.06 C ATOM 812 CG1 ILE A 54 3.016 -2.970 17.455 1.00 0.14 C ATOM 813 CG2 ILE A 54 2.225 -0.601 17.552 1.00 0.13 C ATOM 814 CD1 ILE A 54 2.851 -4.272 18.233 1.00 0.23 C ATOM 0 H ILE A 54 3.999 -3.194 20.323 1.00 0.06 H new ATOM 0 HA ILE A 54 4.618 -0.881 18.520 1.00 0.04 H new ATOM 0 HB ILE A 54 1.883 -2.101 19.056 1.00 0.06 H new ATOM 0 HG12 ILE A 54 2.360 -2.965 16.585 1.00 0.14 H new ATOM 0 HG13 ILE A 54 4.037 -2.878 17.085 1.00 0.14 H new ATOM 0 HG21 ILE A 54 1.340 -0.872 16.976 1.00 0.13 H new ATOM 0 HG22 ILE A 54 1.986 0.230 18.216 1.00 0.13 H new ATOM 0 HG23 ILE A 54 3.023 -0.304 16.872 1.00 0.13 H new ATOM 0 HD11 ILE A 54 3.088 -5.116 17.585 1.00 0.23 H new ATOM 0 HD12 ILE A 54 3.525 -4.272 19.090 1.00 0.23 H new ATOM 0 HD13 ILE A 54 1.822 -4.360 18.581 1.00 0.23 H new ATOM 826 N LYS A 55 4.100 0.663 20.428 1.00 0.17 N ATOM 827 CA LYS A 55 3.720 1.608 21.513 1.00 0.18 C ATOM 828 C LYS A 55 3.052 2.816 20.873 1.00 0.18 C ATOM 829 O LYS A 55 3.313 3.143 19.741 1.00 0.43 O ATOM 830 CB LYS A 55 4.969 2.056 22.269 1.00 0.14 C ATOM 831 CG LYS A 55 5.515 0.880 23.073 1.00 0.27 C ATOM 832 CD LYS A 55 6.877 1.255 23.661 1.00 0.74 C ATOM 833 CE LYS A 55 7.973 0.946 22.639 1.00 1.57 C ATOM 834 NZ LYS A 55 9.278 1.463 23.139 1.00 2.17 N ATOM 0 H LYS A 55 4.844 0.987 19.810 1.00 0.17 H new ATOM 0 HA LYS A 55 3.041 1.124 22.214 1.00 0.18 H new ATOM 0 HB2 LYS A 55 5.723 2.415 21.569 1.00 0.14 H new ATOM 0 HB3 LYS A 55 4.729 2.886 22.933 1.00 0.14 H new ATOM 0 HG2 LYS A 55 4.821 0.618 23.872 1.00 0.27 H new ATOM 0 HG3 LYS A 55 5.612 0.002 22.434 1.00 0.27 H new ATOM 0 HD2 LYS A 55 6.894 2.313 23.921 1.00 0.74 H new ATOM 0 HD3 LYS A 55 7.054 0.698 24.581 1.00 0.74 H new ATOM 0 HE2 LYS A 55 8.036 -0.129 22.471 1.00 1.57 H new ATOM 0 HE3 LYS A 55 7.731 1.405 21.680 1.00 1.57 H new ATOM 0 HZ1 LYS A 55 10.023 1.253 22.445 1.00 2.17 H new ATOM 0 HZ2 LYS A 55 9.214 2.492 23.278 1.00 2.17 H new ATOM 0 HZ3 LYS A 55 9.509 1.005 24.044 1.00 2.17 H new ATOM 848 N ALA A 56 2.186 3.482 21.565 1.00 0.45 N ATOM 849 CA ALA A 56 1.527 4.654 20.927 1.00 0.41 C ATOM 850 C ALA A 56 1.762 5.917 21.746 1.00 0.45 C ATOM 851 O ALA A 56 2.016 5.870 22.931 1.00 0.93 O ATOM 852 CB ALA A 56 0.029 4.398 20.798 1.00 0.49 C ATOM 0 H ALA A 56 1.906 3.278 22.524 1.00 0.45 H new ATOM 0 HA ALA A 56 1.960 4.796 19.937 1.00 0.41 H new ATOM 0 HB1 ALA A 56 -0.448 5.259 20.330 1.00 0.49 H new ATOM 0 HB2 ALA A 56 -0.137 3.513 20.184 1.00 0.49 H new ATOM 0 HB3 ALA A 56 -0.399 4.239 21.788 1.00 0.49 H new ATOM 858 N SER A 57 1.673 7.048 21.107 1.00 0.17 N ATOM 859 CA SER A 57 1.878 8.337 21.822 1.00 0.25 C ATOM 860 C SER A 57 0.580 9.144 21.765 1.00 0.18 C ATOM 861 O SER A 57 -0.188 9.025 20.836 1.00 0.19 O ATOM 862 CB SER A 57 2.999 9.126 21.144 1.00 0.41 C ATOM 863 OG SER A 57 2.430 10.117 20.298 1.00 0.83 O ATOM 0 H SER A 57 1.465 7.136 20.112 1.00 0.17 H new ATOM 0 HA SER A 57 2.152 8.145 22.860 1.00 0.25 H new ATOM 0 HB2 SER A 57 3.636 9.594 21.895 1.00 0.41 H new ATOM 0 HB3 SER A 57 3.632 8.455 20.563 1.00 0.41 H new ATOM 0 HG SER A 57 3.033 10.888 20.246 1.00 0.83 H new ATOM 869 N LEU A 58 0.323 9.963 22.747 1.00 0.25 N ATOM 870 CA LEU A 58 -0.932 10.770 22.730 1.00 0.20 C ATOM 871 C LEU A 58 -0.576 12.255 22.645 1.00 0.22 C ATOM 872 O LEU A 58 -1.141 13.076 23.337 1.00 0.22 O ATOM 873 CB LEU A 58 -1.721 10.522 24.015 1.00 0.17 C ATOM 874 CG LEU A 58 -2.177 9.062 24.079 1.00 0.24 C ATOM 875 CD1 LEU A 58 -3.322 8.931 25.090 1.00 0.42 C ATOM 876 CD2 LEU A 58 -2.667 8.618 22.700 1.00 0.36 C ATOM 0 H LEU A 58 0.924 10.109 23.558 1.00 0.25 H new ATOM 0 HA LEU A 58 -1.535 10.481 21.869 1.00 0.20 H new ATOM 0 HB2 LEU A 58 -1.103 10.756 24.882 1.00 0.17 H new ATOM 0 HB3 LEU A 58 -2.587 11.183 24.053 1.00 0.17 H new ATOM 0 HG LEU A 58 -1.341 8.434 24.388 1.00 0.24 H new ATOM 0 HD11 LEU A 58 -3.648 7.892 25.137 1.00 0.42 H new ATOM 0 HD12 LEU A 58 -2.977 9.248 26.074 1.00 0.42 H new ATOM 0 HD13 LEU A 58 -4.156 9.560 24.778 1.00 0.42 H new ATOM 0 HD21 LEU A 58 -2.991 7.578 22.746 1.00 0.36 H new ATOM 0 HD22 LEU A 58 -3.503 9.246 22.391 1.00 0.36 H new ATOM 0 HD23 LEU A 58 -1.856 8.713 21.978 1.00 0.36 H new ATOM 888 N ASP A 59 0.364 12.605 21.811 1.00 0.25 N ATOM 889 CA ASP A 59 0.757 14.039 21.702 1.00 0.28 C ATOM 890 C ASP A 59 1.044 14.584 23.104 1.00 0.22 C ATOM 891 O ASP A 59 0.994 15.775 23.344 1.00 0.26 O ATOM 892 CB ASP A 59 -0.382 14.839 21.065 1.00 0.35 C ATOM 893 CG ASP A 59 0.083 16.276 20.813 1.00 0.82 C ATOM 894 OD1 ASP A 59 1.263 16.534 20.985 1.00 0.85 O ATOM 895 OD2 ASP A 59 -0.749 17.094 20.455 1.00 1.17 O ATOM 0 H ASP A 59 0.875 11.965 21.203 1.00 0.25 H new ATOM 0 HA ASP A 59 1.648 14.129 21.080 1.00 0.28 H new ATOM 0 HB2 ASP A 59 -0.687 14.374 20.127 1.00 0.35 H new ATOM 0 HB3 ASP A 59 -1.253 14.837 21.720 1.00 0.35 H new ATOM 900 N GLY A 60 1.341 13.715 24.032 1.00 0.16 N ATOM 901 CA GLY A 60 1.632 14.161 25.424 1.00 0.13 C ATOM 902 C GLY A 60 1.758 12.930 26.325 1.00 0.05 C ATOM 903 O GLY A 60 2.746 12.745 27.007 1.00 0.08 O ATOM 0 H GLY A 60 1.395 12.707 23.884 1.00 0.16 H new ATOM 0 HA2 GLY A 60 2.554 14.742 25.448 1.00 0.13 H new ATOM 0 HA3 GLY A 60 0.836 14.812 25.785 1.00 0.13 H new ATOM 907 N LEU A 61 0.766 12.081 26.322 1.00 0.05 N ATOM 908 CA LEU A 61 0.829 10.855 27.164 1.00 0.08 C ATOM 909 C LEU A 61 1.167 9.657 26.273 1.00 0.18 C ATOM 910 O LEU A 61 0.411 9.296 25.393 1.00 0.26 O ATOM 911 CB LEU A 61 -0.528 10.623 27.839 1.00 0.07 C ATOM 912 CG LEU A 61 -0.519 11.259 29.229 1.00 2.40 C ATOM 913 CD1 LEU A 61 -0.939 12.724 29.122 1.00 4.36 C ATOM 914 CD2 LEU A 61 -1.500 10.515 30.138 1.00 2.13 C ATOM 0 H LEU A 61 -0.086 12.185 25.771 1.00 0.05 H new ATOM 0 HA LEU A 61 1.595 10.975 27.931 1.00 0.08 H new ATOM 0 HB2 LEU A 61 -1.326 11.055 27.235 1.00 0.07 H new ATOM 0 HB3 LEU A 61 -0.730 9.555 27.917 1.00 0.07 H new ATOM 0 HG LEU A 61 0.485 11.197 29.649 1.00 2.40 H new ATOM 0 HD11 LEU A 61 -0.933 13.178 30.113 1.00 4.36 H new ATOM 0 HD12 LEU A 61 -0.242 13.256 28.475 1.00 4.36 H new ATOM 0 HD13 LEU A 61 -1.943 12.785 28.702 1.00 4.36 H new ATOM 0 HD21 LEU A 61 -1.493 10.969 31.129 1.00 2.13 H new ATOM 0 HD22 LEU A 61 -2.504 10.576 29.718 1.00 2.13 H new ATOM 0 HD23 LEU A 61 -1.203 9.469 30.216 1.00 2.13 H new ATOM 926 N GLU A 62 2.296 9.038 26.486 1.00 0.23 N ATOM 927 CA GLU A 62 2.663 7.870 25.639 1.00 0.33 C ATOM 928 C GLU A 62 2.168 6.583 26.301 1.00 0.25 C ATOM 929 O GLU A 62 2.524 6.268 27.419 1.00 0.47 O ATOM 930 CB GLU A 62 4.183 7.814 25.468 1.00 0.53 C ATOM 931 CG GLU A 62 4.567 8.417 24.115 1.00 2.34 C ATOM 932 CD GLU A 62 5.986 8.980 24.191 1.00 2.82 C ATOM 933 OE1 GLU A 62 6.280 9.663 25.158 1.00 3.31 O ATOM 934 OE2 GLU A 62 6.755 8.720 23.280 1.00 2.73 O ATOM 0 H GLU A 62 2.975 9.289 27.205 1.00 0.23 H new ATOM 0 HA GLU A 62 2.197 7.973 24.659 1.00 0.33 H new ATOM 0 HB2 GLU A 62 4.671 8.362 26.274 1.00 0.53 H new ATOM 0 HB3 GLU A 62 4.529 6.782 25.530 1.00 0.53 H new ATOM 0 HG2 GLU A 62 4.507 7.657 23.336 1.00 2.34 H new ATOM 0 HG3 GLU A 62 3.865 9.206 23.844 1.00 2.34 H new ATOM 941 N ILE A 63 1.334 5.848 25.621 1.00 0.37 N ATOM 942 CA ILE A 63 0.792 4.597 26.194 1.00 0.27 C ATOM 943 C ILE A 63 1.471 3.390 25.550 1.00 0.18 C ATOM 944 O ILE A 63 2.149 3.489 24.547 1.00 0.18 O ATOM 945 CB ILE A 63 -0.700 4.552 25.875 1.00 0.27 C ATOM 946 CG1 ILE A 63 -1.462 5.515 26.788 1.00 0.36 C ATOM 947 CG2 ILE A 63 -1.248 3.144 26.034 1.00 0.19 C ATOM 948 CD1 ILE A 63 -2.897 5.674 26.282 1.00 0.41 C ATOM 0 H ILE A 63 1.004 6.068 24.681 1.00 0.37 H new ATOM 0 HA ILE A 63 0.968 4.569 27.269 1.00 0.27 H new ATOM 0 HB ILE A 63 -0.835 4.857 24.837 1.00 0.27 H new ATOM 0 HG12 ILE A 63 -1.466 5.137 27.810 1.00 0.36 H new ATOM 0 HG13 ILE A 63 -0.963 6.484 26.809 1.00 0.36 H new ATOM 0 HG21 ILE A 63 -2.313 3.140 25.801 1.00 0.19 H new ATOM 0 HG22 ILE A 63 -0.725 2.471 25.355 1.00 0.19 H new ATOM 0 HG23 ILE A 63 -1.100 2.810 27.061 1.00 0.19 H new ATOM 0 HD11 ILE A 63 -3.439 6.360 26.933 1.00 0.41 H new ATOM 0 HD12 ILE A 63 -2.883 6.072 25.267 1.00 0.41 H new ATOM 0 HD13 ILE A 63 -3.393 4.704 26.285 1.00 0.41 H new ATOM 960 N ASP A 64 1.238 2.250 26.109 1.00 0.14 N ATOM 961 CA ASP A 64 1.788 0.984 25.556 