USER MOD reduce.3.24.130724 H: found=0, std=0, add=1138, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1136 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 68 ASN : amide:sc= -9.3! C(o=-13!,f=-15!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -107:sc= 0.5 (180deg=-1.68!) USER MOD Set 1.3: A 81 ASN : amide:sc= -4.37! C(o=-13!,f=-30!) USER MOD Set 1.4: A 84 THR OG1 : rot 83:sc= 0 USER MOD Set 2.1: A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 12 LYS NZ :NH3+ 141:sc= -0.901 (180deg=-2.68!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -50:sc= 0.365 USER MOD Single : A 3 SER OG : rot 30:sc= 0.701 USER MOD Single : A 5 SER OG : rot -51:sc= 0.541 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.0661 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.354 F(o=-1.4,f=-0.35) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot 88:sc= -3.78! USER MOD Single : A 22 LYS NZ :NH3+ 153:sc= 0.363 (180deg=0.137) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.27) USER MOD Single : A 28 HIS : no HD1:sc= -12.6! C(o=-13!,f=-14!) USER MOD Single : A 31 THR OG1 : rot -71:sc= 0.0598 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 42 GLN :FLIP amide:sc= -6.55! C(o=-8.7!,f=-6.6!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 102:sc= -1.92! USER MOD Single : A 52 GLN : amide:sc= -0.466 K(o=-0.47,f=-5.9!) USER MOD Single : A 55 ASN : amide:sc= -3.31! C(o=-3.3!,f=-18!) USER MOD Single : A 56 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.068) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 96:sc= 0.154 USER MOD Single : A 63 ASN : amide:sc= 0.046 K(o=0.046,f=-5.4!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 73 MET CE :methyl -120:sc= -2.76 (180deg=-4.53!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 CYS SG : rot 130:sc= -1.26 USER MOD Single : A 87 THR OG1 : rot 66:sc= 0.608 USER MOD Single : A 89 CYS SG : rot 130:sc= 0.305 USER MOD Single : A 90 CYS SG : rot -27:sc= 0.0788 USER MOD Single : A 92 THR OG1 : rot 80:sc= -0.0618 USER MOD Single : A 95 MET CE :methyl 179:sc= -4.51! (180deg=-4.59!) USER MOD Single : A 97 LYS NZ :NH3+ -156:sc= -0.0539 (180deg=-0.365) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -50:sc= -0.0125 USER MOD Single : A 120 SER OG : rot -38:sc= 0.531 USER MOD Single : A 123 SER OG : rot -87:sc= 0.905 USER MOD Single : A 125 THR OG1 : rot -78:sc= 1.24 USER MOD Single : A 131 THR OG1 : rot -68:sc= 0.615 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.947 -3.189 24.773 1.00 0.00 N ATOM 2 CA GLY A 1 9.916 -3.255 23.694 1.00 0.00 C ATOM 3 C GLY A 1 9.970 -1.974 22.885 1.00 0.00 C ATOM 4 O GLY A 1 10.407 -0.936 23.381 1.00 0.00 O ATOM 0 H1 GLY A 1 8.948 -4.088 25.296 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.198 -2.413 25.418 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.000 -3.019 24.379 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.903 -3.462 24.108 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.666 -4.087 23.035 1.00 0.00 H new ATOM 8 N SER A 2 9.525 -2.047 21.634 1.00 0.00 N ATOM 9 CA SER A 2 9.530 -0.886 20.752 1.00 0.00 C ATOM 10 C SER A 2 10.953 -0.391 20.513 1.00 0.00 C ATOM 11 O SER A 2 11.181 0.800 20.303 1.00 0.00 O ATOM 12 CB SER A 2 8.681 0.238 21.350 1.00 0.00 C ATOM 13 OG SER A 2 8.433 1.254 20.393 1.00 0.00 O ATOM 0 H SER A 2 9.157 -2.898 21.209 1.00 0.00 H new ATOM 0 HA SER A 2 9.103 -1.186 19.795 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.735 -0.168 21.708 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.192 0.664 22.213 1.00 0.00 H new ATOM 0 HG SER A 2 9.277 1.517 19.969 1.00 0.00 H new ATOM 19 N SER A 3 11.908 -1.315 20.547 1.00 0.00 N ATOM 20 CA SER A 3 13.310 -0.974 20.338 1.00 0.00 C ATOM 21 C SER A 3 13.818 -1.550 19.019 1.00 0.00 C ATOM 22 O SER A 3 13.901 -2.765 18.850 1.00 0.00 O ATOM 23 CB SER A 3 14.162 -1.495 21.496 1.00 0.00 C ATOM 24 OG SER A 3 14.119 -2.910 21.565 1.00 0.00 O ATOM 0 H SER A 3 11.736 -2.306 20.717 1.00 0.00 H new ATOM 0 HA SER A 3 13.392 0.112 20.296 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.193 -1.165 21.370 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.804 -1.071 22.434 1.00 0.00 H new ATOM 0 HG SER A 3 13.982 -3.277 20.667 1.00 0.00 H new ATOM 30 N GLY A 4 14.157 -0.665 18.086 1.00 0.00 N ATOM 31 CA GLY A 4 14.653 -1.103 16.794 1.00 0.00 C ATOM 32 C GLY A 4 14.891 0.053 15.843 1.00 0.00 C ATOM 33 O GLY A 4 15.803 0.855 16.045 1.00 0.00 O ATOM 0 H GLY A 4 14.097 0.347 18.202 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.584 -1.653 16.933 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.938 -1.794 16.349 1.00 0.00 H new ATOM 37 N SER A 5 14.070 0.138 14.801 1.00 0.00 N ATOM 38 CA SER A 5 14.200 1.202 13.811 1.00 0.00 C ATOM 39 C SER A 5 15.663 1.421 13.438 1.00 0.00 C ATOM 40 O SER A 5 16.127 2.558 13.343 1.00 0.00 O ATOM 41 CB SER A 5 13.597 2.502 14.347 1.00 0.00 C ATOM 42 OG SER A 5 13.594 3.511 13.351 1.00 0.00 O ATOM 0 H SER A 5 13.309 -0.516 14.620 1.00 0.00 H new ATOM 0 HA SER A 5 13.657 0.901 12.915 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.578 2.320 14.688 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.167 2.842 15.212 1.00 0.00 H new ATOM 0 HG SER A 5 14.490 3.590 12.963 1.00 0.00 H new ATOM 48 N SER A 6 16.384 0.325 13.227 1.00 0.00 N ATOM 49 CA SER A 6 17.795 0.396 12.867 1.00 0.00 C ATOM 50 C SER A 6 17.965 0.535 11.358 1.00 0.00 C ATOM 51 O SER A 6 17.004 0.414 10.600 1.00 0.00 O ATOM 52 CB SER A 6 18.533 -0.849 13.363 1.00 0.00 C ATOM 53 OG SER A 6 18.240 -1.972 12.550 1.00 0.00 O ATOM 0 H SER A 6 16.014 -0.623 13.299 1.00 0.00 H new ATOM 0 HA SER A 6 18.222 1.277 13.345 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.607 -0.664 13.360 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.248 -1.058 14.394 1.00 0.00 H new ATOM 0 HG SER A 6 18.725 -2.755 12.886 1.00 0.00 H new ATOM 59 N GLY A 7 19.198 0.790 10.928 1.00 0.00 N ATOM 60 CA GLY A 7 19.473 0.941 9.511 1.00 0.00 C ATOM 61 C GLY A 7 18.565 1.958 8.849 1.00 0.00 C ATOM 62 O GLY A 7 18.486 3.106 9.286 1.00 0.00 O ATOM 0 H GLY A 7 20.010 0.895 11.536 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.511 1.243 9.376 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.355 -0.023 9.016 1.00 0.00 H new ATOM 66 N MET A 8 17.879 1.538 7.792 1.00 0.00 N ATOM 67 CA MET A 8 16.972 2.422 7.068 1.00 0.00 C ATOM 68 C MET A 8 15.518 2.048 7.339 1.00 0.00 C ATOM 69 O MET A 8 15.171 0.869 7.389 1.00 0.00 O ATOM 70 CB MET A 8 17.256 2.360 5.566 1.00 0.00 C ATOM 71 CG MET A 8 16.586 3.472 4.775 1.00 0.00 C ATOM 72 SD MET A 8 17.473 5.038 4.891 1.00 0.00 S ATOM 73 CE MET A 8 17.965 5.275 3.185 1.00 0.00 C ATOM 0 H MET A 8 17.933 0.591 7.417 1.00 0.00 H new ATOM 0 HA MET A 8 17.138 3.440 7.420 1.00 0.00 H new ATOM 0 HB2 MET A 8 18.333 2.409 5.406 1.00 0.00 H new ATOM 0 HB3 MET A 8 16.920 1.397 5.180 1.00 0.00 H new ATOM 0 HG2 MET A 8 16.515 3.176 3.728 1.00 0.00 H new ATOM 0 HG3 MET A 8 15.567 3.608 5.138 1.00 0.00 H new ATOM 0 HE1 MET A 8 18.525 6.206 3.094 1.00 0.00 H new ATOM 0 HE2 MET A 8 18.592 4.441 2.868 1.00 0.00 H new ATOM 0 HE3 MET A 8 17.078 5.322 2.554 1.00 0.00 H new ATOM 83 N GLU A 9 14.674 3.060 7.511 1.00 0.00 N ATOM 84 CA GLU A 9 13.258 2.836 7.777 1.00 0.00 C ATOM 85 C GLU A 9 12.639 1.937 6.710 1.00 0.00 C ATOM 86 O GLU A 9 13.029 1.958 5.543 1.00 0.00 O ATOM 87 CB GLU A 9 12.509 4.169 7.833 1.00 0.00 C ATOM 88 CG GLU A 9 13.065 5.137 8.865 1.00 0.00 C ATOM 89 CD GLU A 9 12.413 6.504 8.794 1.00 0.00 C ATOM 90 OE1 GLU A 9 11.196 6.594 9.061 1.00 0.00 O ATOM 91 OE2 GLU A 9 13.118 7.482 8.471 1.00 0.00 O ATOM 0 H GLU A 9 14.946 4.042 7.471 1.00 0.00 H new ATOM 0 HA GLU A 9 13.171 2.338 8.743 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.546 4.638 6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.459 3.977 8.055 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.921 4.721 9.862 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.140 5.243 8.716 1.00 0.00 H new ATOM 98 N PRO A 10 11.651 1.128 7.120 1.00 0.00 N ATOM 99 CA PRO A 10 10.957 0.206 6.215 1.00 0.00 C ATOM 100 C PRO A 10 10.075 0.937 5.208 1.00 0.00 C ATOM 101 O PRO A 10 9.647 0.358 4.209 1.00 0.00 O ATOM 102 CB PRO A 10 10.102 -0.641 7.160 1.00 0.00 C ATOM 103 CG PRO A 10 9.887 0.223 8.355 1.00 0.00 C ATOM 104 CD PRO A 10 11.135 1.051 8.496 1.00 0.00 C ATOM 0 HA PRO A 10 11.654 -0.376 5.612 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.155 -0.918 6.696 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.609 -1.568 7.428 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.010 0.857 8.225 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.715 -0.380 9.247 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.918 2.040 8.899 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.854 0.583 9.169 1.00 0.00 H new ATOM 112 N TRP A 11 9.807 2.209 5.478 1.00 0.00 N ATOM 113 CA TRP A 11 8.975 3.018 4.594 1.00 0.00 C ATOM 114 C TRP A 11 9.820 3.696 3.521 1.00 0.00 C ATOM 115 O TRP A 11 9.393 3.832 2.374 1.00 0.00 O ATOM 116 CB TRP A 11 8.212 4.070 5.400 1.00 0.00 C ATOM 117 CG TRP A 11 8.957 5.362 5.547 1.00 0.00 C ATOM 118 CD1 TRP A 11 9.750 5.736 6.595 1.00 0.00 C ATOM 119 CD2 TRP A 11 8.978 6.450 4.617 1.00 0.00 C ATOM 120 NE1 TRP A 11 10.262 6.992 6.372 1.00 0.00 N ATOM 121 CE2 TRP A 11 9.804 7.451 5.165 1.00 0.00 C ATOM 122 CE3 TRP A 11 8.381 6.676 3.374 1.00 0.00 C ATOM 123 CZ2 TRP A 11 10.045 8.657 4.512 1.00 0.00 C ATOM 124 CZ3 TRP A 11 8.621 7.873 2.727 1.00 0.00 C ATOM 125 CH2 TRP A 11 9.448 8.851 3.296 1.00 0.00 C ATOM 0 H TRP A 11 10.153 2.703 6.301 1.00 0.00 H new ATOM 0 HA TRP A 11 8.260 2.357 4.103 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.255 4.264 4.916 1.00 0.00 H new ATOM 0 HB3 TRP A 11 7.993 3.670 6.390 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.946 5.134 7.470 1.00 0.00 H new ATOM 0 HE1 TRP A 11 10.882 7.500 7.003 1.00 0.00 H new ATOM 0 HE3 TRP A 11 7.743 5.928 2.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 10.681 9.413 4.