1.00 0.14 C ATOM 962 C ASP A 64 0.606 0.213 24.974 1.00 0.11 C ATOM 963 O ASP A 64 -0.466 0.199 25.545 1.00 0.10 O ATOM 964 CB ASP A 64 2.448 0.173 26.675 1.00 0.23 C ATOM 965 CG ASP A 64 3.828 0.758 26.984 1.00 0.22 C ATOM 966 OD1 ASP A 64 4.497 1.170 26.052 1.00 0.66 O ATOM 967 OD2 ASP A 64 4.191 0.783 28.149 1.00 0.33 O ATOM 0 H ASP A 64 0.674 2.133 26.951 1.00 0.14 H new ATOM 0 HA ASP A 64 2.542 1.178 24.793 1.00 0.14 H new ATOM 0 HB2 ASP A 64 1.825 0.192 27.569 1.00 0.23 H new ATOM 0 HB3 ASP A 64 2.543 -0.871 26.375 1.00 0.23 H new ATOM 972 N VAL A 65 0.760 -0.390 23.833 1.00 0.10 N ATOM 973 CA VAL A 65 -0.399 -1.103 23.230 1.00 0.09 C ATOM 974 C VAL A 65 -0.238 -2.625 23.338 1.00 0.10 C ATOM 975 O VAL A 65 0.548 -3.220 22.628 1.00 0.11 O ATOM 976 CB VAL A 65 -0.502 -0.701 21.767 1.00 0.09 C ATOM 977 CG1 VAL A 65 -1.955 -0.824 21.298 1.00 0.39 C ATOM 978 CG2 VAL A 65 -0.041 0.753 21.621 1.00 0.28 C ATOM 0 H VAL A 65 1.626 -0.422 23.295 1.00 0.10 H new ATOM 0 HA VAL A 65 -1.305 -0.827 23.770 1.00 0.09 H new ATOM 0 HB VAL A 65 0.125 -1.355 21.161 1.00 0.09 H new ATOM 0 HG11 VAL A 65 -2.025 -0.535 20.249 1.00 0.39 H new ATOM 0 HG12 VAL A 65 -2.288 -1.855 21.413 1.00 0.39 H new ATOM 0 HG13 VAL A 65 -2.587 -0.169 21.897 1.00 0.39 H new ATOM 0 HG21 VAL A 65 -0.110 1.053 20.575 1.00 0.28 H new ATOM 0 HG22 VAL A 65 -0.677 1.399 22.227 1.00 0.28 H new ATOM 0 HG23 VAL A 65 0.992 0.843 21.957 1.00 0.28 H new ATOM 988 N PRO A 66 -1.019 -3.207 24.212 1.00 0.10 N ATOM 989 CA PRO A 66 -1.033 -4.661 24.439 1.00 0.11 C ATOM 990 C PRO A 66 -1.922 -5.340 23.392 1.00 0.12 C ATOM 991 O PRO A 66 -2.189 -4.791 22.342 1.00 0.15 O ATOM 992 CB PRO A 66 -1.651 -4.797 25.835 1.00 0.15 C ATOM 993 CG PRO A 66 -2.469 -3.504 26.077 1.00 0.14 C ATOM 994 CD PRO A 66 -1.953 -2.459 25.070 1.00 0.11 C ATOM 0 HA PRO A 66 -0.048 -5.122 24.365 1.00 0.11 H new ATOM 0 HB2 PRO A 66 -2.290 -5.678 25.893 1.00 0.15 H new ATOM 0 HB3 PRO A 66 -0.877 -4.915 26.593 1.00 0.15 H new ATOM 0 HG2 PRO A 66 -3.534 -3.687 25.933 1.00 0.14 H new ATOM 0 HG3 PRO A 66 -2.342 -3.151 27.100 1.00 0.14 H new ATOM 0 HD2 PRO A 66 -2.769 -2.030 24.489 1.00 0.11 H new ATOM 0 HD3 PRO A 66 -1.453 -1.633 25.576 1.00 0.11 H new ATOM 1002 N GLY A 67 -2.395 -6.521 23.678 1.00 0.14 N ATOM 1003 CA GLY A 67 -3.283 -7.226 22.710 1.00 0.18 C ATOM 1004 C GLY A 67 -2.571 -7.402 21.367 1.00 0.28 C ATOM 1005 O GLY A 67 -3.139 -7.164 20.319 1.00 0.78 O ATOM 0 H GLY A 67 -2.205 -7.030 24.541 1.00 0.14 H new ATOM 0 HA2 GLY A 67 -3.567 -8.200 23.109 1.00 0.18 H new ATOM 0 HA3 GLY A 67 -4.203 -6.658 22.570 1.00 0.18 H new ATOM 1009 N ILE A 68 -1.340 -7.828 21.385 1.00 0.39 N ATOM 1010 CA ILE A 68 -0.607 -8.030 20.105 1.00 0.38 C ATOM 1011 C ILE A 68 0.154 -9.356 20.172 1.00 0.33 C ATOM 1012 O ILE A 68 -0.197 -10.249 20.917 1.00 0.48 O ATOM 1013 CB ILE A 68 0.390 -6.894 19.889 1.00 0.41 C ATOM 1014 CG1 ILE A 68 1.437 -6.952 21.001 1.00 0.39 C ATOM 1015 CG2 ILE A 68 -0.338 -5.547 19.914 1.00 0.44 C ATOM 1016 CD1 ILE A 68 2.477 -5.852 20.799 1.00 0.41 C ATOM 0 H ILE A 68 -0.810 -8.045 22.229 1.00 0.39 H new ATOM 0 HA ILE A 68 -1.319 -8.044 19.280 1.00 0.38 H new ATOM 0 HB ILE A 68 0.876 -7.001 18.919 1.00 0.41 H new ATOM 0 HG12 ILE A 68 0.955 -6.834 21.972 1.00 0.39 H new ATOM 0 HG13 ILE A 68 1.923 -7.927 21.003 1.00 0.39 H new ATOM 0 HG21 ILE A 68 0.381 -4.742 19.759 1.00 0.44 H new ATOM 0 HG22 ILE A 68 -1.086 -5.523 19.122 1.00 0.44 H new ATOM 0 HG23 ILE A 68 -0.827 -5.416 20.879 1.00 0.44 H new ATOM 0 HD11 ILE A 68 3.219 -5.902 21.596 1.00 0.41 H new ATOM 0 HD12 ILE A 68 2.969 -5.989 19.836 1.00 0.41 H new ATOM 0 HD13 ILE A 68 1.986 -4.879 20.820 1.00 0.41 H new ATOM 1028 N ASP A 69 1.194 -9.493 19.392 1.00 0.13 N ATOM 1029 CA ASP A 69 1.975 -10.758 19.406 1.00 0.12 C ATOM 1030 C ASP A 69 3.320 -10.518 20.086 1.00 0.11 C ATOM 1031 O ASP A 69 4.214 -9.918 19.521 1.00 0.13 O ATOM 1032 CB ASP A 69 2.208 -11.238 17.967 1.00 0.13 C ATOM 1033 CG ASP A 69 2.946 -12.579 17.985 1.00 0.13 C ATOM 1034 OD1 ASP A 69 2.310 -13.581 18.268 1.00 0.93 O ATOM 1035 OD2 ASP A 69 4.136 -12.581 17.715 1.00 0.79 O ATOM 0 H ASP A 69 1.534 -8.781 18.746 1.00 0.13 H new ATOM 0 HA ASP A 69 1.419 -11.519 19.955 1.00 0.12 H new ATOM 0 HB2 ASP A 69 1.255 -11.343 17.449 1.00 0.13 H new ATOM 0 HB3 ASP A 69 2.790 -10.499 17.416 1.00 0.13 H new ATOM 1040 N THR A 70 3.478 -10.991 21.292 1.00 0.12 N ATOM 1041 CA THR A 70 4.774 -10.801 21.998 1.00 0.17 C ATOM 1042 C THR A 70 5.702 -11.957 21.619 1.00 0.14 C ATOM 1043 O THR A 70 6.316 -12.586 22.458 1.00 0.18 O ATOM 1044 CB THR A 70 4.545 -10.784 23.512 1.00 0.25 C ATOM 1045 OG1 THR A 70 3.397 -11.562 23.823 1.00 0.36 O ATOM 1046 CG2 THR A 70 4.331 -9.341 23.981 1.00 0.38 C ATOM 0 H THR A 70 2.767 -11.500 21.817 1.00 0.12 H new ATOM 0 HA THR A 70 5.225 -9.852 21.708 1.00 0.17 H new ATOM 0 HB THR A 70 5.415 -11.202 24.018 1.00 0.25 H new ATOM 0 HG1 THR A 70 3.249 -11.554 24.792 1.00 0.36 H new ATOM 0 HG21 THR A 70 4.168 -9.329 25.059 1.00 0.38 H new ATOM 0 HG22 THR A 70 5.212 -8.746 23.741 1.00 0.38 H new ATOM 0 HG23 THR A 70 3.461 -8.920 23.478 1.00 0.38 H new ATOM 1054 N ASN A 71 5.793 -12.234 20.349 1.00 0.09 N ATOM 1055 CA ASN A 71 6.661 -13.340 19.860 1.00 0.10 C ATOM 1056 C ASN A 71 6.498 -13.422 18.340 1.00 0.11 C ATOM 1057 O ASN A 71 5.785 -14.258 17.824 1.00 0.21 O ATOM 1058 CB ASN A 71 6.221 -14.657 20.502 1.00 0.14 C ATOM 1059 CG ASN A 71 7.363 -15.674 20.428 1.00 0.71 C ATOM 1060 OD1 ASN A 71 8.183 -15.622 19.533 1.00 0.63 O ATOM 1061 ND2 ASN A 71 7.451 -16.606 21.340 1.00 1.33 N ATOM 0 H ASN A 71 5.293 -11.731 19.616 1.00 0.09 H new ATOM 0 HA ASN A 71 7.703 -13.157 20.121 1.00 0.10 H new ATOM 0 HB2 ASN A 71 5.937 -14.489 21.541 1.00 0.14 H new ATOM 0 HB3 ASN A 71 5.341 -15.046 19.990 1.00 0.14 H new ATOM 0 HD21 ASN A 71 8.208 -17.289 21.300 1.00 1.33 H new ATOM 0 HD22 ASN A 71 6.763 -16.650 22.092 1.00 1.33 H new ATOM 1068 N ALA A 72 7.122 -12.526 17.624 1.00 0.03 N ATOM 1069 CA ALA A 72 6.976 -12.503 16.140 1.00 0.08 C ATOM 1070 C ALA A 72 7.493 -13.792 15.492 1.00 0.13 C ATOM 1071 O ALA A 72 7.351 -13.974 14.308 1.00 0.18 O ATOM 1072 CB ALA A 72 7.743 -11.310 15.578 1.00 0.10 C ATOM 0 H ALA A 72 7.732 -11.803 18.007 1.00 0.03 H new ATOM 0 HA ALA A 72 5.914 -12.419 15.909 1.00 0.08 H new ATOM 0 HB1 ALA A 72 7.639 -11.289 14.493 1.00 0.10 H new ATOM 0 HB2 ALA A 72 7.341 -10.388 15.999 1.00 0.10 H new ATOM 0 HB3 ALA A 72 8.797 -11.399 15.840 1.00 0.10 H new ATOM 1078 N CYS A 73 8.085 -14.689 16.231 1.00 0.13 N ATOM 1079 CA CYS A 73 8.580 -15.948 15.592 1.00 0.17 C ATOM 1080 C CYS A 73 7.382 -16.734 15.044 1.00 0.21 C ATOM 1081 O CYS A 73 7.533 -17.671 14.284 1.00 0.25 O ATOM 1082 CB CYS A 73 9.337 -16.799 16.626 1.00 0.18 C ATOM 1083 SG CYS A 73 9.310 -18.543 16.126 1.00 0.27 S ATOM 0 H CYS A 73 8.247 -14.611 17.235 1.00 0.13 H new ATOM 0 HA CYS A 73 9.261 -15.702 14.777 1.00 0.17 H new ATOM 0 HB2 CYS A 73 10.367 -16.452 16.712 1.00 0.18 H new ATOM 0 HB3 CYS A 73 8.879 -16.686 17.609 1.00 0.18 H new ATOM 1088 N HIS A 74 6.190 -16.356 15.419 1.00 0.22 N ATOM 1089 CA HIS A 74 4.982 -17.083 14.923 1.00 0.27 C ATOM 1090 C HIS A 74 4.696 -16.700 13.468 1.00 0.29 C ATOM 1091 O HIS A 74 4.053 -17.429 12.740 1.00 0.34 O ATOM 1092 CB HIS A 74 3.777 -16.714 15.789 1.00 0.26 C ATOM 1093 CG HIS A 74 3.595 -17.759 16.855 1.00 0.46 C ATOM 1094 ND1 HIS A 74 2.741 -17.583 17.933 1.00 1.38 N ATOM 1095 CD2 HIS A 74 4.161 -18.999 17.023 1.00 0.28 C ATOM 1096 CE1 HIS A 74 2.818 -18.690 18.694 1.00 1.39 C ATOM 1097 NE2 HIS A 74 3.669 -19.585 18.185 1.00 0.53 N ATOM 0 H HIS A 74 5.999 -15.576 16.047 1.00 0.22 H new ATOM 0 HA HIS A 74 5.165 -18.156 14.980 1.00 0.27 H new ATOM 0 HB2 HIS A 74 3.928 -15.735 16.244 1.00 0.26 H new ATOM 0 HB3 HIS A 74 2.880 -16.645 15.174 1.00 0.26 H new ATOM 0 HD2 HIS A 74 4.879 -19.451 16.355 1.00 0.28 H new ATOM 0 HE1 HIS A 74 2.259 -18.837 19.606 1.00 1.39 H new ATOM 0 HE2 HIS A 74 3.907 -20.501 18.566 1.00 0.53 H new ATOM 1105 N PHE A 75 5.168 -15.564 13.041 1.00 0.27 N ATOM 1106 CA PHE A 75 4.926 -15.135 11.634 1.00 0.31 C ATOM 1107 C PHE A 75 6.242 -15.212 10.863 1.00 0.35 C ATOM 1108 O PHE A 75 6.273 -15.478 9.679 1.00 0.52 O ATOM 1109 CB PHE A 75 4.404 -13.699 11.629 1.00 0.29 C ATOM 1110 CG PHE A 75 3.185 -13.613 12.513 1.00 0.28 C ATOM 1111 CD1 PHE A 75 1.998 -14.249 12.130 1.00 0.57 C ATOM 1112 CD2 PHE A 75 3.240 -12.902 13.717 1.00 0.04 C ATOM 1113 CE1 PHE A 75 0.868 -14.175 12.951 1.00 0.57 C ATOM 1114 CE2 PHE A 75 2.110 -12.827 14.539 1.00 0.11 C ATOM 1115 CZ PHE A 75 0.924 -13.464 14.156 1.00 0.31 C ATOM 0 H PHE A 75 5.712 -14.912 13.605 1.00 0.27 H new ATOM 0 HA PHE A 75 4.189 -15.785 11.163 1.00 0.31 H new ATOM 0 HB2 PHE A 75 5.176 -13.017 11.986 1.00 0.29 H new ATOM 0 HB3 PHE A 75 4.154 -13.394 10.613 1.00 0.29 H new ATOM 0 HD1 PHE A 75 1.955 -14.797 11.200 1.00 0.57 H new ATOM 0 HD2 PHE A 75 4.155 -12.411 14.012 1.00 0.04 H new ATOM 0 HE1 PHE A 75 -0.047 -14.666 12.656 1.00 0.57 H new ATOM 0 HE2 PHE A 75 2.153 -12.278 15.468 1.00 0.11 H new ATOM 0 HZ PHE A 75 0.052 -13.407 14.790 1.00 0.31 H new ATOM 1125 N VAL A 76 7.331 -15.000 11.544 1.00 0.20 N ATOM 1126 CA VAL A 76 8.659 -15.079 10.886 1.00 0.24 C ATOM 1127 C VAL A 76 9.261 -16.450 11.195 1.00 0.26 C ATOM 1128 O VAL A 76 8.778 -17.171 12.045 1.00 0.27 O ATOM 1129 CB VAL A 76 9.563 -13.952 11.405 1.00 0.25 C ATOM 1130 CG1 VAL A 76 8.754 -12.671 11.547 1.00 0.20 C ATOM 1131 CG2 VAL A 76 10.156 -14.341 12.761 1.00 0.25 C ATOM 0 H VAL A 76 7.356 -14.773 12.538 1.00 0.20 H new ATOM 0 HA VAL A 76 8.563 -14.959 9.807 1.00 0.24 H new ATOM 0 HB VAL A 76 10.374 -13.790 10.695 1.00 0.25 H new ATOM 0 HG11 VAL A 76 9.398 -11.873 11.916 1.00 0.20 H new ATOM 0 HG12 VAL A 76 8.346 -12.389 10.576 1.00 0.20 H new ATOM 0 HG13 VAL A 76 7.938 -12.832 12.251 1.00 0.20 H new ATOM 0 HG21 VAL A 76 10.796 -13.536 13.122 1.00 0.25 H new ATOM 0 HG22 VAL A 76 9.350 -14.512 13.475 1.00 0.25 H new ATOM 0 HG23 VAL A 76 10.745 -15.252 12.653 1.00 0.25 H new ATOM 1141 N LYS A 77 10.285 -16.833 10.491 1.00 0.26 N ATOM 1142 CA LYS A 77 10.885 -18.180 10.727 1.00 0.27 C ATOM 1143 C LYS A 77 12.011 -18.117 11.766 1.00 0.28 C ATOM 1144 O LYS A 77 13.164 -17.936 11.435 1.00 0.34 O ATOM 1145 CB LYS A 77 11.437 -18.786 9.418 1.00 0.29 C ATOM 1146 CG LYS A 77 11.894 -17.710 8.421 1.00 0.31 C ATOM 1147 CD LYS A 77 11.007 -17.754 7.172 1.00 0.86 C ATOM 1148 CE LYS A 77 9.583 -17.316 7.523 1.00 1.35 C ATOM 1149 NZ LYS A 77 8.605 -18.213 6.848 1.00 1.09 N ATOM 0 H LYS A 77 10.734 -16.277 9.764 1.00 0.26 H new ATOM 0 HA LYS A 77 10.086 -18.817 11.107 1.00 0.27 H new ATOM 0 HB2 LYS A 77 12.276 -19.442 9.650 1.00 0.29 H new ATOM 0 HB3 LYS A 77 10.668 -19.404 8.954 1.00 0.29 H new ATOM 0 HG2 LYS A 77 11.839 -16.725 8.884 1.00 0.31 H new ATOM 0 HG3 LYS A 77 12.936 -17.875 8.145 1.00 0.31 H new ATOM 0 HD2 LYS A 77 11.417 -17.101 6.402 1.00 0.86 H new ATOM 0 HD3 LYS A 77 10.994 -18.763 6.761 1.00 0.86 H new ATOM 0 HE2 LYS A 77 9.437 -17.349 8.603 1.00 1.35 H new ATOM 0 HE3 LYS A 77 9.421 -16.284 7.211 1.00 1.35 H new ATOM 0 HZ1 LYS A 77 7.638 -17.915 7.087 1.00 1.09 H new ATOM 0 HZ2 LYS A 77 8.739 -18.160 5.818 1.00 1.09 H new ATOM 0 HZ3 LYS A 77 8.754 -19.192 7.167 1.00 1.09 H new ATOM 1163 N CYS A 78 11.689 -18.311 13.017 1.00 0.24 N ATOM 1164 CA CYS A 78 12.752 -18.307 14.064 1.00 0.24 C ATOM 1165 C CYS A 78 13.277 -19.744 14.196 1.00 0.30 C ATOM 1166 O CYS A 78 12.573 -20.675 13.864 1.00 0.32 O ATOM 1167 CB CYS A 78 12.174 -17.818 15.398 1.00 0.16 C ATOM 1168 SG CYS A 78 11.240 -19.148 16.197 1.00 0.21 S ATOM 0 H CYS A 78 10.741 -18.471 13.358 1.00 0.24 H new ATOM 0 HA CYS A 78 13.564 -17.634 13.788 1.00 0.24 H new ATOM 0 HB2 CYS A 78 12.980 -17.485 16.052 1.00 0.16 H new ATOM 0 HB3 CYS A 78 11.525 -16.958 15.229 1.00 0.16 H new ATOM 1173 N PRO A 79 14.508 -19.897 14.625 1.00 0.33 N ATOM 1174 CA PRO A 79 15.393 -18.789 15.039 1.00 0.34 C ATOM 1175 C PRO A 79 15.813 -17.904 13.875 1.00 0.36 C ATOM 1176 O PRO A 79 16.296 -18.366 12.859 1.00 0.38 O ATOM 1177 CB PRO A 79 16.616 -19.493 15.636 1.00 0.39 C ATOM 1178 CG PRO A 79 16.601 -20.929 15.090 1.00 0.43 C ATOM 1179 CD PRO A 79 15.145 -21.225 14.694 1.00 0.40 C ATOM 0 HA PRO A 79 14.888 -18.121 15.737 1.00 0.34 H new ATOM 0 HB2 PRO A 79 17.535 -18.980 15.354 1.00 0.39 H new ATOM 0 HB3 PRO A 79 16.572 -19.491 16.725 1.00 0.39 H new ATOM 0 HG2 PRO A 79 17.265 -21.025 14.231 1.00 0.43 H new ATOM 0 HG3 PRO A 79 16.950 -21.635 15.843 1.00 0.43 H new ATOM 0 HD2 PRO A 79 15.091 -21.742 13.736 1.00 0.40 H new ATOM 0 HD3 PRO A 79 14.655 -21.863 15.429 1.00 0.40 H new ATOM 1187 N LEU A 80 15.660 -16.622 14.044 1.00 0.36 N ATOM 1188 CA LEU A 80 16.079 -15.682 12.986 1.00 0.37 C ATOM 1189 C LEU A 80 17.591 -15.629 13.016 1.00 0.39 C ATOM 1190 O LEU A 80 18.191 -15.223 13.985 1.00 0.37 O ATOM 1191 CB LEU A 80 15.515 -14.299 13.271 1.00 0.37 C ATOM 1192 CG LEU A 80 14.008 -14.409 13.484 1.00 0.36 C ATOM 1193 CD1 LEU A 80 13.517 -13.223 14.312 1.00 0.28 C ATOM 1194 CD2 LEU A 80 13.317 -14.403 12.125 1.00 0.47 C ATOM 0 H LEU A 80 15.260 -16.188 14.876 1.00 0.36 H new ATOM 0 HA LEU A 80 15.716 -16.007 12.011 1.00 0.37 H new ATOM 0 HB2 LEU A 80 15.990 -13.874 14.155 1.00 0.37 H new ATOM 0 HB3 LEU A 80 15.729 -13.627 12.440 1.00 0.37 H new ATOM 0 HG LEU A 80 13.777 -15.333 14.014 1.00 0.36 H new ATOM 0 HD11 LEU A 80 12.440 -13.305 14.462 1.00 0.28 H new ATOM 0 HD12 LEU A 80 14.019 -13.222 15.279 1.00 0.28 H new ATOM 0 HD13 LEU A 80 13.740 -12.295 13.786 1.00 0.28 H new ATOM 0 HD21 LEU A 80 12.239 -14.481 12.265 1.00 0.47 H new ATOM 0 HD22 LEU A 80 13.549 -13.475 11.603 1.00 0.47 H new ATOM 0 HD23 LEU A 80 13.669 -15.249 11.534 1.00 0.47 H new ATOM 1206 N VAL A 81 18.216 -16.061 11.979 1.00 0.43 N ATOM 1207 CA VAL A 81 19.699 -16.063 11.980 1.00 0.43 C ATOM 1208 C VAL A 81 20.226 -14.687 11.585 1.00 0.42 C ATOM 1209 O VAL A 81 19.680 -14.017 10.731 1.00 0.39 O ATOM 1210 CB VAL A 81 20.209 -17.133 11.020 1.00 0.38 C ATOM 1211 CG1 VAL A 81 21.723 -16.987 10.858 1.00 0.34 C ATOM 1212 CG2 VAL A 81 19.882 -18.515 11.601 1.00 0.41 C ATOM 0 H VAL A 81 17.775 -16.413 11.130 1.00 0.43 H new ATOM 0 HA VAL A 81 20.060 -16.291 12.983 1.00 0.43 H new ATOM 0 HB VAL A 81 19.732 -17.021 10.046 1.00 0.38 H new ATOM 0 HG11 VAL A 81 22.091 -17.750 10.172 1.00 0.34 H new ATOM 0 HG12 VAL A 81 21.953 -15.999 10.458 1.00 0.34 H new ATOM 0 HG13 VAL A 81 22.206 -17.107 11.828 1.00 0.34 H new ATOM 0 HG21 VAL A 81 20.242 -19.289 10.923 1.00 0.41 H new ATOM 0 HG22 VAL A 81 20.368 -18.627 12.570 1.00 0.41 H new ATOM 0 HG23 VAL A 81 18.803 -18.612 11.723 1.00 0.41 H new ATOM 1222 N LYS A 82 21.281 -14.260 12.222 1.00 0.49 N ATOM 1223 CA LYS A 82 21.863 -12.929 11.926 1.00 0.49 C ATOM 1224 C LYS A 82 22.401 -12.896 10.506 1.00 0.42 C ATOM 1225 O LYS A 82 23.321 -13.607 10.152 1.00 0.39 O ATOM 1226 CB LYS A 82 22.987 -12.656 12.926 1.00 0.54 C ATOM 1227 CG LYS A 82 23.947 -11.629 12.341 1.00 0.90 C ATOM 1228 CD LYS A 82 25.099 -11.380 13.318 1.00 0.83 C ATOM 1229 CE LYS A 82 25.262 -9.876 13.539 1.00 1.91 C ATOM 1230 NZ LYS A 82 26.661 -9.581 13.958 1.00 1.98 N ATOM 0 H LYS A 82 21.769 -14.788 12.945 1.00 0.49 H new ATOM 0 HA LYS A 82 21.095 -12.160 12.016 1.00 0.49 H new ATOM 0 HB2 LYS A 82 22.572 -12.289 13.865 1.00 0.54 H new ATOM 0 HB3 LYS A 82 23.519 -13.580 13.153 1.00 0.54 H new ATOM 0 HG2 LYS A 82 24.337 -11.984 11.387 1.00 0.90 H new ATOM 0 HG3 LYS A 82 23.419 -10.696 12.142 1.00 0.90 H new ATOM 0 HD2 LYS A 82 24.900 -11.879 14.267 1.00 0.83 H new ATOM 0 HD3 LYS A 82 26.023 -11.803 12.923 1.00 0.83 H new ATOM 0 HE2 LYS A 82 25.025 -9.336 12.623 1.00 1.91 H new ATOM 0 HE3 LYS A 82 24.563 -9.532 14.302 1.00 1.91 H new ATOM 0 HZ1 LYS A 82 26.770 -8.558 14.108 1.00 1.98 H new ATOM 0 HZ2 LYS A 82 26.872 -10.085 14.843 1.00 1.98 H new ATOM 0 HZ3 LYS A 82 27.319 -9.894 13.216 1.00 1.98 H new ATOM 1244 N GLY A 83 21.833 -12.056 9.694 1.00 0.42 N ATOM 1245 CA GLY A 83 22.298 -11.943 8.295 1.00 0.37 C ATOM 1246 C GLY A 83 21.169 -12.349 7.350 1.00 0.37 C ATOM 1247 O GLY A 83 21.234 -12.127 6.156 1.00 0.39 O ATOM 0 H GLY A 83 21.060 -11.439 9.944 1.00 0.42 H new ATOM 0 HA2 GLY A 83 22.612 -10.920 8.086 1.00 0.37 H new ATOM 0 HA3 GLY A 83 23.167 -12.582 8.136 1.00 0.37 H new ATOM 1251 N GLN A 84 20.123 -12.924 7.877 1.00 0.37 N ATOM 1252 CA GLN A 84 18.980 -13.323 