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.163 8.058 1.766 1.00 0.00 H new ATOM 0 HH2 TRP A 11 9.617 9.776 2.764 1.00 0.00 H new ATOM 136 N LYS A 12 11.020 4.121 3.901 1.00 0.00 N ATOM 137 CA LYS A 12 11.927 4.784 2.971 1.00 0.00 C ATOM 138 C LYS A 12 12.180 3.914 1.744 1.00 0.00 C ATOM 139 O LYS A 12 12.103 4.387 0.610 1.00 0.00 O ATOM 140 CB LYS A 12 13.253 5.107 3.662 1.00 0.00 C ATOM 141 CG LYS A 12 13.145 6.210 4.700 1.00 0.00 C ATOM 142 CD LYS A 12 12.923 7.566 4.052 1.00 0.00 C ATOM 143 CE LYS A 12 14.236 8.195 3.611 1.00 0.00 C ATOM 144 NZ LYS A 12 14.730 7.609 2.334 1.00 0.00 N ATOM 0 H LYS A 12 11.387 4.018 4.847 1.00 0.00 H new ATOM 0 HA LYS A 12 11.458 5.713 2.646 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.633 4.205 4.141 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.984 5.399 2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.322 5.992 5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.055 6.237 5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.264 7.455 3.191 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.419 8.229 4.756 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.101 9.270 3.489 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.986 8.054 4.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.141 8.360 1.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.456 6.893 2.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.938 7.164 1.827 1.00 0.00 H new ATOM 158 N GLN A 13 12.480 2.641 1.978 1.00 0.00 N ATOM 159 CA GLN A 13 12.743 1.705 0.891 1.00 0.00 C ATOM 160 C GLN A 13 11.463 1.387 0.125 1.00 0.00 C ATOM 161 O GLN A 13 11.440 1.424 -1.106 1.00 0.00 O ATOM 162 CB GLN A 13 13.359 0.416 1.437 1.00 0.00 C ATOM 163 CG GLN A 13 14.356 0.646 2.562 1.00 0.00 C ATOM 164 CD GLN A 13 15.152 -0.598 2.900 1.00 0.00 C ATOM 165 OE1 GLN A 13 15.936 -1.088 2.087 1.00 0.00 O ATOM 166 NE2 GLN A 13 14.954 -1.118 4.106 1.00 0.00 N ATOM 0 H GLN A 13 12.547 2.234 2.911 1.00 0.00 H new ATOM 0 HA GLN A 13 13.448 2.173 0.205 1.00 0.00 H new ATOM 0 HB2 GLN A 13 12.561 -0.234 1.797 1.00 0.00 H new ATOM 0 HB3 GLN A 13 13.857 -0.112 0.624 1.00 0.00 H new ATOM 0 HG2 GLN A 13 15.041 1.445 2.277 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.823 0.984 3.451 1.00 0.00 H new ATOM 0 HE21 GLN A 13 14.295 -0.679 4.749 1.00 0.00 H new ATOM 0 HE22 GLN A 13 15.461 -1.956 4.390 1.00 0.00 H new ATOM 175 N CYS A 14 10.402 1.074 0.860 1.00 0.00 N ATOM 176 CA CYS A 14 9.118 0.748 0.250 1.00 0.00 C ATOM 177 C CYS A 14 8.818 1.683 -0.917 1.00 0.00 C ATOM 178 O CYS A 14 8.337 1.250 -1.964 1.00 0.00 O ATOM 179 CB CYS A 14 8.000 0.834 1.289 1.00 0.00 C ATOM 180 SG CYS A 14 6.339 0.624 0.605 1.00 0.00 S ATOM 0 H CYS A 14 10.405 1.039 1.879 1.00 0.00 H new ATOM 0 HA CYS A 14 9.172 -0.272 -0.130 1.00 0.00 H new ATOM 0 HB2 CYS A 14 8.167 0.072 2.050 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.056 1.801 1.788 1.00 0.00 H new ATOM 0 HG CYS A 14 5.462 0.711 1.561 1.00 0.00 H new ATOM 186 N ALA A 15 9.103 2.967 -0.728 1.00 0.00 N ATOM 187 CA ALA A 15 8.864 3.963 -1.765 1.00 0.00 C ATOM 188 C ALA A 15 9.362 3.475 -3.121 1.00 0.00 C ATOM 189 O ALA A 15 8.639 3.534 -4.115 1.00 0.00 O ATOM 190 CB ALA A 15 9.534 5.279 -1.397 1.00 0.00 C ATOM 0 H ALA A 15 9.500 3.342 0.134 1.00 0.00 H new ATOM 0 HA ALA A 15 7.788 4.123 -1.839 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.347 6.014 -2.180 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.127 5.643 -0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.608 5.124 -1.293 1.00 0.00 H new ATOM 196 N GLN A 16 10.600 2.994 -3.153 1.00 0.00 N ATOM 197 CA GLN A 16 11.194 2.496 -4.389 1.00 0.00 C ATOM 198 C GLN A 16 10.282 1.473 -5.058 1.00 0.00 C ATOM 199 O GLN A 16 9.820 1.679 -6.180 1.00 0.00 O ATOM 200 CB GLN A 16 12.561 1.871 -4.107 1.00 0.00 C ATOM 201 CG GLN A 16 13.568 2.849 -3.523 1.00 0.00 C ATOM 202 CD GLN A 16 13.871 4.003 -4.458 1.00 0.00 C ATOM 203 OE1 GLN A 16 12.963 4.970 -4.518 1.00 0.00 O flip ATOM 204 NE2 GLN A 16 14.910 4.025 -5.119 1.00 0.00 N flip ATOM 0 H GLN A 16 11.211 2.938 -2.338 1.00 0.00 H new ATOM 0 HA GLN A 16 11.321 3.340 -5.067 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.435 1.037 -3.417 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.961 1.460 -5.034 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.184 3.241 -2.581 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.493 2.319 -3.294 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.580 3.260 -5.041 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.100 4.808 -5.744 1.00 0.00 H new ATOM 213 N TRP A 17 10.028 0.371 -4.362 1.00 0.00 N ATOM 214 CA TRP A 17 9.171 -0.685 -4.890 1.00 0.00 C ATOM 215 C TRP A 17 7.897 -0.103 -5.491 1.00 0.00 C ATOM 216 O TRP A 17 7.433 -0.550 -6.540 1.00 0.00 O ATOM 217 CB TRP A 17 8.819 -1.684 -3.786 1.00 0.00 C ATOM 218 CG TRP A 17 8.061 -2.877 -4.284 1.00 0.00 C ATOM 219 CD1 TRP A 17 8.523 -3.848 -5.126 1.00 0.00 C ATOM 220 CD2 TRP A 17 6.708 -3.224 -3.972 1.00 0.00 C ATOM 221 NE1 TRP A 17 7.538 -4.778 -5.357 1.00 0.00 N ATOM 222 CE2 TRP A 17 6.415 -4.418 -4.660 1.00 0.00 C ATOM 223 CE3 TRP A 17 5.715 -2.643 -3.178 1.00 0.00 C ATOM 224 CZ2 TRP A 17 5.171 -5.039 -4.576 1.00 0.00 C ATOM 225 CZ3 TRP A 17 4.481 -3.260 -3.097 1.00 0.00 C ATOM 226 CH2 TRP A 17 4.218 -4.448 -3.792 1.00 0.00 C ATOM 0 H TRP A 17 10.403 0.185 -3.432 1.00 0.00 H new ATOM 0 HA TRP A 17 9.718 -1.203 -5.678 1.00 0.00 H new ATOM 0 HB2 TRP A 17 9.737 -2.021 -3.305 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.226 -1.178 -3.024 1.00 0.00 H new ATOM 0 HD1 TRP A 17 9.517 -3.880 -5.548 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.628 -5.602 -5.951 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.909 -1.728 -2.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.966 -5.955 -5.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.706 -2.819 -2.488 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.244 -4.906 -3.707 1.00 0.00 H new ATOM 237 N LEU A 18 7.335 0.897 -4.820 1.00 0.00 N ATOM 238 CA LEU A 18 6.112 1.541 -5.289 1.00 0.00 C ATOM 239 C LEU A 18 6.337 2.219 -6.637 1.00 0.00 C ATOM 240 O LEU A 18 5.563 2.026 -7.575 1.00 0.00 O ATOM 241 CB LEU A 18 5.628 2.568 -4.263 1.00 0.00 C ATOM 242 CG LEU A 18 5.179 2.008 -2.913 1.00 0.00 C ATOM 243 CD1 LEU A 18 5.257 3.080 -1.838 1.00 0.00 C ATOM 244 CD2 LEU A 18 3.767 1.449 -3.010 1.00 0.00 C ATOM 0 H LEU A 18 7.706 1.279 -3.950 1.00 0.00 H new ATOM 0 HA LEU A 18 5.349 0.772 -5.412 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.432 3.283 -4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.797 3.123 -4.698 1.00 0.00 H new ATOM 0 HG LEU A 18 5.851 1.196 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.934 2.663 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.285 3.433 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.609 3.914 -2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.464 1.055 -2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.082 2.242 -3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.742 0.649 -3.750 1.00 0.00 H new ATOM 256 N ILE A 19 7.400 3.010 -6.725 1.00 0.00 N ATOM 257 CA ILE A 19 7.728 3.713 -7.960 1.00 0.00 C ATOM 258 C ILE A 19 7.903 2.737 -9.118 1.00 0.00 C ATOM 259 O ILE A 19 7.504 3.020 -10.248 1.00 0.00 O ATOM 260 CB ILE A 19 9.013 4.548 -7.808 1.00 0.00 C ATOM 261 CG1 ILE A 19 8.872 5.535 -6.647 1.00 0.00 C ATOM 262 CG2 ILE A 19 9.322 5.285 -9.102 1.00 0.00 C ATOM 263 CD1 ILE A 19 10.165 6.232 -6.286 1.00 0.00 C ATOM 0 H ILE A 19 8.049 3.181 -5.957 1.00 0.00 H new ATOM 0 HA ILE A 19 6.894 4.381 -8.174 1.00 0.00 H new ATOM 0 HB ILE A 19 9.842 3.875 -7.589 1.00 0.00 H new ATOM 0 HG12 ILE A 19 8.125 6.285 -6.907 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.499 5.003 -5.772 1.00 0.00 H new ATOM 0 HG21 ILE A 19 10.233 5.871 -8.979 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.461 4.564 -9.907 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.494 5.950 -9.349 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.990 6.916 -5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 19 10.909 5.491 -5.995 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.529 6.792 -7.147 1.00 0.00 H new ATOM 275 N HIS A 20 8.502 1.586 -8.830 1.00 0.00 N ATOM 276 CA HIS A 20 8.728 0.566 -9.847 1.00 0.00 C ATOM 277 C HIS A 20 7.450 -0.219 -10.123 1.00 0.00 C ATOM 278 O HIS A 20 7.238 -0.711 -11.232 1.00 0.00 O ATOM 279 CB HIS A 20 9.840 -0.386 -9.407 1.00 0.00 C ATOM 280 CG HIS A 20 11.217 0.115 -9.719 1.00 0.00 C ATOM 281 ND1 HIS A 20 11.942 -0.309 -10.812 1.00 0.00 N ATOM 282 CD2 HIS A 20 11.999 1.012 -9.074 1.00 0.00 C ATOM 283 CE1 HIS A 20 13.113 0.304 -10.825 1.00 0.00 C ATOM 284 NE2 HIS A 20 13.172 1.111 -9.781 1.00 0.00 N ATOM 0 H HIS A 20 8.840 1.337 -7.900 1.00 0.00 H new ATOM 0 HA HIS A 20 9.032 1.067 -10.766 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.759 -0.555 -8.333 1.00 0.00 H new ATOM 0 HB3 HIS A 20 9.695 -1.351 -9.893 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.747 1.550 -8.172 1.00 0.00 H new ATOM 0 HE1 HIS A 20 13.889 0.168 -11.563 1.00 0.00 H new ATOM 0 HE2 HIS A 20 13.961 1.711 -9.539 1.00 0.00 H new ATOM 293 N CYS A 21 6.601 -0.334 -9.107 1.00 0.00 N ATOM 294 CA CYS A 21 5.344 -1.062 -9.240 1.00 0.00 C ATOM 295 C CYS A 21 4.357 -0.288 -10.109 1.00 0.00 C ATOM 296 O CYS A 21 3.229 -0.729 -10.329 1.00 0.00 O ATOM 297 CB CYS A 21 4.733 -1.322 -7.862 1.00 0.00 C ATOM 298 SG CYS A 21 5.539 -2.650 -6.936 1.00 0.00 S ATOM 0 H CYS A 21 6.760 0.067 -8.183 1.00 0.00 H new ATOM 0 HA CYS A 21 5.555 -2.017 -9.722 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.781 -0.404 -7.276 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.678 -1.567 -7.985 1.00 0.00 H new ATOM 0 HG CYS A 21 6.538 -2.164 -6.261 1.00 0.00 H new ATOM 304 N LYS A 22 4.790 0.868 -10.600 1.00 0.00 N ATOM 305 CA LYS A 22 3.946 1.705 -11.445 1.00 0.00 C ATOM 306 C LYS A 22 2.777 2.277 -10.650 1.00 0.00 C ATOM 307 O LYS A 22 1.625 2.204 -11.080 1.00 0.00 O ATOM 308 CB LYS A 22 3.421 0.898 -12.635 1.00 0.00 C ATOM 309 CG LYS A 22 4.512 0.179 -13.410 1.00 0.00 C ATOM 310 CD LYS A 22 5.453 1.159 -14.088 1.00 0.00 C ATOM 311 CE LYS A 22 6.469 0.442 -14.964 1.00 0.00 C ATOM 312 NZ LYS A 22 7.692 0.066 -14.202 1.00 0.00 N ATOM 0 H LYS A 22 5.721 1.247 -10.427 1.00 0.00 H new ATOM 0 HA LYS A 22 4.551 2.533 -11.814 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.698 0.165 -12.276 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.888 1.567 -13.310 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.078 -0.462 -12.734 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.059 -0.470 -14.160 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.877 1.858 -14.695 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.974 1.747 -13.332 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.015 -0.454 -15.387 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.745 1.085 -15.