7.016 1.00 0.39 C ATOM 1253 C GLN A 84 17.899 -12.269 7.168 1.00 0.35 C ATOM 1254 O GLN A 84 17.839 -11.574 8.158 1.00 0.31 O ATOM 1255 CB GLN A 84 18.430 -14.684 7.462 1.00 0.38 C ATOM 1256 CG GLN A 84 17.005 -14.884 6.920 1.00 0.37 C ATOM 1257 CD GLN A 84 17.049 -15.044 5.396 1.00 0.43 C ATOM 1258 OE1 GLN A 84 17.996 -15.758 4.850 1.00 1.52 O flip ATOM 1259 NE2 GLN A 84 16.211 -14.513 4.695 1.00 2.31 N flip ATOM 0 H GLN A 84 20.013 -13.134 8.869 1.00 0.37 H new ATOM 0 HA GLN A 84 19.302 -13.404 5.978 1.00 0.39 H new ATOM 0 HB2 GLN A 84 19.079 -15.482 7.102 1.00 0.38 H new ATOM 0 HB3 GLN A 84 18.425 -14.743 8.550 1.00 0.38 H new ATOM 0 HG2 GLN A 84 16.553 -15.765 7.375 1.00 0.37 H new ATOM 0 HG3 GLN A 84 16.381 -14.032 7.188 1.00 0.37 H new ATOM 0 HE21 GLN A 84 15.470 -13.955 5.120 1.00 2.31 H new ATOM 0 HE22 GLN A 84 16.248 -14.625 3.682 1.00 2.31 H new ATOM 1268 N GLN A 85 17.041 -12.145 6.210 1.00 0.38 N ATOM 1269 CA GLN A 85 15.968 -11.137 6.328 1.00 0.35 C ATOM 1270 C GLN A 85 14.645 -11.866 6.539 1.00 0.33 C ATOM 1271 O GLN A 85 14.467 -12.983 6.098 1.00 0.37 O ATOM 1272 CB GLN A 85 15.920 -10.291 5.058 1.00 0.42 C ATOM 1273 CG GLN A 85 14.473 -10.123 4.626 1.00 0.41 C ATOM 1274 CD GLN A 85 14.399 -9.268 3.356 1.00 0.51 C ATOM 1275 OE1 GLN A 85 13.333 -8.832 2.970 1.00 1.20 O ATOM 1276 NE2 GLN A 85 15.489 -9.008 2.680 1.00 0.95 N ATOM 0 H GLN A 85 17.035 -12.696 5.352 1.00 0.38 H new ATOM 0 HA GLN A 85 16.156 -10.475 7.173 1.00 0.35 H new ATOM 0 HB2 GLN A 85 16.374 -9.317 5.238 1.00 0.42 H new ATOM 0 HB3 GLN A 85 16.496 -10.769 4.266 1.00 0.42 H new ATOM 0 HG2 GLN A 85 14.024 -11.099 4.443 1.00 0.41 H new ATOM 0 HG3 GLN A 85 13.899 -9.653 5.424 1.00 0.41 H new ATOM 0 HE21 GLN A 85 16.387 -9.372 3.000 1.00 0.95 H new ATOM 0 HE22 GLN A 85 15.441 -8.442 1.833 1.00 0.95 H new ATOM 1285 N TYR A 86 13.724 -11.261 7.231 1.00 0.29 N ATOM 1286 CA TYR A 86 12.433 -11.947 7.484 1.00 0.28 C ATOM 1287 C TYR A 86 11.270 -11.013 7.175 1.00 0.31 C ATOM 1288 O TYR A 86 11.363 -9.811 7.328 1.00 0.31 O ATOM 1289 CB TYR A 86 12.377 -12.365 8.951 1.00 0.22 C ATOM 1290 CG TYR A 86 13.377 -13.457 9.188 1.00 0.29 C ATOM 1291 CD1 TYR A 86 14.742 -13.163 9.211 1.00 0.39 C ATOM 1292 CD2 TYR A 86 12.936 -14.764 9.379 1.00 0.28 C ATOM 1293 CE1 TYR A 86 15.670 -14.185 9.426 1.00 0.46 C ATOM 1294 CE2 TYR A 86 13.861 -15.789 9.594 1.00 0.38 C ATOM 1295 CZ TYR A 86 15.230 -15.500 9.616 1.00 0.45 C ATOM 1296 OH TYR A 86 16.146 -16.509 9.827 1.00 0.54 O ATOM 0 H TYR A 86 13.809 -10.326 7.630 1.00 0.29 H new ATOM 0 HA TYR A 86 12.356 -12.824 6.841 1.00 0.28 H new ATOM 0 HB2 TYR A 86 12.593 -11.512 9.594 1.00 0.22 H new ATOM 0 HB3 TYR A 86 11.375 -12.711 9.206 1.00 0.22 H new ATOM 0 HD1 TYR A 86 15.080 -12.148 9.063 1.00 0.39 H new ATOM 0 HD2 TYR A 86 11.879 -14.985 9.361 1.00 0.28 H new ATOM 0 HE1 TYR A 86 16.726 -13.960 9.446 1.00 0.46 H new ATOM 0 HE2 TYR A 86 13.520 -16.803 9.743 1.00 0.38 H new ATOM 0 HH TYR A 86 15.674 -17.360 9.941 1.00 0.54 H new ATOM 1306 N ASP A 87 10.170 -11.563 6.753 1.00 0.34 N ATOM 1307 CA ASP A 87 8.988 -10.722 6.445 1.00 0.38 C ATOM 1308 C ASP A 87 7.849 -11.124 7.379 1.00 0.36 C ATOM 1309 O ASP A 87 7.345 -12.228 7.322 1.00 0.36 O ATOM 1310 CB ASP A 87 8.569 -10.946 4.991 1.00 0.44 C ATOM 1311 CG ASP A 87 8.183 -12.413 4.792 1.00 0.34 C ATOM 1312 OD1 ASP A 87 9.070 -13.249 4.835 1.00 0.67 O ATOM 1313 OD2 ASP A 87 7.006 -12.674 4.600 1.00 0.52 O ATOM 0 H ASP A 87 10.039 -12.564 6.608 1.00 0.34 H new ATOM 0 HA ASP A 87 9.228 -9.668 6.586 1.00 0.38 H new ATOM 0 HB2 ASP A 87 7.728 -10.300 4.740 1.00 0.44 H new ATOM 0 HB3 ASP A 87 9.386 -10.680 4.321 1.00 0.44 H new ATOM 1318 N ILE A 88 7.453 -10.246 8.256 1.00 0.36 N ATOM 1319 CA ILE A 88 6.364 -10.596 9.203 1.00 0.35 C ATOM 1320 C ILE A 88 5.070 -9.863 8.867 1.00 0.34 C ATOM 1321 O ILE A 88 5.010 -8.650 8.832 1.00 0.41 O ATOM 1322 CB ILE A 88 6.758 -10.220 10.625 1.00 0.37 C ATOM 1323 CG1 ILE A 88 5.545 -10.432 11.529 1.00 0.43 C ATOM 1324 CG2 ILE A 88 7.181 -8.749 10.692 1.00 0.32 C ATOM 1325 CD1 ILE A 88 6.001 -10.510 12.980 1.00 0.40 C ATOM 0 H ILE A 88 7.835 -9.306 8.357 1.00 0.36 H new ATOM 0 HA ILE A 88 6.204 -11.671 9.118 1.00 0.35 H new ATOM 0 HB ILE A 88 7.595 -10.839 10.947 1.00 0.37 H new ATOM 0 HG12 ILE A 88 4.836 -9.613 11.403 1.00 0.43 H new ATOM 0 HG13 ILE A 88 5.026 -11.349 11.250 1.00 0.43 H new ATOM 0 HG21 ILE A 88 7.459 -8.497 11.715 1.00 0.32 H new ATOM 0 HG22 ILE A 88 8.034 -8.585 10.033 1.00 0.32 H new ATOM 0 HG23 ILE A 88 6.351 -8.117 10.375 1.00 0.32 H new ATOM 0 HD11 ILE A 88 5.136 -10.661 13.626 1.00 0.40 H new ATOM 0 HD12 ILE A 88 6.693 -11.343 13.100 1.00 0.40 H new ATOM 0 HD13 ILE A 88 6.501 -9.581 13.255 1.00 0.40 H new ATOM 1337 N LYS A 89 4.022 -10.605 8.687 1.00 0.28 N ATOM 1338 CA LYS A 89 2.694 -9.992 8.428 1.00 0.28 C ATOM 1339 C LYS A 89 1.959 -10.041 9.764 1.00 0.22 C ATOM 1340 O LYS A 89 1.560 -11.096 10.213 1.00 0.13 O ATOM 1341 CB LYS A 89 1.938 -10.811 7.377 1.00 0.27 C ATOM 1342 CG LYS A 89 0.696 -10.040 6.926 1.00 0.46 C ATOM 1343 CD LYS A 89 0.997 -9.317 5.612 1.00 1.88 C ATOM 1344 CE LYS A 89 -0.286 -9.195 4.787 1.00 1.74 C ATOM 1345 NZ LYS A 89 -0.305 -7.878 4.088 1.00 3.70 N ATOM 0 H LYS A 89 4.027 -11.625 8.708 1.00 0.28 H new ATOM 0 HA LYS A 89 2.778 -8.973 8.049 1.00 0.28 H new ATOM 0 HB2 LYS A 89 2.585 -11.012 6.523 1.00 0.27 H new ATOM 0 HB3 LYS A 89 1.649 -11.777 7.792 1.00 0.27 H new ATOM 0 HG2 LYS A 89 -0.142 -10.724 6.794 1.00 0.46 H new ATOM 0 HG3 LYS A 89 0.403 -9.321 7.691 1.00 0.46 H new ATOM 0 HD2 LYS A 89 1.406 -8.327 5.815 1.00 1.88 H new ATOM 0 HD3 LYS A 89 1.753 -9.865 5.049 1.00 1.88 H new ATOM 0 HE2 LYS A 89 -0.342 -10.005 4.060 1.00 1.74 H new ATOM 0 HE3 LYS A 89 -1.158 -9.287 5.435 1.00 1.74 H new ATOM 0 HZ1 LYS A 89 -1.177 -7.795 3.527 1.00 3.70 H new ATOM 0 HZ2 LYS A 89 -0.271 -7.112 4.790 1.00 3.70 H new ATOM 0 HZ3 LYS A 89 0.520 -7.807 3.458 1.00 3.70 H new ATOM 1359 N TYR A 90 1.832 -8.936 10.445 1.00 0.34 N ATOM 1360 CA TYR A 90 1.189 -8.996 11.786 1.00 0.38 C ATOM 1361 C TYR A 90 -0.074 -8.139 11.886 1.00 0.39 C ATOM 1362 O TYR A 90 -0.142 -7.032 11.391 1.00 0.44 O ATOM 1363 CB TYR A 90 2.176 -8.519 12.858 1.00 0.45 C ATOM 1364 CG TYR A 90 1.500 -8.685 14.184 1.00 0.41 C ATOM 1365 CD1 TYR A 90 0.936 -9.920 14.493 1.00 0.42 C ATOM 1366 CD2 TYR A 90 1.390 -7.612 15.081 1.00 0.42 C ATOM 1367 CE1 TYR A 90 0.256 -10.096 15.691 1.00 0.42 C ATOM 1368 CE2 TYR A 90 0.717 -7.792 16.289 1.00 0.37 C ATOM 1369 CZ TYR A 90 0.144 -9.036 16.592 1.00 0.36 C ATOM 1370 OH TYR A 90 -0.547 -9.214 17.764 1.00 0.36 O ATOM 0 H TYR A 90 2.139 -8.012 10.139 1.00 0.34 H new ATOM 0 HA TYR A 90 0.904 -10.036 11.942 1.00 0.38 H new ATOM 0 HB2 TYR A 90 3.097 -9.101 12.820 1.00 0.45 H new ATOM 0 HB3 TYR A 90 2.450 -7.477 12.693 1.00 0.45 H new ATOM 0 HD1 TYR A 90 1.028 -10.743 13.799 1.00 0.42 H new ATOM 0 HD2 TYR A 90 1.824 -6.653 14.838 1.00 0.42 H new ATOM 0 HE1 TYR A 90 -0.186 -11.053 15.925 1.00 0.42 H new ATOM 0 HE2 TYR A 90 0.637 -6.975 16.990 1.00 0.37 H new ATOM 0 HH TYR A 90 -1.510 -9.171 17.586 1.00 0.36 H new ATOM 1380 N THR A 91 -1.055 -8.649 12.588 1.00 0.34 N ATOM 1381 CA THR A 91 -2.312 -7.891 12.817 1.00 0.28 C ATOM 1382 C THR A 91 -2.150 -7.178 14.159 1.00 0.35 C ATOM 1383 O THR A 91 -1.515 -7.691 15.056 1.00 1.02 O ATOM 1384 CB THR A 91 -3.500 -8.850 12.884 1.00 0.22 C ATOM 1385 OG1 THR A 91 -3.029 -10.166 13.142 1.00 0.28 O ATOM 1386 CG2 THR A 91 -4.252 -8.826 11.554 1.00 0.10 C ATOM 0 H THR A 91 -1.032 -9.574 13.017 1.00 0.34 H new ATOM 0 HA THR A 91 -2.496 -7.184 12.008 1.00 0.28 H new ATOM 0 HB THR A 91 -4.173 -8.541 13.684 1.00 0.22 H new ATOM 0 HG1 THR A 91 -2.561 -10.183 14.003 1.00 0.28 H new ATOM 0 HG21 THR A 91 -5.099 -9.510 11.603 1.00 0.10 H new ATOM 0 HG22 THR A 91 -4.612 -7.816 11.358 1.00 0.10 H new ATOM 0 HG23 THR A 91 -3.582 -9.135 10.752 1.00 0.10 H new ATOM 1394 N TRP A 92 -2.666 -5.997 14.302 1.00 0.58 N ATOM 1395 CA TRP A 92 -2.469 -5.267 15.585 1.00 0.51 C ATOM 1396 C TRP A 92 -3.808 -4.895 16.219 1.00 0.47 C ATOM 1397 O TRP A 92 -4.342 -3.829 15.991 1.00 0.53 O ATOM 1398 CB TRP A 92 -1.661 -4.011 15.271 1.00 0.54 C ATOM 1399 CG TRP A 92 -1.288 -3.276 16.510 1.00 0.40 C ATOM 1400 CD1 TRP A 92 -0.642 -3.813 17.569 1.00 0.39 C ATOM 1401 CD2 TRP A 92 -1.491 -1.868 16.822 1.00 0.28 C ATOM 1402 NE1 TRP A 92 -0.443 -2.820 18.513 1.00 0.26 N ATOM 1403 CE2 TRP A 92 -0.945 -1.608 18.093 1.00 0.18 C ATOM 1404 CE3 TRP A 92 -2.097 -0.801 16.135 1.00 0.29 C ATOM 1405 CZ2 TRP A 92 -0.982 -0.339 18.654 1.00 0.09 C ATOM 1406 CZ3 TRP A 92 -2.138 0.480 16.711 1.00 0.23 C ATOM 1407 CH2 TRP A 92 -1.581 0.707 17.964 1.00 0.15 C ATOM 0 H TRP A 92 -3.212 -5.505 13.595 1.00 0.58 H new ATOM 0 HA TRP A 92 -1.943 -5.899 16.300 1.00 0.51 H new ATOM 0 HB2 TRP A 92 -0.759 -4.285 14.724 1.00 0.54 H new ATOM 0 HB3 TRP A 92 -2.242 -3.357 14.620 1.00 0.54 H new ATOM 0 HD1 TRP A 92 -0.333 -4.844 17.663 1.00 0.39 H new ATOM 0 HE1 TRP A 92 0.019 -2.968 19.410 1.00 0.26 H new ATOM 0 HE3 TRP A 92 -2.533 -0.967 15.161 1.00 0.29 H new ATOM 0 HZ2 TRP A 92 -0.545 -0.165 19.626 1.00 0.09 H new ATOM 0 HZ3 TRP A 92 -2.605 1.294 16.176 1.00 0.23 H new ATOM 0 HH2 TRP A 92 -1.614 1.694 18.400 1.00 0.15 H new ATOM 1418 N ASN A 93 -4.346 -5.761 17.034 1.00 0.43 N ATOM 1419 CA ASN A 93 -5.641 -5.447 17.694 1.00 0.41 C ATOM 1420 C ASN A 93 -5.452 -4.217 18.581 1.00 0.40 C ATOM 1421 O ASN A 93 -4.820 -4.275 19.618 1.00 0.40 O ATOM 1422 CB ASN A 93 -6.086 -6.633 18.552 1.00 0.38 C ATOM 1423 CG ASN A 93 -7.303 -6.228 19.387 1.00 1.36 C ATOM 1424 OD1 ASN A 93 -7.900 -5.197 19.149 1.00 2.41 O ATOM 1425 ND2 ASN A 93 -7.700 -7.001 20.361 1.00 1.37 N ATOM 0 H ASN A 93 -3.945 -6.669 17.270 1.00 0.43 H new ATOM 0 HA ASN A 93 -6.403 -5.251 16.939 1.00 0.41 H new ATOM 0 HB2 ASN A 93 -6.334 -7.483 17.916 1.00 0.38 H new ATOM 0 HB3 ASN A 93 -5.272 -6.949 19.205 1.00 0.38 H new ATOM 0 HD21 ASN A 93 -8.511 -6.739 20.922 1.00 1.37 H new ATOM 0 HD22 ASN A 93 -7.199 -7.867 20.561 1.00 1.37 H new ATOM 1432 N VAL A 94 -5.991 -3.104 18.175 1.00 0.50 N ATOM 1433 CA VAL A 94 -5.846 -1.862 18.980 1.00 0.60 C ATOM 1434 C VAL A 94 -6.763 -1.945 20.199 1.00 0.53 C ATOM 1435 O VAL A 94 -7.853 -2.474 20.115 1.00 0.45 O ATOM 1436 CB VAL A 94 -6.248 -0.664 18.113 1.00 0.69 C ATOM 1437 CG1 VAL A 94 -6.346 0.601 18.969 1.00 0.90 C ATOM 1438 CG2 VAL A 94 -5.195 -0.453 17.025 1.00 1.19 C ATOM 0 H VAL A 94 -6.529 -3.001 17.315 1.00 0.50 H new ATOM 0 HA VAL A 94 -4.814 -1.746 19.312 1.00 0.60 H new ATOM 0 HB VAL A 94 -7.219 -0.864 17.660 1.00 0.69 H new ATOM 0 HG11 VAL A 94 -6.632 1.444 18.341 1.00 0.90 H new ATOM 0 HG12 VAL A 94 -7.096 0.457 19.747 1.00 0.90 H new ATOM 0 HG13 VAL A 94 -5.379 0.804 19.430 1.00 0.90 H new ATOM 0 HG21 VAL A 94 -5.477 0.398 16.406 1.00 1.19 H new ATOM 0 HG22 VAL A 94 -4.227 -0.260 17.488 1.00 1.19 H new ATOM 0 HG23 VAL A 94 -5.129 -1.347 16.405 1.00 1.19 H new ATOM 1448 N PRO A 95 -6.303 -1.404 21.296 1.00 0.62 N ATOM 1449 CA PRO A 95 -7.083 -1.392 22.543 1.00 0.61 C ATOM 1450 C PRO A 95 -8.260 -0.425 22.402 1.00 0.45 C ATOM 1451 O PRO A 95 -8.129 0.658 21.869 1.00 0.44 O ATOM 1452 CB PRO A 95 -6.076 -0.937 23.603 1.00 0.76 C ATOM 1453 CG PRO A 95 -4.947 -0.208 22.842 1.00 0.84 C ATOM 1454 CD PRO A 95 -4.979 -0.749 21.397 1.00 0.80 C ATOM 0 HA PRO A 95 -7.521 -2.356 22.802 1.00 0.61 H new ATOM 0 HB2 PRO A 95 -6.548 -0.274 24.328 1.00 0.76 H new ATOM 0 HB3 PRO A 95 -5.684 -1.789 24.158 1.00 0.76 H new ATOM 0 HG2 PRO A 95 -5.102 0.871 22.857 1.00 0.84 H new ATOM 0 HG3 PRO A 95 -3.979 -0.398 23.307 1.00 0.84 H new ATOM 0 HD2 PRO A 95 -4.873 0.053 20.667 1.00 0.80 H new ATOM 0 HD3 PRO A 95 -4.168 -1.455 21.216 1.00 0.80 H new ATOM 1462 N LYS A 96 -9.416 -0.829 22.847 1.00 0.40 N ATOM 1463 CA LYS A 96 -10.619 0.039 22.709 1.00 0.32 C ATOM 1464 C LYS A 96 -10.557 1.234 23.669 1.00 0.42 C ATOM 1465 O LYS A 96 -11.490 2.007 23.758 1.00 0.46 O ATOM 1466 CB LYS A 96 -11.867 -0.792 23.004 1.00 0.40 C ATOM 1467 CG LYS A 96 -12.939 -0.475 21.962 1.00 2.37 C ATOM 1468 CD LYS A 96 -12.991 -1.592 20.931 1.00 1.03 C ATOM 1469 CE LYS A 96 -14.179 -2.506 21.228 1.00 1.10 C ATOM 1470 NZ LYS A 96 -14.540 -3.266 19.998 1.00 1.99 N ATOM 0 H LYS A 96 -9.581 -1.727 23.302 1.00 0.40 H new ATOM 0 HA LYS A 96 -10.654 0.427 21.691 1.00 0.32 H new ATOM 0 HB2 LYS A 96 -11.625 -1.854 22.982 1.00 0.40 H new ATOM 0 HB3 LYS A 96 -12.238 -0.570 24.004 1.00 0.40 H new ATOM 0 HG2 LYS A 96 -13.910 -0.366 22.445 1.00 2.37 H new ATOM 0 HG3 LYS A 96 -12.718 0.474 21.474 1.00 2.37 H new ATOM 0 HD2 LYS A 96 -13.083 -1.172 19.929 1.00 1.03 H new ATOM 0 HD3 LYS A 96 -12.064 -2.165 20.953 1.00 1.03 H new ATOM 0 HE2 LYS A 96 -13.929 -3.196 22.034 1.00 1.10 H new ATOM 0 HE3 LYS A 96 -15.030 -1.915 21.567 1.00 1.10 H new ATOM 0 HZ1 LYS A 96 -15.349 -3.888 20.199 1.00 1.99 H new ATOM 0 HZ2 LYS A 96 -14.796 -2.600 19.241 1.00 1.99 H new ATOM 0 HZ3 LYS A 96 -13.728 -3.841 19.694 1.00 1.99 H new ATOM 1484 N ILE A 97 -9.478 1.406 24.386 1.00 0.51 N ATOM 1485 CA ILE A 97 -9.394 2.562 25.317 1.00 0.63 C ATOM 1486 C ILE A 97 -8.799 3.753 24.578 1.00 0.59 C ATOM 1487 O ILE A 97 -9.028 4.893 24.926 1.00 0.63 O ATOM 1488 CB ILE A 97 -8.477 2.207 26.481 1.00 0.77 C ATOM 1489 CG1 ILE A 97 -7.012 2.259 26.025 1.00 0.75 C ATOM 1490 CG2 ILE A 97 -8.809 0.801 26.984 1.00 0.83 C ATOM 1491 CD1 ILE A 97 -6.102 2.124 27.245 1.00 0.98 C ATOM 0 H ILE A 97 -8.658 0.799 24.366 1.00 0.51 H new ATOM 0 HA ILE A 97 -10.390 2.805 25.687 1.00 0.63 H new ATOM 0 HB ILE A 97 -8.626 2.925 27.287 1.00 0.77 H new ATOM 0 HG12 ILE A 97 -6.811 1.456 25.315 1.00 0.75 H new ATOM 0 HG13 ILE A 97 -6.812 3.198 25.509 1.00 0.75 H new ATOM 0 HG21 ILE A 97 -8.153 0.548 27.817 1.00 0.83 H new ATOM 0 HG22 ILE A 97 -9.846 0.769 27.317 1.00 0.83 H new ATOM 0 HG23 ILE A 97 -8.665 0.082 26.177 1.00 0.83 H new ATOM 0 HD11 ILE A 97 -5.060 2.160 26.927 1.00 0.98 H new ATOM 0 HD12 ILE A 97 -6.299 2.942 27.938 1.00 0.98 H new ATOM 0 HD13 ILE A 97 -6.297 1.173 27.741 1.00 0.98 H new ATOM 1503 N ALA A 98 -8.025 3.476 23.565 1.00 0.53 N ATOM 1504 CA ALA A 98 -7.381 4.558 22.774 1.00 0.47 C ATOM 1505 C ALA A 98 -8.338 5.747 22.666 1.00 0.44 C ATOM 1506 O ALA A 98 -9.409 5.628 22.117 1.00 0.44 O ATOM 1507 CB ALA A 98 -7.055 4.039 21.374 1.00 0.49 C ATOM 0 H ALA A 98 -7.809 2.531 23.249 1.00 0.53 H new ATOM 0 HA ALA A 98 -6.462 4.873 23.268 1.00 0.47 H new ATOM 0 HB1 ALA A 98 -6.583 4.831 20.793 1.00 0.49 H new ATOM 0 HB2 ALA A 98 -6.375 3.190 21.450 1.00 0.49 H new ATOM 0 HB3 ALA A 98 -7.974 3.725 20.879 1.00 0.49 H new ATOM 1513 N PRO A 99 -7.928 6.855 23.204 1.00 0.42 N ATOM 1514 CA PRO A 99 -8.733 8.081 23.199 1.00 0.43 C ATOM 1515 C PRO A 99 -8.543 8.801 21.868 1.00 0.43 C ATOM 1516 O PRO A 99 -7.643 8.486 21.119 1.00 0.87 O ATOM 1517 CB PRO A 99 -8.141 8.894 24.356 1.00 0.46 C ATOM 1518 CG PRO A 99 -6.703 8.359 24.575 1.00 0.44 C ATOM 1519 CD PRO A 99 -6.621 6.994 23.863 1.00 0.42 C ATOM 0 HA PRO A 99 -9.804 7.913 23.315 1.00 0.43 H new ATOM 0 HB2 PRO A 99 -8.128 9.957 24.117 1.00 0.46 H new ATOM 0 HB3 PRO A 99 -8.740 8.778 25.259 1.00 0.46 H new ATOM 0 HG2 PRO A 99 -5.967 9.052 24.168 1.00 0.44 H new ATOM 0 HG3 PRO A 99 -6.488 8.254 25.638 1.00 0.44 H new ATOM 0 HD2 PRO A 99 -5.805 6.970 23.140 1.00 0.42 H new ATOM 0 HD3 PRO A 99 -6.443 6.185 24.571 1.00 0.42 H new ATOM 1527 N LYS A 100 -9.363 9.766 21.567 1.00 0.43 N ATOM 1528 CA LYS A 100 -9.185 10.496 20.284 1.00 0.34 C ATOM 1529 C LYS A 100 -8.055 11.504 20.477 1.00 0.34 C ATOM 1530 O LYS A 100 -8.278 12.683 20.665 1.00 0.57 O ATOM 1531 CB LYS A 100 -10.478 11.225 19.907 1.00 0.38 C ATOM 1532 CG LYS A 100 -11.648 10.235 19.888 1.00 0.38 C ATOM 1533 CD LYS A 100 -11.354 9.106 18.899 1.00 1.54 C ATOM 1534 CE LYS A 100 -11.548 7.759 19.595 1.00 4.19 C ATOM 1535 NZ LYS A 100 -12.947 7.650 20.097 1.00 4.83 N ATOM 0 H LYS A 100 -10.141 10.079 22.147 1.00 0.43 H new ATOM 0 HA LYS A 100 -8.943 9.799 19.481 1.00 0.34 H new ATOM 0 HB2 LYS A 100 -10.677 12.023 20.622 1.00 0.38 H new ATOM 0 HB3 LYS A 100 -10.370 11.693 18.928 1.00 0.38 H new ATOM 0 HG2 LYS A 100 -11.806 9.825 20.886 1.00 0.38 H new ATOM 0 HG3 LYS A 100 -12.567 10.749 19.605 1.00 0.38 H new ATOM 0 HD2 LYS A 100 -12.017 9.181 18.037 1.00 1.54 H new ATOM 0 HD3 LYS A 100 -10.334 9.191 18.525 1.00 1.54 H new ATOM 0 HE2 LYS A 100 -11.336 6.946 18.900 