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.132 -0.768 -14.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.365 0.859 -14.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.434 -0.156 -13.219 1.00 0.00 H new ATOM 326 N VAL A 23 3.079 2.847 -9.488 1.00 0.00 N ATOM 327 CA VAL A 23 2.054 3.434 -8.634 1.00 0.00 C ATOM 328 C VAL A 23 2.413 4.864 -8.247 1.00 0.00 C ATOM 329 O VAL A 23 1.534 5.700 -8.032 1.00 0.00 O ATOM 330 CB VAL A 23 1.847 2.604 -7.353 1.00 0.00 C ATOM 331 CG1 VAL A 23 1.349 1.208 -7.696 1.00 0.00 C ATOM 332 CG2 VAL A 23 3.136 2.536 -6.549 1.00 0.00 C ATOM 0 H VAL A 23 4.026 2.915 -9.116 1.00 0.00 H new ATOM 0 HA VAL A 23 1.128 3.438 -9.209 1.00 0.00 H new ATOM 0 HB VAL A 23 1.089 3.094 -6.742 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.209 0.636 -6.779 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.400 1.281 -8.227 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.081 0.706 -8.328 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.972 1.946 -5.647 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.916 2.070 -7.151 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.445 3.544 -6.272 1.00 0.00 H new ATOM 342 N LEU A 24 3.709 5.140 -8.161 1.00 0.00 N ATOM 343 CA LEU A 24 4.186 6.470 -7.800 1.00 0.00 C ATOM 344 C LEU A 24 5.236 6.960 -8.793 1.00 0.00 C ATOM 345 O LEU A 24 6.003 6.181 -9.358 1.00 0.00 O ATOM 346 CB LEU A 24 4.772 6.458 -6.387 1.00 0.00 C ATOM 347 CG LEU A 24 3.771 6.261 -5.248 1.00 0.00 C ATOM 348 CD1 LEU A 24 4.498 6.022 -3.934 1.00 0.00 C ATOM 349 CD2 LEU A 24 2.845 7.463 -5.136 1.00 0.00 C ATOM 0 H LEU A 24 4.449 4.460 -8.336 1.00 0.00 H new ATOM 0 HA LEU A 24 3.337 7.153 -7.829 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.517 5.664 -6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.296 7.400 -6.225 1.00 0.00 H new ATOM 0 HG LEU A 24 3.166 5.382 -5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.770 5.884 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.118 5.129 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.129 6.881 -3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.140 7.304 -4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.434 8.359 -4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.297 7.588 -6.070 1.00 0.00 H new ATOM 361 N PRO A 25 5.273 8.283 -9.010 1.00 0.00 N ATOM 362 CA PRO A 25 6.226 8.908 -9.933 1.00 0.00 C ATOM 363 C PRO A 25 7.658 8.854 -9.412 1.00 0.00 C ATOM 364 O PRO A 25 7.888 8.708 -8.211 1.00 0.00 O ATOM 365 CB PRO A 25 5.741 10.357 -10.016 1.00 0.00 C ATOM 366 CG PRO A 25 5.017 10.589 -8.735 1.00 0.00 C ATOM 367 CD PRO A 25 4.388 9.272 -8.371 1.00 0.00 C ATOM 0 HA PRO A 25 6.255 8.398 -10.896 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.576 11.048 -10.129 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.085 10.506 -10.874 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.701 10.924 -7.955 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.260 11.365 -8.849 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.344 9.133 -7.291 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.367 9.198 -8.744 1.00 0.00 H new ATOM 375 N THR A 26 8.619 8.972 -10.322 1.00 0.00 N ATOM 376 CA THR A 26 10.029 8.937 -9.955 1.00 0.00 C ATOM 377 C THR A 26 10.425 10.184 -9.173 1.00 0.00 C ATOM 378 O THR A 26 11.397 10.173 -8.420 1.00 0.00 O ATOM 379 CB THR A 26 10.931 8.816 -11.198 1.00 0.00 C ATOM 380 OG1 THR A 26 10.770 9.967 -12.034 1.00 0.00 O ATOM 381 CG2 THR A 26 10.598 7.559 -11.988 1.00 0.00 C ATOM 0 H THR A 26 8.446 9.093 -11.320 1.00 0.00 H new ATOM 0 HA THR A 26 10.170 8.058 -9.327 1.00 0.00 H new ATOM 0 HB THR A 26 11.966 8.752 -10.863 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.348 9.883 -12.821 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.248 7.495 -12.861 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.750 6.683 -11.358 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.558 7.598 -12.312 1.00 0.00 H new ATOM 389 N ASN A 27 9.664 11.258 -9.357 1.00 0.00 N ATOM 390 CA ASN A 27 9.937 12.514 -8.668 1.00 0.00 C ATOM 391 C ASN A 27 8.852 12.816 -7.638 1.00 0.00 C ATOM 392 O ASN A 27 8.658 13.967 -7.243 1.00 0.00 O ATOM 393 CB ASN A 27 10.033 13.662 -9.675 1.00 0.00 C ATOM 394 CG ASN A 27 10.846 14.829 -9.146 1.00 0.00 C ATOM 395 OD1 ASN A 27 10.307 15.740 -8.517 1.00 0.00 O ATOM 396 ND2 ASN A 27 12.149 14.805 -9.400 1.00 0.00 N ATOM 0 H ASN A 27 8.854 11.284 -9.977 1.00 0.00 H new ATOM 0 HA ASN A 27 10.890 12.415 -8.148 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.485 13.296 -10.597 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.030 14.006 -9.926 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.747 15.562 -9.070 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.552 14.029 -9.925 1.00 0.00 H new ATOM 403 N HIS A 28 8.148 11.775 -7.206 1.00 0.00 N ATOM 404 CA HIS A 28 7.083 11.928 -6.221 1.00 0.00 C ATOM 405 C HIS A 28 7.559 12.755 -5.030 1.00 0.00 C ATOM 406 O HIS A 28 8.714 13.179 -4.979 1.00 0.00 O ATOM 407 CB HIS A 28 6.599 10.558 -5.744 1.00 0.00 C ATOM 408 CG HIS A 28 5.180 10.557 -5.265 1.00 0.00 C ATOM 409 ND1 HIS A 28 4.784 9.958 -4.088 1.00 0.00 N ATOM 410 CD2 HIS A 28 4.061 11.090 -5.810 1.00 0.00 C ATOM 411 CE1 HIS A 28 3.482 10.119 -3.931 1.00 0.00 C ATOM 412 NE2 HIS A 28 3.020 10.803 -4.962 1.00 0.00 N ATOM 0 H HIS A 28 8.296 10.817 -7.522 1.00 0.00 H new ATOM 0 HA HIS A 28 6.254 12.452 -6.697 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.699 9.842 -6.560 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.246 10.214 -4.937 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.999 11.638 -6.738 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.896 9.754 -3.101 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.047 11.074 -5.105 1.00 0.00 H new ATOM 421 N ARG A 29 6.662 12.981 -4.076 1.00 0.00 N ATOM 422 CA ARG A 29 6.990 13.758 -2.887 1.00 0.00 C ATOM 423 C ARG A 29 7.421 12.846 -1.742 1.00 0.00 C ATOM 424 O ARG A 29 7.858 13.315 -0.692 1.00 0.00 O ATOM 425 CB ARG A 29 5.790 14.603 -2.457 1.00 0.00 C ATOM 426 CG ARG A 29 4.578 13.778 -2.053 1.00 0.00 C ATOM 427 CD ARG A 29 3.595 13.631 -3.204 1.00 0.00 C ATOM 428 NE ARG A 29 2.675 14.762 -3.285 1.00 0.00 N ATOM 429 CZ ARG A 29 2.852 15.796 -4.100 1.00 0.00 C ATOM 430 NH1 ARG A 29 3.909 15.842 -4.898 1.00 0.00 N ATOM 431 NH2 ARG A 29 1.969 16.787 -4.116 1.00 0.00 N ATOM 0 H ARG A 29 5.702 12.637 -4.103 1.00 0.00 H new ATOM 0 HA ARG A 29 7.821 14.419 -3.134 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.083 15.236 -1.620 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.511 15.266 -3.276 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.902 12.791 -1.722 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.080 14.251 -1.206 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.145 13.543 -4.141 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.027 12.709 -3.080 1.00 0.00 H new ATOM 0 HE ARG A 29 1.852 14.758 -2.683 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.589 15.082 -4.888 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.042 16.637 -5.523 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.155 16.754 -3.503 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.105 17.581 -4.742 1.00 0.00 H new ATOM 445 N VAL A 30 7.293 11.540 -1.953 1.00 0.00 N ATOM 446 CA VAL A 30 7.669 10.561 -0.940 1.00 0.00 C ATOM 447 C VAL A 30 9.146 10.201 -1.045 1.00 0.00 C ATOM 448 O VAL A 30 9.711 9.578 -0.145 1.00 0.00 O ATOM 449 CB VAL A 30 6.828 9.276 -1.061 1.00 0.00 C ATOM 450 CG1 VAL A 30 5.344 9.607 -1.064 1.00 0.00 C ATOM 451 CG2 VAL A 30 7.213 8.505 -2.315 1.00 0.00 C ATOM 0 H VAL A 30 6.932 11.135 -2.817 1.00 0.00 H new ATOM 0 HA VAL A 30 7.478 11.020 0.030 1.00 0.00 H new ATOM 0 HB VAL A 30 7.033 8.645 -0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.766 8.687 -1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.082 10.114 -0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.118 10.258 -1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.610 7.600 -2.385 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.038 9.127 -3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.268 8.235 -2.266 1.00 0.00 H new ATOM 461 N THR A 31 9.769 10.598 -2.151 1.00 0.00 N ATOM 462 CA THR A 31 11.182 10.317 -2.375 1.00 0.00 C ATOM 463 C THR A 31 12.064 11.368 -1.710 1.00 0.00 C ATOM 464 O THR A 31 13.239 11.123 -1.438 1.00 0.00 O ATOM 465 CB THR A 31 11.512 10.262 -3.878 1.00 0.00 C ATOM 466 OG1 THR A 31 11.426 11.573 -4.447 1.00 0.00 O ATOM 467 CG2 THR A 31 10.561 9.324 -4.607 1.00 0.00 C ATOM 0 H THR A 31 9.317 11.115 -2.905 1.00 0.00 H new ATOM 0 HA THR A 31 11.385 9.343 -1.930 1.00 0.00 H new ATOM 0 HB THR A 31 12.528 9.884 -3.991 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.487 11.849 -4.492 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.814 9.302 -5.667 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.650 8.320 -4.191 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.537 9.677 -4.485 1.00 0.00 H new ATOM 475 N TRP A 32 11.489 12.537 -1.452 1.00 0.00 N ATOM 476 CA TRP A 32 12.224 13.626 -0.818 1.00 0.00 C ATOM 477 C TRP A 32 12.595 13.269 0.617 1.00 0.00 C ATOM 478 O TRP A 32 11.747 12.837 1.398 1.00 0.00 O ATOM 479 CB TRP A 32 11.393 14.910 -0.839 1.00 0.00 C ATOM 480 CG TRP A 32 11.231 15.490 -2.212 1.00 0.00 C ATOM 481 CD1 TRP A 32 10.763 14.848 -3.323 1.00 0.00 C ATOM 482 CD2 TRP A 32 11.539 16.828 -2.619 1.00 0.00 C ATOM 483 NE1 TRP A 32 10.762 15.706 -4.396 1.00 0.00 N ATOM 484 CE2 TRP A 32 11.232 16.927 -3.990 1.00 0.00 C ATOM 485 CE3 TRP A 32 12.041 17.952 -1.958 1.00 0.00 C ATOM 486 CZ2 TRP A 32 11.413 18.105 -4.709 1.00 0.00 C ATOM 487 CZ3 TRP A 32 12.221 19.120 -2.673 1.00 0.00 C ATOM 488 CH2 TRP A 32 11.906 19.190 -4.037 1.00 0.00 C ATOM 0 H TRP A 32 10.517 12.755 -1.672 1.00 0.00 H new ATOM 0 HA TRP A 32 13.143 13.787 -1.382 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.408 14.704 -0.421 1.00 0.00 H new ATOM 0 HB3 TRP A 32 11.865 15.650 -0.193 1.00 0.00 H new ATOM 0 HD1 TRP A 32 10.441 13.818 -3.354 1.00 0.00 H new ATOM 0 HE1 TRP A 32 10.460 15.472 -5.342 1.00 0.00 H new ATOM 0 HE3 TRP A 32 12.284 17.908 -0.