1.00 4.19 H new ATOM 0 HE3 LYS A 100 -10.846 7.662 20.423 1.00 4.19 H new ATOM 0 HZ1 LYS A 100 -13.298 6.684 19.939 1.00 4.83 H new ATOM 0 HZ2 LYS A 100 -12.968 7.864 21.114 1.00 4.83 H new ATOM 0 HZ3 LYS A 100 -13.552 8.326 19.588 1.00 4.83 H new ATOM 1549 N SER A 101 -6.840 11.036 20.443 1.00 0.30 N ATOM 1550 CA SER A 101 -5.684 11.941 20.638 1.00 0.29 C ATOM 1551 C SER A 101 -5.389 12.660 19.322 1.00 0.26 C ATOM 1552 O SER A 101 -5.095 12.040 18.320 1.00 0.27 O ATOM 1553 CB SER A 101 -4.479 11.103 21.075 1.00 0.31 C ATOM 1554 OG SER A 101 -3.704 11.846 22.007 1.00 0.49 O ATOM 0 H SER A 101 -6.600 10.057 20.287 1.00 0.30 H new ATOM 0 HA SER A 101 -5.900 12.686 21.404 1.00 0.29 H new ATOM 0 HB2 SER A 101 -4.815 10.169 21.526 1.00 0.31 H new ATOM 0 HB3 SER A 101 -3.872 10.838 20.209 1.00 0.31 H new ATOM 0 HG SER A 101 -3.028 12.368 21.527 1.00 0.49 H new ATOM 1560 N GLU A 102 -5.487 13.968 19.317 1.00 0.24 N ATOM 1561 CA GLU A 102 -5.232 14.743 18.067 1.00 0.23 C ATOM 1562 C GLU A 102 -4.086 14.104 17.283 1.00 0.19 C ATOM 1563 O GLU A 102 -4.206 13.841 16.104 1.00 0.19 O ATOM 1564 CB GLU A 102 -4.870 16.191 18.418 1.00 0.22 C ATOM 1565 CG GLU A 102 -3.902 16.217 19.604 1.00 0.78 C ATOM 1566 CD GLU A 102 -4.301 17.339 20.567 1.00 1.48 C ATOM 1567 OE1 GLU A 102 -5.054 18.206 20.155 1.00 2.75 O ATOM 1568 OE2 GLU A 102 -3.846 17.312 21.698 1.00 1.26 O ATOM 0 H GLU A 102 -5.734 14.532 20.130 1.00 0.24 H new ATOM 0 HA GLU A 102 -6.134 14.735 17.455 1.00 0.23 H new ATOM 0 HB2 GLU A 102 -4.415 16.680 17.556 1.00 0.22 H new ATOM 0 HB3 GLU A 102 -5.773 16.751 18.663 1.00 0.22 H new ATOM 0 HG2 GLU A 102 -3.918 15.257 20.121 1.00 0.78 H new ATOM 0 HG3 GLU A 102 -2.882 16.372 19.251 1.00 0.78 H new ATOM 1575 N ASN A 103 -2.978 13.846 17.921 1.00 0.18 N ATOM 1576 CA ASN A 103 -1.839 13.220 17.199 1.00 0.14 C ATOM 1577 C ASN A 103 -1.321 12.011 17.983 1.00 0.15 C ATOM 1578 O ASN A 103 -1.212 12.041 19.193 1.00 0.16 O ATOM 1579 CB ASN A 103 -0.712 14.243 17.041 1.00 0.09 C ATOM 1580 CG ASN A 103 -1.234 15.463 16.280 1.00 1.75 C ATOM 1581 OD1 ASN A 103 -1.588 16.459 16.878 1.00 2.73 O ATOM 1582 ND2 ASN A 103 -1.301 15.426 14.977 1.00 2.85 N ATOM 0 H ASN A 103 -2.814 14.042 18.909 1.00 0.18 H new ATOM 0 HA ASN A 103 -2.178 12.891 16.217 1.00 0.14 H new ATOM 0 HB2 ASN A 103 -0.340 14.544 18.020 1.00 0.09 H new ATOM 0 HB3 ASN A 103 0.126 13.797 16.504 1.00 0.09 H new ATOM 0 HD21 ASN A 103 -1.651 16.234 14.461 1.00 2.85 H new ATOM 0 HD22 ASN A 103 -1.004 14.590 14.475 1.00 2.85 H new ATOM 1589 N VAL A 104 -0.998 10.948 17.299 1.00 0.15 N ATOM 1590 CA VAL A 104 -0.486 9.736 17.988 1.00 0.16 C ATOM 1591 C VAL A 104 0.801 9.271 17.308 1.00 0.22 C ATOM 1592 O VAL A 104 0.982 9.437 16.119 1.00 0.21 O ATOM 1593 CB VAL A 104 -1.535 8.626 17.914 1.00 0.12 C ATOM 1594 CG1 VAL A 104 -0.954 7.333 18.489 1.00 0.61 C ATOM 1595 CG2 VAL A 104 -2.763 9.038 18.725 1.00 0.54 C ATOM 0 H VAL A 104 -1.068 10.869 16.284 1.00 0.15 H new ATOM 0 HA VAL A 104 -0.280 9.970 19.033 1.00 0.16 H new ATOM 0 HB VAL A 104 -1.820 8.462 16.875 1.00 0.12 H new ATOM 0 HG11 VAL A 104 -1.703 6.543 18.436 1.00 0.61 H new ATOM 0 HG12 VAL A 104 -0.076 7.041 17.913 1.00 0.61 H new ATOM 0 HG13 VAL A 104 -0.669 7.493 19.529 1.00 0.61 H new ATOM 0 HG21 VAL A 104 -3.514 8.249 18.675 1.00 0.54 H new ATOM 0 HG22 VAL A 104 -2.475 9.200 19.764 1.00 0.54 H new ATOM 0 HG23 VAL A 104 -3.177 9.959 18.316 1.00 0.54 H new ATOM 1605 N VAL A 105 1.691 8.674 18.050 1.00 0.26 N ATOM 1606 CA VAL A 105 2.957 8.183 17.446 1.00 0.32 C ATOM 1607 C VAL A 105 3.079 6.697 17.753 1.00 0.30 C ATOM 1608 O VAL A 105 3.051 6.286 18.896 1.00 0.29 O ATOM 1609 CB VAL A 105 4.151 8.934 18.038 1.00 0.35 C ATOM 1610 CG1 VAL A 105 5.311 7.958 18.250 1.00 1.08 C ATOM 1611 CG2 VAL A 105 4.586 10.039 17.074 1.00 0.63 C ATOM 0 H VAL A 105 1.594 8.505 19.051 1.00 0.26 H new ATOM 0 HA VAL A 105 2.947 8.351 16.369 1.00 0.32 H new ATOM 0 HB VAL A 105 3.867 9.375 18.993 1.00 0.35 H new ATOM 0 HG11 VAL A 105 6.163 8.491 18.672 1.00 1.08 H new ATOM 0 HG12 VAL A 105 5.002 7.169 18.935 1.00 1.08 H new ATOM 0 HG13 VAL A 105 5.596 7.518 17.294 1.00 1.08 H new ATOM 0 HG21 VAL A 105 5.437 10.575 17.495 1.00 0.63 H new ATOM 0 HG22 VAL A 105 4.872 9.597 16.119 1.00 0.63 H new ATOM 0 HG23 VAL A 105 3.760 10.733 16.920 1.00 0.63 H new ATOM 1621 N VAL A 106 3.191 5.883 16.747 1.00 0.34 N ATOM 1622 CA VAL A 106 3.289 4.423 16.996 1.00 0.32 C ATOM 1623 C VAL A 106 4.737 3.962 16.811 1.00 0.28 C ATOM 1624 O VAL A 106 5.456 4.457 15.966 1.00 0.35 O ATOM 1625 CB VAL A 106 2.374 3.684 16.026 1.00 0.33 C ATOM 1626 CG1 VAL A 106 2.303 2.208 16.419 1.00 0.37 C ATOM 1627 CG2 VAL A 106 0.975 4.304 16.099 1.00 0.44 C ATOM 0 H VAL A 106 3.219 6.163 15.767 1.00 0.34 H new ATOM 0 HA VAL A 106 2.980 4.204 18.018 1.00 0.32 H new ATOM 0 HB VAL A 106 2.762 3.766 15.011 1.00 0.33 H new ATOM 0 HG11 VAL A 106 1.649 1.678 15.726 1.00 0.37 H new ATOM 0 HG12 VAL A 106 3.302 1.773 16.380 1.00 0.37 H new ATOM 0 HG13 VAL A 106 1.908 2.120 17.431 1.00 0.37 H new ATOM 0 HG21 VAL A 106 0.310 3.784 15.409 1.00 0.44 H new ATOM 0 HG22 VAL A 106 0.589 4.212 17.114 1.00 0.44 H new ATOM 0 HG23 VAL A 106 1.029 5.358 15.826 1.00 0.44 H new ATOM 1637 N THR A 107 5.170 3.023 17.605 1.00 0.16 N ATOM 1638 CA THR A 107 6.568 2.533 17.494 1.00 0.12 C ATOM 1639 C THR A 107 6.567 1.029 17.266 1.00 0.07 C ATOM 1640 O THR A 107 6.194 0.267 18.129 1.00 0.06 O ATOM 1641 CB THR A 107 7.296 2.811 18.807 1.00 0.13 C ATOM 1642 OG1 THR A 107 7.175 4.188 19.134 1.00 0.20 O ATOM 1643 CG2 THR A 107 8.773 2.442 18.662 1.00 0.13 C ATOM 0 H THR A 107 4.611 2.573 18.329 1.00 0.16 H new ATOM 0 HA THR A 107 7.060 3.038 16.663 1.00 0.12 H new ATOM 0 HB THR A 107 6.853 2.212 19.602 1.00 0.13 H new ATOM 0 HG1 THR A 107 7.641 4.366 19.978 1.00 0.20 H new ATOM 0 HG21 THR A 107 9.292 2.641 19.600 1.00 0.13 H new ATOM 0 HG22 THR A 107 8.861 1.384 18.416 1.00 0.13 H new ATOM 0 HG23 THR A 107 9.221 3.038 17.867 1.00 0.13 H new ATOM 1651 N VAL A 108 7.014 0.587 16.131 1.00 0.10 N ATOM 1652 CA VAL A 108 7.058 -0.875 15.884 1.00 0.15 C ATOM 1653 C VAL A 108 8.463 -1.352 16.236 1.00 0.17 C ATOM 1654 O VAL A 108 9.437 -0.794 15.786 1.00 0.16 O ATOM 1655 CB VAL A 108 6.776 -1.140 14.409 1.00 0.22 C ATOM 1656 CG1 VAL A 108 8.014 -1.758 13.750 1.00 0.31 C ATOM 1657 CG2 VAL A 108 5.587 -2.095 14.291 1.00 0.18 C ATOM 0 H VAL A 108 7.350 1.171 15.365 1.00 0.10 H new ATOM 0 HA VAL A 108 6.314 -1.400 16.484 1.00 0.15 H new ATOM 0 HB VAL A 108 6.540 -0.203 13.904 1.00 0.22 H new ATOM 0 HG11 VAL A 108 7.809 -1.946 12.696 1.00 0.31 H new ATOM 0 HG12 VAL A 108 8.855 -1.070 13.839 1.00 0.31 H new ATOM 0 HG13 VAL A 108 8.259 -2.697 14.245 1.00 0.31 H new ATOM 0 HG21 VAL A 108 5.379 -2.289 13.239 1.00 0.18 H new ATOM 0 HG22 VAL A 108 5.823 -3.033 14.794 1.00 0.18 H new ATOM 0 HG23 VAL A 108 4.711 -1.644 14.757 1.00 0.18 H new ATOM 1667 N LYS A 109 8.598 -2.348 17.060 1.00 0.20 N ATOM 1668 CA LYS A 109 9.971 -2.770 17.434 1.00 0.25 C ATOM 1669 C LYS A 109 10.072 -4.286 17.568 1.00 0.20 C ATOM 1670 O LYS A 109 9.336 -4.913 18.303 1.00 0.09 O ATOM 1671 CB LYS A 109 10.326 -2.112 18.769 1.00 0.29 C ATOM 1672 CG LYS A 109 11.731 -2.527 19.190 1.00 0.73 C ATOM 1673 CD LYS A 109 11.843 -2.481 20.716 1.00 0.55 C ATOM 1674 CE LYS A 109 12.589 -1.213 21.134 1.00 1.33 C ATOM 1675 NZ LYS A 109 13.292 -1.458 22.425 1.00 2.34 N ATOM 0 H LYS A 109 7.836 -2.878 17.483 1.00 0.20 H new ATOM 0 HA LYS A 109 10.664 -2.461 16.651 1.00 0.25 H new ATOM 0 HB2 LYS A 109 10.269 -1.027 18.677 1.00 0.29 H new ATOM 0 HB3 LYS A 109 9.606 -2.405 19.533 1.00 0.29 H new ATOM 0 HG2 LYS A 109 11.948 -3.532 18.829 1.00 0.73 H new ATOM 0 HG3 LYS A 109 12.468 -1.861 18.741 1.00 0.73 H new ATOM 0 HD2 LYS A 109 10.850 -2.496 21.165 1.00 0.55 H new ATOM 0 HD3 LYS A 109 12.371 -3.363 21.079 1.00 0.55 H new ATOM 0 HE2 LYS A 109 13.307 -0.929 20.364 1.00 1.33 H new ATOM 0 HE3 LYS A 109 11.889 -0.384 21.239 1.00 1.33 H new ATOM 0 HZ1 LYS A 109 13.800 -0.597 22.712 1.00 2.34 H new ATOM 0 HZ2 LYS A 109 12.597 -1.710 23.156 1.00 2.34 H new ATOM 0 HZ3 LYS A 109 13.970 -2.238 22.309 1.00 2.34 H new ATOM 1689 N LEU A 110 11.012 -4.870 