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 11.173 18.161 -5.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 12.611 19.994 -2.173 1.00 0.00 H new ATOM 0 HH2 TRP A 32 12.055 20.119 -4.568 1.00 0.00 H new ATOM 499 N ASP A 33 13.866 13.454 0.958 1.00 0.00 N ATOM 500 CA ASP A 33 14.348 13.152 2.301 1.00 0.00 C ATOM 501 C ASP A 33 13.387 13.689 3.357 1.00 0.00 C ATOM 502 O ASP A 33 12.956 12.956 4.248 1.00 0.00 O ATOM 503 CB ASP A 33 15.741 13.749 2.512 1.00 0.00 C ATOM 504 CG ASP A 33 15.838 15.179 2.020 1.00 0.00 C ATOM 505 OD1 ASP A 33 15.817 15.386 0.788 1.00 0.00 O ATOM 506 OD2 ASP A 33 15.936 16.093 2.866 1.00 0.00 O ATOM 0 H ASP A 33 14.580 13.811 0.324 1.00 0.00 H new ATOM 0 HA ASP A 33 14.405 12.068 2.405 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.991 13.715 3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 33 16.478 13.138 1.991 1.00 0.00 H new ATOM 511 N SER A 34 13.055 14.972 3.251 1.00 0.00 N ATOM 512 CA SER A 34 12.148 15.607 4.200 1.00 0.00 C ATOM 513 C SER A 34 10.903 14.753 4.418 1.00 0.00 C ATOM 514 O SER A 34 10.357 14.702 5.519 1.00 0.00 O ATOM 515 CB SER A 34 11.747 16.997 3.701 1.00 0.00 C ATOM 516 OG SER A 34 11.285 16.944 2.362 1.00 0.00 O ATOM 0 H SER A 34 13.400 15.592 2.518 1.00 0.00 H new ATOM 0 HA SER A 34 12.669 15.706 5.152 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.966 17.406 4.343 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.601 17.671 3.768 1.00 0.00 H new ATOM 0 HG SER A 34 11.033 17.844 2.067 1.00 0.00 H new ATOM 522 N ALA A 35 10.461 14.083 3.359 1.00 0.00 N ATOM 523 CA ALA A 35 9.282 13.229 3.433 1.00 0.00 C ATOM 524 C ALA A 35 9.330 12.333 4.667 1.00 0.00 C ATOM 525 O ALA A 35 10.393 12.122 5.250 1.00 0.00 O ATOM 526 CB ALA A 35 9.159 12.387 2.172 1.00 0.00 C ATOM 0 H ALA A 35 10.902 14.115 2.440 1.00 0.00 H new ATOM 0 HA ALA A 35 8.404 13.870 3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.274 11.754 2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.070 13.041 1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 35 10.045 11.761 2.065 1.00 0.00 H new ATOM 532 N GLN A 36 8.173 11.810 5.058 1.00 0.00 N ATOM 533 CA GLN A 36 8.084 10.938 6.223 1.00 0.00 C ATOM 534 C GLN A 36 6.995 9.887 6.035 1.00 0.00 C ATOM 535 O GLN A 36 6.129 10.024 5.171 1.00 0.00 O ATOM 536 CB GLN A 36 7.804 11.761 7.482 1.00 0.00 C ATOM 537 CG GLN A 36 8.869 12.804 7.777 1.00 0.00 C ATOM 538 CD GLN A 36 8.372 13.903 8.695 1.00 0.00 C ATOM 539 OE1 GLN A 36 7.404 14.597 8.383 1.00 0.00 O ATOM 540 NE2 GLN A 36 9.034 14.068 9.834 1.00 0.00 N ATOM 0 H GLN A 36 7.284 11.975 4.585 1.00 0.00 H new ATOM 0 HA GLN A 36 9.040 10.427 6.337 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.840 12.259 7.374 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.721 11.088 8.335 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.732 12.318 8.233 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.210 13.245 6.840 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.831 13.470 10.052 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.746 14.793 10.491 1.00 0.00 H new ATOM 549 N VAL A 37 7.045 8.838 6.850 1.00 0.00 N ATOM 550 CA VAL A 37 6.062 7.764 6.774 1.00 0.00 C ATOM 551 C VAL A 37 4.674 8.310 6.460 1.00 0.00 C ATOM 552 O VAL A 37 3.987 7.814 5.566 1.00 0.00 O ATOM 553 CB VAL A 37 6.001 6.965 8.089 1.00 0.00 C ATOM 554 CG1 VAL A 37 7.158 5.981 8.170 1.00 0.00 C ATOM 555 CG2 VAL A 37 6.006 7.905 9.285 1.00 0.00 C ATOM 0 H VAL A 37 7.756 8.709 7.570 1.00 0.00 H new ATOM 0 HA VAL A 37 6.379 7.101 5.969 1.00 0.00 H new ATOM 0 HB VAL A 37 5.070 6.398 8.106 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.098 5.425 9.106 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.104 5.286 7.332 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.102 6.525 8.131 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.962 7.323 10.205 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.919 8.501 9.275 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.141 8.566 9.232 1.00 0.00 H new ATOM 565 N PHE A 38 4.266 9.336 7.200 1.00 0.00 N ATOM 566 CA PHE A 38 2.959 9.950 7.000 1.00 0.00 C ATOM 567 C PHE A 38 2.707 10.226 5.521 1.00 0.00 C ATOM 568 O PHE A 38 1.779 9.677 4.925 1.00 0.00 O ATOM 569 CB PHE A 38 2.857 11.252 7.798 1.00 0.00 C ATOM 570 CG PHE A 38 1.484 11.861 7.778 1.00 0.00 C ATOM 571 CD1 PHE A 38 0.357 11.066 7.911 1.00 0.00 C ATOM 572 CD2 PHE A 38 1.320 13.229 7.627 1.00 0.00 C ATOM 573 CE1 PHE A 38 -0.907 11.624 7.893 1.00 0.00 C ATOM 574 CE2 PHE A 38 0.058 13.792 7.608 1.00 0.00 C ATOM 575 CZ PHE A 38 -1.057 12.989 7.742 1.00 0.00 C ATOM 0 H PHE A 38 4.822 9.759 7.943 1.00 0.00 H new ATOM 0 HA PHE A 38 2.200 9.253 7.355 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.145 11.059 8.831 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.571 11.972 7.397 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.468 9.998 8.030 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.189 13.862 7.523 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.777 10.993 7.997 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.056 14.859 7.488 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.044 13.427 7.729 1.00 0.00 H new ATOM 585 N ASP A 39 3.539 11.079 4.935 1.00 0.00 N ATOM 586 CA ASP A 39 3.408 11.428 3.525 1.00 0.00 C ATOM 587 C ASP A 39 2.955 10.223 2.706 1.00 0.00 C ATOM 588 O ASP A 39 1.912 10.261 2.052 1.00 0.00 O ATOM 589 CB ASP A 39 4.737 11.958 2.983 1.00 0.00 C ATOM 590 CG ASP A 39 4.993 13.397 3.382 1.00 0.00 C ATOM 591 OD1 ASP A 39 5.313 13.636 4.565 1.00 0.00 O ATOM 592 OD2 ASP A 39 4.871 14.285 2.513 1.00 0.00 O ATOM 0 H ASP A 39 4.311 11.542 5.414 1.00 0.00 H new ATOM 0 HA ASP A 39 2.652 12.208 3.438 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.551 11.332 3.350 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.740 11.880 1.896 1.00 0.00 H new ATOM 597 N LEU A 40 3.745 9.156 2.747 1.00 0.00 N ATOM 598 CA LEU A 40 3.425 7.939 2.009 1.00 0.00 C ATOM 599 C LEU A 40 2.170 7.277 2.567 1.00 0.00 C ATOM 600 O LEU A 40 1.430 6.615 1.840 1.00 0.00 O ATOM 601 CB LEU A 40 4.600 6.961 2.066 1.00 0.00 C ATOM 602 CG LEU A 40 4.406 5.635 1.329 1.00 0.00 C ATOM 603 CD1 LEU A 40 4.190 5.878 -0.157 1.00 0.00 C ATOM 604 CD2 LEU A 40 5.602 4.721 1.553 1.00 0.00 C ATOM 0 H LEU A 40 4.611 9.109 3.283 1.00 0.00 H new ATOM 0 HA LEU A 40 3.237 8.212 0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.480 7.457 1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.816 6.744 3.112 1.00 0.00 H new ATOM 0 HG LEU A 40 3.519 5.144 1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.054 4.924 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.303 6.495 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.058 6.390 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.447 3.782 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.505 5.205 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.712 4.521 2.619 1.00 0.00 H new ATOM 616 N ALA A 41 1.935 7.463 3.861 1.00 0.00 N ATOM 617 CA ALA A 41 0.767 6.887 4.516 1.00 0.00 C ATOM 618 C ALA A 41 -0.502 7.645 4.141 1.00 0.00 C ATOM 619 O ALA A 41 -1.609 7.121 4.266 1.00 0.00 O ATOM 620 CB ALA A 41 0.955 6.885 6.026 1.00 0.00 C ATOM 0 H ALA A 41 2.538 8.008 4.477 1.00 0.00 H new ATOM 0 HA ALA A 41 0.660 5.858 4.173 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.075 6.452 6.502 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.834 6.294 6.282 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.091 7.908 6.377 1.00 0.00 H new ATOM 626 N GLN A 42 -0.334 8.881 3.681 1.00 0.00 N ATOM 627 CA GLN A 42 -1.467 9.711 3.289 1.00 0.00 C ATOM 628 C GLN A 42 -1.973 9.322 1.905 1.00 0.00 C ATOM 629 O GLN A 42 -3.122 8.906 1.746 1.00 0.00 O ATOM 630 CB GLN A 42 -1.072 11.189 3.304 1.00 0.00 C ATOM 631 CG GLN A 42 -0.645 11.691 4.674 1.00 0.00 C ATOM 632 CD GLN A 42 -0.711 13.201 4.789 1.00 0.00 C ATOM 633 OE1 GLN A 42 0.442 13.832 4.976 1.00 0.00 O flip ATOM 634 NE2 GLN A 42 -1.787 13.794 4.710 1.00 0.00 N flip ATOM 0 H GLN A 42 0.576 9.329 3.571 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.270 9.549 4.008 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.256 11.346 2.598 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.915 11.785 2.954 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.284 11.244 5.436 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.373 11.359 4.877 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.649 13.269 4.566 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.816 14.811 4.789 1.00 0.00 H new ATOM 643 N THR A 43 -1.110 9.458 0.903 1.00 0.00 N ATOM 644 CA THR A 43 -1.470 9.123 -0.468 1.00 0.00 C ATOM 645 C THR A 43 -2.245 7.811 -0.528 1.00 0.00 C ATOM 646 O THR A 43 -2.991 7.562 -1.476 1.00 0.00 O ATOM 647 CB THR A 43 -0.223 9.010 -1.365 1.00 0.00 C ATOM 648 OG1 THR A 43 -0.598 9.128 -2.742 1.00 0.00 O ATOM 649 CG2 THR A 43 0.488 7.684 -1.140 1.00 0.00 C ATOM 0 H THR A 43 -0.155 9.799 1.016 1.00 0.00 H new ATOM 0 HA THR A 43 -2.101 9.932 -0.836 1.00 0.00 H new ATOM 0 HB THR A 43 0.459 9.819 -1.104 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.200 9.057 -3.306 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.365 7.628 -1.785 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.798 7.610 -0.098 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.189 6.863 -1.376 1.00 0.00 H new ATOM 657 N LEU A 44 -2.065 6.976 0.490 1.00 0.00 N ATOM 658 CA LEU A 44 -2.749 5.689 0.554 1.00 0.00 C ATOM 659 C LEU A 44 -3.872 5.720 1.585 1.00 0.00 C ATOM 660 O LEU A 44 -4.848 4.978 1.476 1.00 0.00 O ATOM 661 CB LEU A 44 -1.755 4.578 0.898 1.00 0.00 C ATOM 662 CG LEU A 44 -0.450 4.575 0.102 1.00 0.00 C ATOM 663 CD1 LEU A 44 0.600 3.725 0.801 1.00 0.00 C ATOM 664 CD2 LEU A 44 -0.690 4.071 -1.314 1.00 0.00 C ATOM 0 H LEU A 44 -1.451 7.167 1.282 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.185 5.488 -0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.511 4.652 1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.249 3.618 0.751 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.080 5.599 0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.522 3.735 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.793 4.130 1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.238 2.701 0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.250 4.076 -1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.084 3.055 -1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.408 4.721 -1.815 1.00 0.00 H new ATOM 676 N ARG A 45 -3.728 6.585 2.583 1.00 0.00 N ATOM 677 CA ARG A 45 -4.731 6.714 3.633 1.00 0.00 C ATOM 678 C ARG A 45 -6.139 6.714 3.044 1.00 0.00 C ATOM 679 O ARG A 45 -7.070 6.169 3.635 1.00 0.00 O ATOM 680 CB ARG A 45 -4.501 7.997 4.434 1.00 0.00 C ATOM 681 CG ARG A 45 -5.579 8.270 5.470 1.00 0.00 C ATOM 682 CD ARG A 45 -5.650 9.747 5.825 1.00 0.00 C ATOM 683 NE ARG A 45 -6.773 10.045 6.708 1.00 0.00 N ATOM 684 CZ ARG A 45 -6.898 11.184 7.381 1.00 0.00 C ATOM 685 NH1 ARG A 45 -5.973 12.127 7.271 1.00 0.00 N ATOM 686 NH2 ARG A 45 -7.950 11.381 8.166 1.00 0.00 N ATOM 0 H ARG A 45 -2.926 7.207 2.687 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.635 5.857 4.299 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.535 7.934 4.935 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.449 8.841 3.746 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.545 7.940 5.087 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.377 7.688 6.369 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.720 10.049 6.307 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.741 10.335 4.912 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.502 9.340 6.814 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.163 11.979 6.669 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.071 13.000 7.789 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.664 10.658 8.253 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.045 12.256 8.682 1.00 0.00 H new ATOM 700 N ASP A 46 -6.285 7.330 1.876 1.00 0.00 N ATOM 701 CA ASP A 46 -7.578 7.402 1.206 1.00 0.00 C ATOM 702 C ASP A 46 -8.021 6.021 0.731 1.00 0.00 C ATOM 703 O ASP A 46 -9.106 5.554 1.074 1.00 0.00 O ATOM 704 CB ASP A 46 -7.509 8.365 0.020 1.00 0.00 C ATOM 705 CG ASP A 46 -6.325 8.086 -0.885 1.00 0.00 C ATOM 706 OD1 ASP A 46 -5.187 8.034 -0.374 1.00 0.00 O ATOM 707 OD2 ASP A 46 -6.537 7.919 -2.105 1.00 0.00 O ATOM 0 H ASP A 46 -5.524 7.787 1.374 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.311 7.773 1.923 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.430 8.291 -0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.446 9.388 0.390 1.00 0.00 H new ATOM 712 N GLY A 47 -7.172 5.374 -0.063 1.00 0.00 N ATOM 713 CA GLY A 47 -7.495 4.054 -0.573 1.00 0.00 C ATOM 714 C GLY A 47 -7.771 4.060 -2.064 1.00 0.00 C ATOM 715 O GLY A 47 -8.592 3.284 -2.554 1.00 0.00 O ATOM 0 H GLY A 47 -6.268 5.740 -0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.669 3.374 -0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.368 3.668 -0.047 1.00 0.00 H new ATOM 719 N VAL A 48 -7.086 4.940 -2.787 1.00 0.00 N ATOM 720 CA VAL A 48 -7.262 5.045 -4.231 1.00 0.00 C ATOM 721 C VAL A 48 -6.068 4.457 -4.974 1.00 0.00 C ATOM 722 O VAL A 48 -6.207 3.937 -6.082 1.00 0.00 O ATOM 723 CB VAL A 48 -7.454 6.509 -4.668 1.00 0.00 C ATOM 724 CG1 VAL A 48 -7.564 6.605 -6.182 1.00 0.00 C ATOM 725 CG2 VAL A 48 -8.681 7.108 -3.997 1.00 0.00 C ATOM 0 H VAL A 48 -6.404 5.591 -2.397 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.158 4.478 -4.483 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.581 7.081 -4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.699 7.647 -6.472 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.653 6.217 -6.638 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.418 6.020 -6.523 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.802 8.143 -4.317 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.565 6.536 -4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.556 7.075 -2.915 1.00 0.00 H new ATOM 735 N LEU A 49 -4.894 4.542 -4.358 1.00 0.00 N ATOM 736 CA LEU A 49 -3.674 4.017 -4.961 1.00 0.00 C ATOM 737 C LEU A 49 -3.511 2.531 -4.655 1.00 0.00 C ATOM 738 O LEU A 49 -3.354 1.713 -5.563 1.00 0.00 O ATOM 739 CB LEU A 49 -2.456 4.791 -4.453 1.00 0.00 C ATOM 740 CG LEU A 49 -1.150 4.562 -5.213 1.00 0.00 C ATOM 741 CD1 LEU A 49 -1.348 4.809 -6.701 1.00 0.00 C ATOM 742 CD2 LEU A 49 -0.049 5.458 -4.664 1.00 0.00 C ATOM 0 H LEU A 49 -4.761 4.969 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.750 4.140 -6.041 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.689 5.855 -4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.295 4.530 -3.407 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.849 3.524 -5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.408 4.641 -7.226 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.105 4.126 -7.086 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.673 5.837 -6.859 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.874 5.281 -5.217 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.342 6.502 -4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.111 5.233 -3.610 1.00 0.00 H new ATOM 754 N LEU A 50 -3.550 2.189 -3.373 1.00 0.00 N ATOM 755 CA LEU A 50 -3.408 0.801 -2.946 1.00 0.00 C ATOM 756 C LEU A 50 -4.041 -0.147 -3.960 1.00 0.00 C ATOM 757 O LEU A 50 -3.371 -1.023 -4.508 1.00 0.00 O ATOM 758 CB LEU A 50 -4.052 0.601 -1.573 1.00 0.00 C ATOM 759 CG LEU A 50 -3.140 0.824 -0.366 1.00 0.00 C ATOM 760 CD1 LEU A 50 -3.934 0.730 0.928 1.00 0.00 C ATOM 761 CD2 LEU A 50 -1.998 -0.182 -0.367 1.00 0.00 C ATOM 0 H LEU A 50 -3.679 2.854 -2.610 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.344 0.574 -2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.903 1.278 -1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.446 -0.414 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.716 1.826 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.268 0.891 1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.716 1.489 0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.387 -0.258 1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.359 -0.008 0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.403 -1.193 -0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.412 -0.067 -1.279 1.00 0.00 H new ATOM 773 N CYS A 51 -5.333 0.036 -4.206 1.00 0.00 N ATOM 774 CA CYS A 51 -6.057 -0.803 -5.156 1.00 0.00 C ATOM 775 C CYS A 51 -5.294 -0.916 -6.472 1.00 0.00 C ATOM 776 O CYS A 51 -5.208 -1.995 -7.059 1.00 0.00 O ATOM 777 CB CYS A 51 -7.453 -0.234 -5.410 1.00 0.00 C ATOM 778 SG CYS A 51 -8.479 -0.105 -3.926 1.00 0.00 S ATOM 0 H CYS A 51 -5.901 0.757 -3.762 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.152 -1.799 -4.724 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.355 0.755 -5.858 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.964 -0.864 -6.138 1.00 0.00 H new ATOM 0 HG CYS A 51 -8.503 1.130 -3.521 1.00 0.00 H new ATOM 784 N GLN A 52 -4.743 0.203 -6.929 1.00 0.00 N ATOM 785 CA GLN A 52 -3.989 0.229 -8.177 1.00 0.00 C ATOM 786 C GLN A 52 -2.819 -0.747 -8.126 1.00 0.00 C ATOM 787 O GLN A 52 -2.654 -1.582 -9.016 1.00 0.00 O ATOM 788 CB GLN A 52 -3.479 1.643 -8.460 1.00 0.00 C ATOM 789 CG GLN A 52 -4.573 2.698 -8.452 1.00 0.00 C ATOM 790 CD GLN A 52 -4.235 3.896 -9.318 1.00 0.00 C ATOM 791 OE1 GLN A 52 -3.360 4.694 -8.981 1.00 0.00 O ATOM 792 NE2 GLN A 52 -4.928 4.027 -10.443 1.00 0.00 N ATOM 0 H GLN A 52 -4.804 1.104 -6.454 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.657 -0.076 -8.983 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.728 1.905 -7.715 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.983 1.654 -9.430 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.504 2.253 -8.802 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.744 3.031 -7.428 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.644 3.342 -10.683 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.744 4.813 -11.067 1.00 0.00 H new ATOM 801 N LEU A 53 -2.007 -0.636 -7.080 1.00 0.00 N ATOM 802 CA LEU A 53 -0.850 -1.508 -6.913 1.00 0.00 C ATOM 803 C LEU A 53 -1.140 -2.906 -7.451 1.00 0.00 C ATOM 804 O LEU A 53 -0.529 -3.347 -8.425 1.00 0.00 O ATOM 805 CB LEU A 53 -0.457 -1.589 -5.437 1.00 0.00 C ATOM 806 CG LEU A 53 0.651 -2.585 -5.091 1.00 0.00 C ATOM 807 CD1 LEU A 53 1.956 -2.186 -5.764 1.00 0.00 C ATOM 808 CD2 LEU A 53 0.833 -2.678 -3.583 1.00 0.00 C ATOM 0 H LEU A 53 -2.129 0.050 -6.335 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.021 -1.085 -7.481 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.142 -0.598 -5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.344 -1.848 -4.859 1.00 0.00 H new ATOM 0 HG LEU A 53 0.360 -3.567 -5.463 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.733 -2.906 -5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.818 -2.172 -6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.253 -1.194 -5.423 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.625 -3.391 -3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.102 -1.698 -3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.098 -3.011 -3.124 1.00 0.00 H new ATOM 820 N LEU A 54 -2.078 -3.597 -6.813 1.00 0.00 N ATOM 821 CA LEU A 54 -2.451 -4.945 -7.228 1.00 0.00 C ATOM 822 C LEU A 54 -2.828 -4.974 -8.706 1.00 0.00 C ATOM 823 O LEU A 54 -2.378 -5.841 -9.454 1.00 0.00 O ATOM 824 CB LEU A 54 -3.619 -5.455 -6.383 1.00 0.00 C ATOM 825 CG LEU A 54 -3.407 -5.443 -4.868 1.00 0.00 C ATOM 826 CD1 LEU A 54 -4.602 -6.059 -4.157 1.00 0.00 C ATOM 827 CD2 LEU A 54 -2.128 -6.180 -4.503 1.00 0.00 C ATOM 0 H LEU A 54 -2.594 -3.246 -6.006 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.590 -5.596 -7.078 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.497 -4.852 -6.612 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.845 -6.476 -6.690 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.311 -4.407 -4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.433 -6.042 -3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.500 -5.488 -4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.731 -7.090 -4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.993 -6.161 -3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.194 -7.214 -4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.278 -5.694 -4.983 1.00 0.00 H new ATOM 839 N ASN A 55 -3.655 -4.019 -9.120 1.00 0.00 N ATOM 840 CA ASN A 55 -4.090 -3.934 -10.509 1.00 0.00 C ATOM 841 C ASN A 55 -2.893 -3.866 -11.452 1.00 0.00 C ATOM 842 O ASN A 55 -2.956 -4.337 -12.587 1.00 0.00 O ATOM 843 CB ASN A 55 -4.983 -2.708 -10.712 1.00 0.00 C ATOM 844 CG ASN A 55 -6.238 -2.761 -9.862 1.00 0.00 C ATOM 845 OD1 ASN A 55 -6.640 -3.825 -9.392 1.00 0.00 O ATOM 846 ND2 ASN A 55 -6.865 -1.607 -9.661 1.00 0.00 N ATOM 0 H ASN A 55 -4.037 -3.294 -8.513 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.661 -4.834 -10.740 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.420 -1.807 -10.468 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.262 -2.635 -11.763 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.715 -1.580 -9.098 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.496 -0.748 -10.070 1.00 0.00 H new ATOM 853 N ASN A 56 -1.802 -3.277 -10.972 1.00 0.00 N ATOM 854 CA ASN A 56 -0.589 -3.148 -11.772 1.00 0.00 C ATOM 855 C ASN A 56 0.139 -4.484 -11.877 1.00 0.00 C ATOM 856 O ASN A 56 0.599 -4.871 -12.952 1.00 0.00 O ATOM 857 CB ASN A 56 0.339 -2.095 -11.162 1.00 0.00 C ATOM 858 CG ASN A 56 0.060 -0.702 -11.692 1.00 0.00 C ATOM 859 OD1 ASN A 56 0.161 -0.451 -12.893 1.00 0.00 O ATOM 860 ND2 ASN A 56 -0.293 0.212 -10.795 1.00 0.00 N ATOM 0 H ASN A 56 -1.733 -2.882 -10.034 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.877 -2.832 -12.775 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.225 -2.098 -10.078 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.375 -2.361 -11.374 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.493 1.167 -11.092 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.364 -0.041 -9.810 1.00 0.00 H new ATOM 867 N LEU A 57 0.239 -5.187 -10.753 1.00 0.00 N ATOM 868 CA LEU A 57 0.911 -6.481 -10.718 1.00 0.00 C ATOM 869 C LEU A 57 0.126 -7.523 -11.508 1.00 0.00 C ATOM 870 O LEU A 57 0.642 -8.117 -12.455 1.00 0.00 O ATOM 871 CB LEU A 57 1.087 -6.947 -9.272 1.00 0.00 C ATOM 872 CG LEU A 57 1.661 -5.916 -8.299 1.00 0.00 C ATOM 873 CD1 LEU A 57 1.756 -6.498 -6.898 1.00 0.00 C ATOM 874 CD2 LEU A 57 3.025 -5.437 -8.774 1.00 0.00 C ATOM 0 H LEU A 57 -0.137 -4.882 -9.855 1.00 0.00 H new ATOM 0 HA LEU A 57 1.892 -6.366 -11.178 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.117 -7.272 -8.895 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.738 -7.821 -9.270 1.00 0.00 H new ATOM 0 HG LEU A 57 0.988 -5.059 -8.268 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.167 -5.750 -6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.763 -6.790 -6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.407 -7.372 -6.911 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.419 -4.704 -8.070 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.707 -6.285 -8.835 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.927 -4.979 -9.758 1.00 0.00 H new ATOM 886 N ARG A 58 -1.125 -7.739 -11.114 1.00 0.00 N ATOM 887 CA ARG A 58 -1.981 -8.709 -11.785 1.00 0.00 C ATOM 888 C ARG A 58 -3.146 -8.013 -12.484 1.00 0.00 C ATOM 889 O ARG A 58 -3.514 -6.893 -12.133 1.00 0.00 O ATOM 890 CB ARG A 58 -2.513 -9.733 -10.781 1.00 0.00 C ATOM 891 CG ARG A 58 -2.772 -11.103 -11.388 1.00 0.00 C ATOM 892 CD ARG A 58 -3.821 -11.871 -10.599 1.00 0.00 C ATOM 893 NE ARG A 58 -4.258 -13.076 -11.300 1.00 0.00 N ATOM 894 CZ ARG A 58 -3.584 -14.221 -11.283 1.00 0.00 C ATOM 895 NH1 ARG A 58 -2.449 -14.316 -10.604 1.00 0.00 N ATOM 896 NH2 ARG A 58 -4.047 -15.274 -11.945 1.00 0.00 N ATOM 0 H ARG A 58 -1.568 -7.255 -10.333 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.384 -9.225 -12.537 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.797 -9.836 -9.966 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.439 -9.356 -10.347 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.103 -10.988 -12.420 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.843 -11.673 -11.412 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.414 -12.145 -9.626 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.681 -11.226 -10.415 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.128 -13.036 -11.831 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.091 -13.509 -10.093 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.934 -15.196 -10.593 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.920 -15.204 -12.467 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.529 -16.153 -11.932 1.00 0.00 H new ATOM 910 N ALA A 59 -3.721 -8.686 -13.476 1.00 0.00 N ATOM 911 CA ALA A 59 -4.844 -8.134 -14.223 1.00 0.00 C ATOM 912 C ALA A 59 -6.173 -8.532 -13.591 1.00 0.00 C ATOM 913 O ALA A 59 -6.316 -9.636 -13.066 1.00 0.00 O ATOM 914 CB ALA A 59 -4.789 -8.591 -15.673 1.00 0.00 C ATOM 0 H ALA A 59 -3.427 -9.614 -13.780 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.769 -7.047 -14.193 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.634 -8.171 -16.219 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.858 -8.250 -16.127 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.835 -9.679 -15.714 1.00 0.00 H new ATOM 920 N HIS A 60 -7.143 -7.625 -13.643 1.00 0.00 N ATOM 921 CA HIS A 60 -8.462 -7.882 -13.075 1.00 0.00 C ATOM 922 C HIS A 60 -8.369 -8.108 -11.569 1.00 0.00 C ATOM 923 O HIS A 60 -9.128 -8.895 -11.002 1.00 0.00 O ATOM 924 CB HIS A 60 -9.102 -9.097 -13.747 1.00 0.00 C ATOM 925 CG HIS A 60 -9.858 -8.761 -14.996 1.00 0.00 C ATOM 926 ND1 HIS A 60 -11.174 -9.121 -15.199 1.00 0.00 N ATOM 927 CD2 HIS A 60 -9.476 -8.094 -16.110 1.00 0.00 C ATOM 928 CE1 HIS A 60 -11.568 -8.690 -16.384 1.00 0.00 C ATOM 929 NE2 HIS A 60 -10.556 -8.064 -16.957 1.00 0.00 N ATOM 0 H HIS A 60 -7.041 -6.706 -14.073 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.086 -7.007 -13.256 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.324 -9.821 -13.987 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.779 -9.578 -13.041 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.503 -7.665 -16.298 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -12.550 -8.826 -16.811 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -10.574 -7.629 -17.879 1.00 0.00 H new ATOM 938 N SER A 61 -7.434 -7.415 -10.927 1.00 0.00 N ATOM 939 CA SER A 61 -7.240 -7.544 -9.488 1.00 0.00 C ATOM 940 C SER A 61 -8.277 -6.727 -8.724 1.00 0.00 C ATOM 941 O SER A 61 -8.867 -7.205 -7.754 1.00 0.00 O ATOM 942 CB SER A 61 -5.831 -7.091 -9.100 1.00 0.00 C ATOM 943 OG SER A 61 -4.862 -7.624 -9.986 1.00 0.00 O ATOM 0 H SER A 61 -6.799 -6.758 -11.381 1.00 0.00 H new ATOM 0 HA SER A 61 -7.363 -8.594 -9.223 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.779 -6.002 -9.112 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.611 -7.409 -8.081 1.00 0.00 H new ATOM 0 HG SER A 61 -4.658 -6.965 -10.682 1.00 0.00 H new ATOM 949 N ILE A 62 -8.494 -5.494 -9.168 1.00 0.00 N ATOM 950 CA ILE A 62 -9.461 -4.611 -8.528 1.00 0.00 C ATOM 951 C ILE A 62 -10.095 -3.663 -9.541 1.00 0.00 C ATOM 952 O ILE A 62 -9.397 -2.993 -10.300 1.00 0.00 O ATOM 953 CB ILE A 62 -8.809 -3.783 -7.405 1.00 0.00 C ATOM 954 CG1 ILE A 62 -8.130 -4.705 -6.390 1.00 0.00 C ATOM 955 CG2 ILE A 62 -9.849 -2.908 -6.720 1.00 0.00 C ATOM 956 CD1 ILE A 62 -7.338 -3.964 -5.335 1.00 0.00 C ATOM 0 H ILE A 62 -8.013 -5.084 -9.969 1.00 0.00 H new ATOM 0 HA ILE A 62 -10.234 -5.248 -8.097 1.00 0.00 H new ATOM 0 HB ILE A 62 -8.050 -3.136 -7.845 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.889 -5.315 -5.901 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.465 -5.387 -6.919 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.373 -2.329 -5.929 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.292 -2.230 -7.450 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -10.628 -3.538 -6.290 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.885 -4.681 -4.650 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.556 -3.375 -5.814 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.002 -3.302 -4.780 1.00 0.00 H new ATOM 968 N ASN A 63 -11.423 -3.611 -9.544 1.00 0.00 N ATOM 969 CA ASN A 63 -12.152 -2.744 -10.462 1.00 0.00 C ATOM 970 C ASN A 63 -12.214 -1.316 -9.929 1.00 0.00 C ATOM 971 O ASN A 63 -12.831 -1.054 -8.895 1.00 0.00 O ATOM 972 CB ASN A 63 -13.568 -3.279 -10.686 1.00 0.00 C ATOM 973 CG ASN A 63 -14.341 -2.461 -11.702 1.00 0.00 C ATOM 974 OD1 ASN A 63 -13.809 -1.521 -12.293 1.00 0.00 O ATOM 975 ND2 ASN A 63 -15.604 -2.815 -11.909 1.00 0.00 N ATOM 0 H ASN A 63 -12.016 -4.159 -8.921 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.620 -2.735 -11.413 