16.888 1.00 0.31 N ATOM 1690 CA LEU A 110 11.211 -6.332 16.986 1.00 0.28 C ATOM 1691 C LEU A 110 12.429 -6.570 17.873 1.00 0.33 C ATOM 1692 O LEU A 110 13.411 -5.862 17.787 1.00 0.43 O ATOM 1693 CB LEU A 110 11.430 -6.911 15.592 1.00 0.40 C ATOM 1694 CG LEU A 110 10.068 -7.062 14.924 1.00 0.53 C ATOM 1695 CD1 LEU A 110 9.860 -5.931 13.919 1.00 1.99 C ATOM 1696 CD2 LEU A 110 9.988 -8.415 14.213 1.00 1.91 C ATOM 0 H LEU A 110 11.657 -4.389 16.262 1.00 0.31 H new ATOM 0 HA LEU A 110 10.338 -6.822 17.417 1.00 0.28 H new ATOM 0 HB2 LEU A 110 12.072 -6.255 15.004 1.00 0.40 H new ATOM 0 HB3 LEU A 110 11.932 -7.876 15.655 1.00 0.40 H new ATOM 0 HG LEU A 110 9.287 -7.013 15.682 1.00 0.53 H new ATOM 0 HD11 LEU A 110 8.886 -6.042 13.443 1.00 1.99 H new ATOM 0 HD12 LEU A 110 9.905 -4.972 14.436 1.00 1.99 H new ATOM 0 HD13 LEU A 110 10.641 -5.971 13.160 1.00 1.99 H new ATOM 0 HD21 LEU A 110 9.013 -8.519 13.737 1.00 1.91 H new ATOM 0 HD22 LEU A 110 10.770 -8.475 13.456 1.00 1.91 H new ATOM 0 HD23 LEU A 110 10.124 -9.216 14.939 1.00 1.91 H new ATOM 1708 N ILE A 111 12.355 -7.522 18.756 1.00 0.27 N ATOM 1709 CA ILE A 111 13.481 -7.766 19.678 1.00 0.33 C ATOM 1710 C ILE A 111 13.828 -9.250 19.690 1.00 0.34 C ATOM 1711 O ILE A 111 13.012 -10.089 20.016 1.00 0.35 O ATOM 1712 CB ILE A 111 13.059 -7.338 21.077 1.00 0.33 C ATOM 1713 CG1 ILE A 111 12.859 -5.823 21.103 1.00 0.34 C ATOM 1714 CG2 ILE A 111 14.142 -7.733 22.067 1.00 0.37 C ATOM 1715 CD1 ILE A 111 11.459 -5.484 20.587 1.00 0.21 C ATOM 0 H ILE A 111 11.555 -8.143 18.875 1.00 0.27 H new ATOM 0 HA ILE A 111 14.354 -7.200 19.354 1.00 0.33 H new ATOM 0 HB ILE A 111 12.124 -7.828 21.349 1.00 0.33 H new ATOM 0 HG12 ILE A 111 12.985 -5.446 22.118 1.00 0.34 H new ATOM 0 HG13 ILE A 111 13.614 -5.335 20.486 1.00 0.34 H new ATOM 0 HG21 ILE A 111 13.846 -7.429 23.071 1.00 0.37 H new ATOM 0 HG22 ILE A 111 14.282 -8.814 22.041 1.00 0.37 H new ATOM 0 HG23 ILE A 111 15.077 -7.240 21.800 1.00 0.37 H new ATOM 0 HD11 ILE A 111 11.316 -4.404 20.605 1.00 0.21 H new ATOM 0 HD12 ILE A 111 11.350 -5.847 19.565 1.00 0.21 H new ATOM 0 HD13 ILE A 111 10.712 -5.960 21.222 1.00 0.21 H new ATOM 1727 N GLY A 112 15.036 -9.579 19.357 1.00 0.33 N ATOM 1728 CA GLY A 112 15.442 -11.007 19.367 1.00 0.33 C ATOM 1729 C GLY A 112 15.774 -11.404 20.800 1.00 0.29 C ATOM 1730 O GLY A 112 15.013 -11.157 21.713 1.00 0.45 O ATOM 0 H GLY A 112 15.764 -8.921 19.077 1.00 0.33 H new ATOM 0 HA2 GLY A 112 14.639 -11.632 18.977 1.00 0.33 H new ATOM 0 HA3 GLY A 112 16.307 -11.160 18.721 1.00 0.33 H new ATOM 1734 N ASP A 113 16.904 -12.006 21.009 1.00 0.20 N ATOM 1735 CA ASP A 113 17.283 -12.404 22.390 1.00 0.41 C ATOM 1736 C ASP A 113 18.541 -11.636 22.806 1.00 0.48 C ATOM 1737 O ASP A 113 19.008 -11.752 23.921 1.00 0.68 O ATOM 1738 CB ASP A 113 17.562 -13.907 22.425 1.00 0.45 C ATOM 1739 CG ASP A 113 16.709 -14.564 23.513 1.00 0.44 C ATOM 1740 OD1 ASP A 113 16.628 -14.004 24.594 1.00 0.77 O ATOM 1741 OD2 ASP A 113 16.151 -15.616 23.246 1.00 0.33 O ATOM 0 H ASP A 113 17.583 -12.241 20.285 1.00 0.20 H new ATOM 0 HA ASP A 113 16.470 -12.172 23.079 1.00 0.41 H new ATOM 0 HB2 ASP A 113 17.337 -14.351 21.455 1.00 0.45 H new ATOM 0 HB3 ASP A 113 18.619 -14.086 22.620 1.00 0.45 H new ATOM 1746 N ASN A 114 19.098 -10.855 21.914 1.00 0.36 N ATOM 1747 CA ASN A 114 20.332 -10.090 22.264 1.00 0.53 C ATOM 1748 C ASN A 114 20.070 -8.582 22.203 1.00 0.40 C ATOM 1749 O ASN A 114 20.884 -7.789 22.637 1.00 0.64 O ATOM 1750 CB ASN A 114 21.444 -10.443 21.276 1.00 0.66 C ATOM 1751 CG ASN A 114 22.425 -9.272 21.185 1.00 1.80 C ATOM 1752 OD1 ASN A 114 23.120 -8.972 22.136 1.00 1.65 O ATOM 1753 ND2 ASN A 114 22.510 -8.591 20.075 1.00 3.70 N ATOM 0 H ASN A 114 18.753 -10.715 20.964 1.00 0.36 H new ATOM 0 HA ASN A 114 20.629 -10.356 23.278 1.00 0.53 H new ATOM 0 HB2 ASN A 114 21.964 -11.344 21.601 1.00 0.66 H new ATOM 0 HB3 ASN A 114 21.021 -10.656 20.294 1.00 0.66 H new ATOM 0 HD21 ASN A 114 23.159 -7.807 20.006 1.00 3.70 H new ATOM 0 HD22 ASN A 114 21.927 -8.842 19.277 1.00 3.70 H new ATOM 1760 N GLY A 115 18.955 -8.173 21.669 1.00 0.10 N ATOM 1761 CA GLY A 115 18.671 -6.709 21.592 1.00 0.16 C ATOM 1762 C GLY A 115 17.465 -6.441 20.683 1.00 0.21 C ATOM 1763 O GLY A 115 16.640 -7.304 20.456 1.00 0.30 O ATOM 0 H GLY A 115 18.232 -8.781 21.285 1.00 0.10 H new ATOM 0 HA2 GLY A 115 18.475 -6.318 22.590 1.00 0.16 H new ATOM 0 HA3 GLY A 115 19.546 -6.183 21.210 1.00 0.16 H new ATOM 1767 N VAL A 116 17.353 -5.242 20.172 1.00 0.15 N ATOM 1768 CA VAL A 116 16.197 -4.905 19.289 1.00 0.22 C ATOM 1769 C VAL A 116 16.523 -5.257 17.836 1.00 0.27 C ATOM 1770 O VAL A 116 17.327 -4.610 17.197 1.00 0.28 O ATOM 1771 CB VAL A 116 15.916 -3.403 19.379 1.00 0.20 C ATOM 1772 CG1 VAL A 116 14.420 -3.162 19.242 1.00 0.21 C ATOM 1773 CG2 VAL A 116 16.393 -2.878 20.734 1.00 0.35 C ATOM 0 H VAL A 116 18.014 -4.481 20.329 1.00 0.15 H new ATOM 0 HA VAL A 116 15.326 -5.474 19.613 1.00 0.22 H new ATOM 0 HB VAL A 116 16.445 -2.883 18.580 1.00 0.20 H new ATOM 0 HG11 VAL A 116 14.216 -2.093 19.306 1.00 0.21 H new ATOM 0 HG12 VAL A 116 14.077 -3.540 18.279 1.00 0.21 H new ATOM 0 HG13 VAL A 116 13.893 -3.680 20.043 1.00 0.21 H new ATOM 0 HG21 VAL A 116 16.194 -1.808 20.800 1.00 0.35 H new ATOM 0 HG22 VAL A 116 15.862 -3.396 21.532 1.00 0.35 H new ATOM 0 HG23 VAL A 116 17.464 -3.055 20.836 1.00 0.35 H new ATOM 1783 N LEU A 117 15.891 -6.267 17.302 1.00 0.34 N ATOM 1784 CA LEU A 117 16.155 -6.640 15.884 1.00 0.41 C ATOM 1785 C LEU A 117 15.950 -5.408 14.998 1.00 0.43 C ATOM 1786 O LEU A 117 16.731 -5.142 14.107 1.00 0.52 O ATOM 1787 CB LEU A 117 15.191 -7.748 15.451 1.00 0.49 C ATOM 1788 CG LEU A 117 15.469 -9.014 16.264 1.00 0.40 C ATOM 1789 CD1 LEU A 117 14.356 -10.036 16.023 1.00 0.48 C ATOM 1790 CD2 LEU A 117 16.814 -9.612 15.839 1.00 0.21 C ATOM 0 H LEU A 117 15.206 -6.848 17.785 1.00 0.34 H new ATOM 0 HA LEU A 117 17.179 -7.001 15.786 1.00 0.41 H new ATOM 0 HB2 LEU A 117 14.160 -7.426 15.600 1.00 0.49 H new ATOM 0 HB3 LEU A 117 15.310 -7.953 14.387 1.00 0.49 H new ATOM 0 HG LEU A 117 15.503 -8.761 17.324 1.00 0.40 H new ATOM 0 HD11 LEU A 117 14.557 -10.936 16.603 1.00 0.48 H new ATOM 0 HD12 LEU A 117 13.400 -9.612 16.330 1.00 0.48 H new ATOM 0 HD13 LEU A 117 14.317 -10.289 14.963 1.00 0.48 H new ATOM 0 HD21 LEU A 117 17.011 -10.514 16.419 1.00 0.21 H new ATOM 0 HD22 LEU A 117 16.782 -9.862 14.779 1.00 0.21 H new ATOM 0 HD23 LEU A 117 17.607 -8.886 16.017 1.00 0.21 H new ATOM 1802 N ALA A 118 14.909 -4.649 15.234 1.00 0.35 N ATOM 1803 CA ALA A 118 14.674 -3.436 14.402 1.00 0.38 C ATOM 1804 C ALA A 118 13.836 -2.431 15.192 1.00 0.27 C ATOM 1805 O ALA A 118 13.727 -2.513 16.399 1.00 0.19 O ATOM 1806 CB ALA A 118 13.932 -3.825 13.124 1.00 0.51 C ATOM 0 H ALA A 118 14.217 -4.818 15.964 1.00 0.35 H new ATOM 0 HA ALA A 118 15.632 -2.986 14.141 1.00 0.38 H new ATOM 0 HB1 ALA A 118 13.761 -2.936 12.517 1.00 0.51 H new ATOM 0 HB2 ALA A 118 14.530 -4.540 12.559 1.00 0.51 H new ATOM 0 HB3 ALA A 118 12.974 -4.277 13.382 1.00 0.51 H new ATOM 1812 N CYS A 119 13.245 -1.482 14.524 1.00 0.27 N ATOM 1813 CA CYS A 119 12.418 -0.475 15.243 1.00 0.21 C ATOM 1814 C CYS A 119 11.813 0.500 14.224 1.00 0.28 C ATOM 1815 O CYS A 119 12.338 0.678 13.143 1.00 0.41 O ATOM 1816 CB CYS A 119 13.301 0.286 16.242 1.00 0.27 C ATOM 1817 SG CYS A 119 12.734 2.001 16.367 1.00 0.74 S ATOM 0 H CYS A 119 13.298 -1.360 13.513 1.00 0.27 H new ATOM 0 HA CYS A 119 11.613 -0.971 15.785 1.00 0.21 H new ATOM 0 HB2 CYS A 119 13.259 -0.194 17.220 1.00 0.27 H new ATOM 0 HB3 CYS A 119 14.341 0.259 15.918 1.00 0.27 H new ATOM 1822 N ALA A 120 10.709 1.125 14.549 1.00 0.22 N ATOM 1823 CA ALA A 120 10.077 2.073 13.588 1.00 0.27 C ATOM 1824 C ALA A 120 9.291 3.145 14.352 1.00 0.23 C ATOM 1825 O ALA A 120 8.680 2.872 15.363 1.00 0.19 O ATOM 1826 CB ALA A 120 9.116 1.312 12.676 1.00 0.31 C ATOM 0 H ALA A 120 10.220 1.018 15.438 1.00 0.22 H new ATOM 0 HA ALA A 120 10.858 2.546 12.993 1.00 0.27 H new ATOM 0 HB1 ALA A 120 8.654 2.006 11.974 1.00 0.31 H new ATOM 0 HB2 ALA A 120 9.665 0.549 12.124 1.00 0.31 H new ATOM 0 HB3 ALA A 120 8.342 0.837 13.279 1.00 0.31 H new ATOM 1832 N ILE A 121 9.286 4.356 13.868 1.00 0.27 N ATOM 1833 CA ILE A 121 8.522 5.432 14.553 1.00 0.25 C ATOM 1834 C ILE A 121 7.712 6.196 13.500 1.00 0.22 C ATOM 1835 O ILE A 121 8.261 6.797 12.601 1.00 0.27 O ATOM 1836 CB ILE A 121 9.493 6.386 15.251 1.00 0.32 C ATOM 1837 CG1 ILE A 121 10.218 5.643 16.375 1.00 0.10 C ATOM 1838 CG2 ILE A 121 8.713 7.560 15.838 1.00 0.56 C ATOM 1839 CD1 ILE A 121 11.575 6.304 16.636 1.00 0.18 C ATOM 0 H ILE A 121 9.780 4.646 13.024 1.00 0.27 H new ATOM 0 HA ILE A 121 7.853 5.002 15.299 1.00 0.25 H new ATOM 0 HB ILE A 121 10.223 6.756 14.531 1.00 0.32 H new ATOM 0 HG12 ILE A 121 9.615 5.657 17.283 1.00 0.10 H new ATOM 0 HG13 ILE A 121 10.358 4.597 16.102 1.00 0.10 H new ATOM 0 HG21 ILE A 121 9.402 8.242 16.336 1.00 0.56 H new ATOM 0 HG22 ILE A 121 8.194 8.089 15.038 1.00 0.56 H new ATOM 0 HG23 ILE A 121 7.985 7.189 16.559 1.00 0.56 H new ATOM 0 HD11 ILE A 121 12.090 5.774 17.437 1.00 0.18 H new ATOM 0 HD12 ILE A 121 12.178 6.266 15.729 1.00 0.18 H new ATOM 0 HD13 ILE A 121 11.423 7.343 16.928 1.00 0.18 H new ATOM 1851 N ALA A 122 6.411 6.165 13.591 1.00 0.14 N ATOM 1852 CA ALA A 122 5.577 6.873 12.575 1.00 0.12 C ATOM 1853 C ALA A 122 5.324 8.320 13.003 1.00 0.19 C ATOM 1854 O ALA A 122 5.200 8.626 14.172 1.00 0.25 O ATOM 1855 CB ALA A 122 4.238 6.153 12.424 1.00 0.12 C ATOM 0 H ALA A 122 5.889 5.682 14.322 1.00 0.14 H new ATOM 0 HA ALA A 122 6.110 6.873 11.624 1.00 0.12 H new ATOM 0 HB1 ALA A 122 3.629 6.670 11.682 1.00 0.12 H new ATOM 0 HB2 ALA A 122 4.411 5.127 12.100 1.00 0.12 H new ATOM 0 HB3 ALA A 122 3.717 6.148 13.382 1.00 0.12 H new ATOM 1861 N THR A 123 5.238 9.208 12.050 1.00 0.25 N ATOM 1862 CA THR A 123 4.983 10.638 12.375 1.00 0.37 C ATOM 1863 C THR A 123 3.639 11.058 11.773 1.00 0.75 C ATOM 1864 O THR A 123 3.109 10.403 10.899 1.00 2.57 O ATOM 1865 CB THR A 123 6.098 11.501 11.777 1.00 0.10 C ATOM 1866 OG1 THR A 123 7.351 11.089 12.307 1.00 1.96 O ATOM 1867 CG2 THR A 123 5.853 12.970 12.122 1.00 1.87 C ATOM 0 H THR A 123 5.334 9.002 11.056 1.00 0.25 H new ATOM 0 HA THR A 123 4.960 10.771 13.457 1.00 0.37 H new ATOM 0 HB THR A 123 6.105 11.383 10.693 1.00 0.10 H new ATOM 0 HG1 THR A 123 8.065 11.640 11.924 1.00 1.96 H new ATOM 0 HG21 THR A 123 6.648 13.581 11.695 1.00 1.87 H new ATOM 0 HG22 THR A 123 4.893 13.285 11.712 1.00 1.87 H new ATOM 0 HG23 THR A 123 5.843 13.093 13.205 1.00 1.87 H new ATOM 1875 N HIS A 124 3.086 12.146 12.232 1.00 1.18 N ATOM 1876 CA HIS A 124 1.780 12.613 11.684 1.00 1.01 C ATOM 1877 C HIS A 124 0.745 11.489 11.773 1.00 0.88 C ATOM 1878 O HIS A 124 0.396 10.871 10.786 1.00 1.46 O ATOM 1879 CB HIS A 124 1.951 13.031 10.223 1.00 1.20 C ATOM 1880 CG HIS A 124 0.956 14.111 9.897 1.00 1.05 C ATOM 1881 ND1 HIS A 124 0.803 14.615 8.616 1.00 1.49 N ATOM 1882 CD2 HIS A 124 0.059 14.796 10.680 1.00 1.23 C ATOM 1883 CE1 HIS A 124 -0.153 15.561 8.664 1.00 2.12 C ATOM 1884 NE2 HIS A 124 -0.641 15.711 9.898 1.00 2.00 N ATOM 0 H HIS A 124 3.483 12.734 12.965 1.00 1.18 H new ATOM 0 HA HIS A 124 1.437 13.467 12.268 1.00 1.01 H new ATOM 0 HB2 HIS A 124 2.965 13.391 10.052 1.00 1.20 H new ATOM 0 HB3 HIS A 124 1.802 12.173 9.567 1.00 1.20 H new ATOM 0 HD2 HIS A 124 -0.082 14.647 11.740 1.00 1.23 H new ATOM 0 HE1 HIS A 124 -0.485 16.130 7.808 1.00 2.12 H new ATOM 0 HE2 HIS A 124 -1.370 16.357 10.202 1.00 2.00 H new ATOM 1892 N GLY A 125 0.247 11.228 12.948 1.00 0.48 N ATOM 1893 CA GLY A 125 -0.774 10.157 13.110 1.00 0.27 C ATOM 1894 C GLY A 125 -1.936 10.708 13.936 1.00 0.18 C ATOM 1895 O GLY A 125 -1.803 11.707 14.603 1.00 0.20 O ATOM 0 H GLY A 125 0.504 11.713 13.808 1.00 0.48 H new ATOM 0 HA2 GLY A 125 -1.129 9.823 12.135 1.00 0.27 H new ATOM 0 HA3 GLY A 125 -0.337 9.290 13.605 1.00 0.27 H new ATOM 1899 N LYS A 126 -3.076 10.074 13.887 1.00 0.13 N ATOM 1900 CA LYS A 126 -4.245 10.567 14.677 1.00 0.10 C ATOM 1901 C LYS A 126 -5.170 9.386 15.003 1.00 0.03 C ATOM 1902 O LYS A 126 -5.407 8.536 14.169 1.00 0.07 O ATOM 1903 CB LYS A 126 -5.017 11.602 13.855 1.00 0.20 C ATOM 1904 CG LYS A 126 -4.117 12.806 13.566 1.00 0.18 C ATOM 1905 CD LYS A 126 -4.977 14.057 13.370 1.00 0.15 C ATOM 1906 CE LYS A 126 -4.118 15.179 12.785 1.00 1.14 C ATOM 1907 NZ LYS A 126 -4.750 16.497 13.078 1.00 1.70 N ATOM 0 H LYS A 126 -3.250 9.235 13.334 1.00 0.13 H new ATOM 0 HA LYS A 126 -3.893 11.025 15.601 1.00 0.10 H new ATOM 0 HB2 LYS A 126 -5.358 11.157 12.920 1.00 0.20 H new ATOM 0 HB3 LYS A 126 -5.906 11.922 14.398 1.00 0.20 H new ATOM 0 HG2 LYS A 126 -3.420 12.957 14.390 1.00 0.18 H new ATOM 0 HG3 LYS A 126 -3.520 12.620 12.673 1.00 0.18 H new ATOM 0 HD2 LYS A 126 -5.811 13.837 12.703 1.00 0.15 H new ATOM 0 HD3 LYS A 126 -5.404 14.370 14.322 1.00 0.15 H new ATOM 0 HE2 LYS A 126 -3.115 15.143 13.211 1.00 1.14 H new ATOM 0 HE3 LYS A 126 -4.012 15.046 11.708 1.00 1.14 H new ATOM 0 HZ1 LYS A 126 -4.165 17.259 12.680 1.00 1.70 H new ATOM 0 HZ2 LYS A 126 -5.698 16.530 12.652 1.00 1.70 H new ATOM 0 HZ3 LYS A 126 -4.829 16.623 14.107 1.00 1.70 H new ATOM 1921 N ILE A 127 -5.713 9.322 16.195 1.00 0.11 N ATOM 1922 CA ILE A 127 -6.630 8.188 16.523 1.00 0.17 C ATOM 1923 C ILE A 127 -8.072 8.688 16.563 1.00 0.21 C ATOM 1924 O ILE A 127 -8.360 9.753 17.070 1.00 0.21 O ATOM 1925 CB ILE A 127 -6.282 7.591 17.884 1.00 0.24 C ATOM 1926 CG1 ILE A 127 -4.976 6.810 17.773 1.00 0.26 C ATOM 1927 CG2 ILE A 127 -7.404 6.637 18.315 1.00 0.30 C ATOM 1928 CD1 ILE A 127 -4.537 6.344 19.163 1.00 0.32 C ATOM 0 H ILE A 127 -5.563 9.997 16.945 1.00 0.11 H new ATOM 0 HA ILE A 127 -6.517 7.423 15.755 1.00 0.17 H new ATOM 0 HB ILE A 127 -6.171 8.389 18.618 1.00 0.24 H new ATOM 0 HG12 ILE A 127 -5.109 5.951 17.116 1.00 0.26 H new ATOM 0 HG13 ILE A 127 -4.203 7.436 17.327 1.00 0.26 H new ATOM 0 HG21 ILE A 127 -7.162 6.207 19.287 1.00 0.30 H new ATOM 0 HG22 ILE A 127 -8.342 7.187 18.385 1.00 0.30 H new ATOM 0 HG23 ILE A 127 -7.505 5.839 17.580 1.00 0.30 H new ATOM 0 HD11 ILE A 127 -3.604 5.786 19.082 1.00 0.32 H new ATOM 0 HD12 ILE A 127 -4.387 7.211 19.807 1.00 0.32 H new ATOM 0 HD13 ILE A 127 -5.307 5.703 19.592 1.00 0.32 H new ATOM 1940 N ARG A 128 -8.984 7.913 16.048 1.00 0.27 N ATOM 1941 CA ARG A 128 -10.415 8.330 16.070 1.00 0.30 C ATOM 1942 C ARG A 128 -11.274 7.163 16.556 1.00 0.47 C ATOM 1943 O ARG A 128 -10.780 6.088 16.831 1.00 0.53 O ATOM 1944 CB ARG A 128 -10.874 8.737 14.673 1.00 0.26 C ATOM 1945 CG ARG A 128 -10.299 10.112 14.323 1.00 0.28 C ATOM 1946 CD ARG A 128 -11.243 10.827 13.353 1.00 0.45 C ATOM 1947 NE ARG A 128 -10.882 12.271 13.284 1.00 0.75 N ATOM 1948 CZ ARG A 128 -11.811 13.180 13.384 1.00 1.51 C ATOM 1949 NH1 ARG A 128 -12.609 13.186 14.416 1.00 3.62 N ATOM 1950 NH2 ARG A 128 -11.942 14.085 12.451 1.00 0.36 N ATOM 0 H ARG A 128 -8.802 7.009 15.613 1.00 0.27 H new ATOM 0 HA ARG A 128 -10.522 9.182 16.742 1.00 0.30 H new ATOM 0 HB2 ARG A 128 -10.546 7.998 13.942 1.00 0.26 H new ATOM 0 HB3 ARG A 128 -11.963 8.766 14.631 1.00 0.26 H new ATOM 0 HG2 ARG A 128 -10.172 10.706 15.228 1.00 0.28 H new ATOM 0 HG3 ARG A 128 -9.313 10.002 13.873 1.00 0.28 H new ATOM 0 HD2 ARG A 128 -11.175 10.376 12.363 1.00 0.45 H new ATOM 0 HD3 ARG A 128 -12.275 10.714 13.684 1.00 0.45 H new ATOM 0 HE ARG A 128 -9.908 12.548 13.159 1.00 0.75 H new ATOM 0 HH11 ARG A 128 -12.506 12.480 15.144 1.00 3.62 H new ATOM 0 HH12 ARG A 128 -13.336 13.897 14.494 1.00 3.62 H new ATOM 0 HH21 ARG A 128 -11.317 14.080 11.645 1.00 0.36 H new ATOM 0 HH22 ARG A 128 -12.669 14.796 12.529 1.00 0.36 H new ATOM 1964 N ASP A 129 -12.559 7.364 16.665 1.00 0.54 N ATOM 1965 CA ASP A 129 -13.445 6.263 17.133 1.00 0.71 C ATOM 1966 C ASP A 129 -13.349 5.084 16.162 1.00 1.15 C ATOM 1967 O ASP A 129 -13.278 5.329 14.969 1.00 1.30 O ATOM 1968 CB ASP A 129 -14.892 6.758 17.190 1.00 1.76 C ATOM 1969 CG ASP A 129 -15.842 5.572 17.026 1.00 2.36 C ATOM 1970 OD1 ASP A 129 -15.635 4.575 17.699 1.00 2.78 O ATOM 1971 OD2 ASP A 129 -16.760 5.679 16.231 1.00 2.43 O ATOM 1972 OXT ASP A 129 -13.347 3.956 16.628 1.00 1.71 O ATOM 0 H ASP A 129 -13.032 8.242 16.450 1.00 0.54 H new ATOM 0 HA ASP A 129 -13.131 5.944 18.127 1.00 0.71 H new ATOM 0 HB2 ASP A 129 -15.079 7.259 18.140 1.00 1.76 H new ATOM 0 HB3 ASP A 129 -15.068 7.491 16.403 1.00 1.76 H new