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.513 -4.314 -11.023 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.107 -3.280 -9.739 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -16.174 -2.301 -12.580 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.004 -3.601 -11.397 1.00 0.00 H new ATOM 982 N LEU A 64 -11.571 -0.397 -10.640 1.00 0.00 N ATOM 983 CA LEU A 64 -11.554 1.006 -10.239 1.00 0.00 C ATOM 984 C LEU A 64 -12.969 1.524 -10.006 1.00 0.00 C ATOM 985 O LEU A 64 -13.207 2.328 -9.104 1.00 0.00 O ATOM 986 CB LEU A 64 -10.858 1.853 -11.307 1.00 0.00 C ATOM 987 CG LEU A 64 -9.380 1.546 -11.549 1.00 0.00 C ATOM 988 CD1 LEU A 64 -8.852 2.357 -12.722 1.00 0.00 C ATOM 989 CD2 LEU A 64 -8.565 1.826 -10.295 1.00 0.00 C ATOM 0 H LEU A 64 -11.055 -0.597 -11.497 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.000 1.084 -9.303 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.393 1.727 -12.248 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.949 2.902 -11.026 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.283 0.488 -11.792 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.799 2.126 -12.880 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.417 2.107 -13.620 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.962 3.420 -12.508 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.515 1.602 -10.486 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.668 2.876 -10.021 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.927 1.201 -9.479 1.00 0.00 H new ATOM 1001 N LYS A 65 -13.907 1.056 -10.823 1.00 0.00 N ATOM 1002 CA LYS A 65 -15.301 1.468 -10.704 1.00 0.00 C ATOM 1003 C LYS A 65 -15.886 1.029 -9.365 1.00 0.00 C ATOM 1004 O LYS A 65 -16.684 1.745 -8.762 1.00 0.00 O ATOM 1005 CB LYS A 65 -16.127 0.881 -11.851 1.00 0.00 C ATOM 1006 CG LYS A 65 -15.633 1.291 -13.228 1.00 0.00 C ATOM 1007 CD LYS A 65 -15.882 2.766 -13.493 1.00 0.00 C ATOM 1008 CE LYS A 65 -15.253 3.210 -14.805 1.00 0.00 C ATOM 1009 NZ LYS A 65 -15.991 4.350 -15.416 1.00 0.00 N ATOM 0 H LYS A 65 -13.727 0.391 -11.575 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.338 2.556 -10.757 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -16.113 -0.206 -11.778 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.165 1.195 -11.738 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.567 1.080 -13.311 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.136 0.694 -13.989 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -16.955 2.956 -13.520 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -15.474 3.358 -12.674 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.217 3.500 -14.631 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.237 2.372 -15.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -15.531 4.623 -16.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -16.973 4.066 -15.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -15.984 5.158 -14.762 1.00 0.00 H new ATOM 1023 N GLU A 66 -15.482 -0.152 -8.907 1.00 0.00 N ATOM 1024 CA GLU A 66 -15.967 -0.685 -7.639 1.00 0.00 C ATOM 1025 C GLU A 66 -15.473 0.160 -6.469 1.00 0.00 C ATOM 1026 O GLU A 66 -16.106 0.211 -5.415 1.00 0.00 O ATOM 1027 CB GLU A 66 -15.512 -2.135 -7.463 1.00 0.00 C ATOM 1028 CG GLU A 66 -16.254 -3.118 -8.353 1.00 0.00 C ATOM 1029 CD GLU A 66 -17.617 -3.490 -7.802 1.00 0.00 C ATOM 1030 OE1 GLU A 66 -18.529 -2.638 -7.853 1.00 0.00 O ATOM 1031 OE2 GLU A 66 -17.772 -4.631 -7.321 1.00 0.00 O ATOM 0 H GLU A 66 -14.821 -0.757 -9.394 1.00 0.00 H new ATOM 0 HA GLU A 66 -17.056 -0.653 -7.653 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.445 -2.200 -7.675 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.649 -2.426 -6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.374 -2.685 -9.346 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.655 -4.021 -8.469 1.00 0.00 H new ATOM 1038 N ILE A 67 -14.337 0.822 -6.663 1.00 0.00 N ATOM 1039 CA ILE A 67 -13.758 1.666 -5.625 1.00 0.00 C ATOM 1040 C ILE A 67 -14.020 3.141 -5.906 1.00 0.00 C ATOM 1041 O ILE A 67 -13.927 3.593 -7.046 1.00 0.00 O ATOM 1042 CB ILE A 67 -12.239 1.441 -5.499 1.00 0.00 C ATOM 1043 CG1 ILE A 67 -11.572 1.533 -6.873 1.00 0.00 C ATOM 1044 CG2 ILE A 67 -11.955 0.091 -4.856 1.00 0.00 C ATOM 1045 CD1 ILE A 67 -10.061 1.492 -6.815 1.00 0.00 C ATOM 0 H ILE A 67 -13.800 0.790 -7.529 1.00 0.00 H new ATOM 0 HA ILE A 67 -14.238 1.387 -4.687 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.823 2.221 -4.861 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.926 0.711 -7.496 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -11.884 2.458 -7.358 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.878 -0.053 -4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -12.402 0.060 -3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.381 -0.702 -5.471 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.656 1.562 -7.825 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.697 2.329 -6.219 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -9.740 0.556 -6.359 1.00 0.00 H new ATOM 1057 N ASN A 68 -14.347 3.889 -4.856 1.00 0.00 N ATOM 1058 CA ASN A 68 -14.621 5.315 -4.989 1.00 0.00 C ATOM 1059 C ASN A 68 -13.353 6.081 -5.352 1.00 0.00 C ATOM 1060 O ASN A 68 -12.625 6.548 -4.475 1.00 0.00 O ATOM 1061 CB ASN A 68 -15.209 5.866 -3.689 1.00 0.00 C ATOM 1062 CG ASN A 68 -14.633 5.187 -2.461 1.00 0.00 C ATOM 1063 OD1 ASN A 68 -13.703 5.696 -1.836 1.00 0.00 O ATOM 1064 ND2 ASN A 68 -15.185 4.031 -2.110 1.00 0.00 N ATOM 0 H ASN A 68 -14.428 3.531 -3.904 1.00 0.00 H new ATOM 0 HA ASN A 68 -15.346 5.447 -5.792 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -15.017 6.937 -3.632 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -16.291 5.736 -3.699 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.839 3.528 -1.293 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.955 3.646 -2.658 1.00 0.00 H new ATOM 1071 N LEU A 69 -13.096 6.208 -6.649 1.00 0.00 N ATOM 1072 CA LEU A 69 -11.916 6.919 -7.129 1.00 0.00 C ATOM 1073 C LEU A 69 -11.758 8.257 -6.414 1.00 0.00 C ATOM 1074 O LEU A 69 -10.644 8.753 -6.244 1.00 0.00 O ATOM 1075 CB LEU A 69 -12.010 7.143 -8.639 1.00 0.00 C ATOM 1076 CG LEU A 69 -11.503 6.000 -9.520 1.00 0.00 C ATOM 1077 CD1 LEU A 69 -12.073 6.117 -10.926 1.00 0.00 C ATOM 1078 CD2 LEU A 69 -9.982 5.991 -9.559 1.00 0.00 C ATOM 0 H LEU A 69 -13.689 5.828 -7.387 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.041 6.307 -6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.052 7.336 -8.893 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.449 8.044 -8.888 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.841 5.057 -9.090 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.702 5.296 -11.539 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.161 6.074 -10.882 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.765 7.066 -11.366 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.639 5.171 -10.190 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.623 6.937 -9.965 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.593 5.859 -8.549 1.00 0.00 H new ATOM 1090 N ARG A 70 -12.879 8.835 -5.996 1.00 0.00 N ATOM 1091 CA ARG A 70 -12.865 10.115 -5.298 1.00 0.00 C ATOM 1092 C ARG A 70 -13.471 9.980 -3.904 1.00 0.00 C ATOM 1093 O ARG A 70 -14.635 10.306 -3.672 1.00 0.00 O ATOM 1094 CB ARG A 70 -13.634 11.166 -6.101 1.00 0.00 C ATOM 1095 CG ARG A 70 -15.032 10.724 -6.501 1.00 0.00 C ATOM 1096 CD ARG A 70 -15.650 11.678 -7.511 1.00 0.00 C ATOM 1097 NE ARG A 70 -17.110 11.646 -7.472 1.00 0.00 N ATOM 1098 CZ ARG A 70 -17.878 12.642 -7.899 1.00 0.00 C ATOM 1099 NH1 ARG A 70 -17.328 13.742 -8.395 1.00 0.00 N ATOM 1100 NH2 ARG A 70 -19.199 12.538 -7.831 1.00 0.00 N ATOM 0 H ARG A 70 -13.809 8.437 -6.129 1.00 0.00 H new ATOM 0 HA ARG A 70 -11.828 10.434 -5.195 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -13.706 12.080 -5.512 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -13.068 11.410 -7.000 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -14.990 9.721 -6.925 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -15.665 10.670 -5.615 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -15.304 12.692 -7.311 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -15.308 11.417 -8.513 1.00 0.00 H new ATOM 0 HE ARG A 70 -17.564 10.814 -7.096 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -16.313 13.825 -8.449 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -17.920 14.505 -8.722 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -19.625 11.693 -7.451 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -19.788 13.303 -8.159 1.00 0.00 H new ATOM 1114 N PRO A 71 -12.663 9.489 -2.952 1.00 0.00 N ATOM 1115 CA PRO A 71 -13.098 9.301 -1.565 1.00 0.00 C ATOM 1116 C PRO A 71 -13.310 10.625 -0.839 1.00 0.00 C ATOM 1117 O PRO A 71 -13.783 10.651 0.297 1.00 0.00 O ATOM 1118 CB PRO A 71 -11.940 8.524 -0.933 1.00 0.00 C ATOM 1119 CG PRO A 71 -10.751 8.879 -1.758 1.00 0.00 C ATOM 1120 CD PRO A 71 -11.263 9.081 -3.157 1.00 0.00 C ATOM 0 HA PRO A 71 -14.058 8.788 -1.505 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -11.797 8.806 0.110 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.128 7.450 -0.950 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.272 9.784 -1.383 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.004 8.086 -1.727 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.695 9.846 -3.686 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.193 8.167 -3.747 1.00 0.00 H new ATOM 1128 N GLN A 72 -12.958 11.721 -1.503 1.00 0.00 N ATOM 1129 CA GLN A 72 -13.111 13.049 -0.919 1.00 0.00 C ATOM 1130 C GLN A 72 -12.829 13.021 0.579 1.00 0.00 C ATOM 1131 O GLN A 72 -13.656 13.446 1.385 1.00 0.00 O ATOM 1132 CB GLN A 72 -14.522 13.582 -1.174 1.00 0.00 C ATOM 1133 CG GLN A 72 -14.970 13.449 -2.621 1.00 0.00 C ATOM 1134 CD GLN A 72 -16.386 13.945 -2.841 1.00 0.00 C ATOM 1135 OE1 GLN A 72 -16.939 14.667 -2.011 1.00 0.00 O ATOM 1136 NE2 GLN A 72 -16.980 13.560 -3.964 1.00 0.00 N ATOM 0 H GLN A 72 -12.565 11.716 -2.444 1.00 0.00 H new ATOM 0 HA GLN A 72 -12.388 13.712 -1.394 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -15.224 13.048 -0.534 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -14.563 14.632 -0.885 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -14.289 14.010 -3.261 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -14.904 12.404 -2.923 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -16.484 12.961 -4.624 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -17.933 13.863 -4.167 1.00 0.00 H new ATOM 1145 N MET A 73 -11.655 12.516 0.946 1.00 0.00 N ATOM 1146 CA MET A 73 -11.264 12.433 2.349 1.00 0.00 C ATOM 1147 C MET A 73 -12.472 12.142 3.234 1.00 0.00 C ATOM 1148 O MET A 73 -12.695 12.818 4.238 1.00 0.00 O ATOM 1149 CB MET A 73 -10.594 13.735 2.791 1.00 0.00 C ATOM 1150 CG MET A 73 -9.107 13.789 2.483 1.00 0.00 C ATOM 1151 SD MET A 73 -8.736 13.346 0.775 1.00 0.00 S ATOM 1152 CE MET A 73 -8.418 11.591 0.941 1.00 0.00 C ATOM 0 H MET A 73 -10.959 12.158 0.292 1.00 0.00 H new ATOM 0 HA MET A 73 -10.553 11.613 2.455 1.00 0.00 H new ATOM 0 HB2 MET A 73 -11.089 14.573 2.300 1.00 0.00 H new ATOM 0 HB3 MET A 73 -10.739 13.863 3.864 1.00 0.00 H new ATOM 0 HG2 MET A 73 -8.735 14.794 2.683 1.00 0.00 H new ATOM 0 HG3 MET A 73 -8.576 13.113 3.153 1.00 0.00 H new ATOM 0 HE1 MET A 73 -7.402 11.373 0.613 1.00 0.00 H new ATOM 0 HE2 MET A 73 -8.534 11.297 1.984 1.00 0.00 H new ATOM 0 HE3 MET A 73 -9.125 11.033 0.327 1.00 0.00 H new ATOM 1162 N SER A 74 -13.249 11.132 2.854 1.00 0.00 N ATOM 1163 CA SER A 74 -14.436 10.755 3.612 1.00 0.00 C ATOM 1164 C SER A 74 -14.116 9.644 4.607 1.00 0.00 C ATOM 1165 O SER A 74 -12.987 9.157 4.666 1.00 0.00 O ATOM 1166 CB SER A 74 -15.548 10.301 2.664 1.00 0.00 C ATOM 1167 OG SER A 74 -16.250 11.412 2.133 1.00 0.00 O ATOM 0 H SER A 74 -13.078 10.561 2.026 1.00 0.00 H new ATOM 0 HA SER A 74 -14.775 11.629 4.168 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.120 9.715 1.851 1.00 0.00 H new ATOM 0 HB3 SER A 74 -16.241 9.650 3.197 1.00 0.00 H new ATOM 0 HG SER A 74 -16.954 11.096 1.529 1.00 0.00 H new ATOM 1173 N GLN A 75 -15.117 9.250 5.387 1.00 0.00 N ATOM 1174 CA GLN A 75 -14.943 8.197 6.381 1.00 0.00 C ATOM 1175 C GLN A 75 -15.490 6.869 5.868 1.00 0.00 C ATOM 1176 O GLN A 75 -14.924 5.808 6.135 1.00 0.00 O ATOM 1177 CB GLN A 75 -15.639 8.579 7.687 1.00 0.00 C ATOM 1178 CG GLN A 75 -15.306 7.655 8.848 1.00 0.00 C ATOM 1179 CD GLN A 75 -16.249 7.829 10.022 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -16.322 8.903 10.620 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -16.977 6.771 10.358 1.00 0.00 N ATOM 0 H GLN A 75 -16.057 9.644 5.350 1.00 0.00 H new ATOM 0 HA GLN A 75 -13.875 8.081 6.568 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -15.359 9.598 7.953 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -16.717 8.575 7.529 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -15.344 6.621 8.506 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.284 7.845 9.177 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.884 5.901 9.834 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.629 6.828 11.140 1.00 0.00 H new ATOM 1190 N PHE A 76 -16.594 6.934 5.132 1.00 0.00 N ATOM 1191 CA PHE A 76 -17.219 5.736 4.584 1.00 0.00 C ATOM 1192 C PHE A 76 -16.499 5.278 3.318 1.00 0.00 C ATOM 1193 O PHE A 76 -16.002 4.153 3.246 1.00 0.00 O ATOM 1194 CB PHE A 76 -18.695 5.999 4.277 1.00 0.00 C ATOM 1195 CG PHE A 76 -19.492 6.412 5.481 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -19.564 7.743 5.858 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -20.170 5.469 6.236 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -20.297 8.126 6.966 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -20.905 5.845 7.345 1.00 0.00 C ATOM 1200 CZ PHE A 76 -20.969 7.176 7.710 1.00 0.00 C ATOM 0 H PHE A 76 -17.075 7.804 4.901 1.00 0.00 H new ATOM 0 HA PHE A 76 -17.146 4.945 5.330 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -18.767 6.778 3.518 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -19.136 5.098 3.851 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -19.041 8.490 5.280 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -20.124 4.427 5.955 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -20.344 9.167 7.249 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -21.428 5.099 7.925 1.00 0.00 H new ATOM 0 HZ PHE A 76 -21.543 7.473 8.575 1.00 0.00 H new ATOM 1210 N LEU A 77 -16.448 6.156 2.323 1.00 0.00 N ATOM 1211 CA LEU A 77 -15.790 5.844 1.059 1.00 0.00 C ATOM 1212 C LEU A 77 -14.370 5.339 1.295 1.00 0.00 C ATOM 1213 O LEU A 77 -14.000 4.259 0.833 1.00 0.00 O ATOM 1214 CB LEU A 77 -15.761 7.079 0.157 1.00 0.00 C ATOM 1215 CG LEU A 77 -17.116 7.717 -0.151 1.00 0.00 C ATOM 1216 CD1 LEU A 77 -16.930 9.069 -0.822 1.00 0.00 C ATOM 1217 CD2 LEU A 77 -17.952 6.795 -1.027 1.00 0.00 C ATOM 0 H LEU A 77 -16.855 7.090 2.367 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.359 5.056 0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.126 7.831 0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.288 6.804 -0.786 1.00 0.00 H new ATOM 0 HG LEU A 77 -17.645 7.872 0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.905 9.507 -1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.371 9.730 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -16.380 8.940 -1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -18.913 7.265 -1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -17.427 6.609 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -18.115 5.850 -0.509 1.00 0.00 H new ATOM 1229 N CYS A 78 -13.581 6.125 2.018 1.00 0.00 N ATOM 1230 CA CYS A 78 -12.201 5.757 2.317 1.00 0.00 C ATOM 1231 C CYS A 78 -12.127 4.343 2.884 1.00 0.00 C ATOM 1232 O CYS A 78 -11.573 3.439 2.256 1.00 0.00 O ATOM 1233 CB CYS A 78 -11.590 6.749 3.307 1.00 0.00 C ATOM 1234 SG CYS A 78 -11.191 8.359 2.587 1.00 0.00 S ATOM 0 H CYS A 78 -13.872 7.021 2.408 1.00 0.00 H new ATOM 0 HA CYS A 78 -11.633 5.787 1.387 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -12.285 6.895 4.134 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -10.682 6.315 3.726 1.00 0.00 H new ATOM 0 HG CYS A 78 -11.691 9.302 3.329 1.00 0.00 H new ATOM 1240 N LEU A 79 -12.686 4.158 4.075 1.00 0.00 N ATOM 1241 CA LEU A 79 -12.681 2.854 4.728 1.00 0.00 C ATOM 1242 C LEU A 79 -13.153 1.764 3.771 1.00 0.00 C ATOM 1243 O LEU A 79 -12.614 0.657 3.758 1.00 0.00 O ATOM 1244 CB LEU A 79 -13.574 2.881 5.970 1.00 0.00 C ATOM 1245 CG LEU A 79 -13.060 3.707 7.149 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -14.124 3.815 8.230 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -11.785 3.097 7.712 1.00 0.00 C ATOM 0 H LEU A 79 -13.148 4.895 4.608 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.658 2.629 5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -14.552 3.266 5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -13.723 1.856 6.308 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.832 4.711 6.792 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -13.740 4.406 9.061 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.011 4.298 7.820 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -14.385 2.818 8.585 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -11.433 3.698 8.551 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.987 2.082 8.053 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.020 3.074 6.936 1.00 0.00 H new ATOM 1259 N LYS A 80 -14.163 2.085 2.969 1.00 0.00 N ATOM 1260 CA LYS A 80 -14.707 1.136 2.005 1.00 0.00 C ATOM 1261 C LYS A 80 -13.639 0.705 1.004 1.00 0.00 C ATOM 1262 O LYS A 80 -13.355 -0.483 0.858 1.00 0.00 O ATOM 1263 CB LYS A 80 -15.896 1.753 1.266 1.00 0.00 C ATOM 1264 CG LYS A 80 -16.896 0.728 0.759 1.00 0.00 C ATOM 1265 CD LYS A 80 -16.389 0.024 -0.488 1.00 0.00 C ATOM 1266 CE LYS A 80 -16.459 0.931 -1.707 1.00 0.00 C ATOM 1267 NZ LYS A 80 -15.398 0.607 -2.701 1.00 0.00 N ATOM 0 H LYS A 80 -14.622 2.996 2.968 1.00 0.00 H new ATOM 0 HA LYS A 80 -15.045 0.255 2.551 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -16.407 2.447 1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.526 2.335 0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.092 -0.008 1.539 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.844 1.220 0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.360 -0.299 -0.332 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -16.981 -0.874 -0.667 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.438 0.834 -2.176 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -16.358 1.970 -1.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.669 1.348 -2.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.966 -0.309 -2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.817 0.555 -3.651 1.00 0.00 H new ATOM 1281 N ASN A 81 -13.051 1.679 0.317 1.00 0.00 N ATOM 1282 CA ASN A 81 -12.014 1.400 -0.669 1.00 0.00 C ATOM 1283 C ASN A 81 -10.950 0.472 -0.093 1.00 0.00 C ATOM 1284 O ASN A 81 -10.772 -0.653 -0.562 1.00 0.00 O ATOM 1285 CB ASN A 81 -11.368 2.704 -1.143 1.00 0.00 C ATOM 1286 CG ASN A 81 -12.123 3.338 -2.295 1.00 0.00 C ATOM 1287 OD1 ASN A 81 -13.084 2.768 -2.811 1.00 0.00 O ATOM 1288 ND2 ASN A 81 -11.689 4.524 -2.705 1.00 0.00 N ATOM 0 H ASN A 81 -13.275 2.668 0.425 1.00 0.00 H new ATOM 0 HA ASN A 81 -12.481 0.903 -1.520 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.323 3.407 -0.311 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.341 2.507 -1.450 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.157 4.999 -3.477 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.888 4.960 -2.248 1.00 0.00 H new ATOM 1295 N ILE A 82 -10.245 0.951 0.927 1.00 0.00 N ATOM 1296 CA ILE A 82 -9.200 0.163 1.569 1.00 0.00 C ATOM 1297 C ILE A 82 -9.586 -1.310 1.640 1.00 0.00 C ATOM 1298 O ILE A 82 -8.885 -2.173 1.111 1.00 0.00 O ATOM 1299 CB ILE A 82 -8.904 0.674 2.992 1.00 0.00 C ATOM 1300 CG1 ILE A 82 -8.437 2.130 2.948 1.00 0.00 C ATOM 1301 CG2 ILE A 82 -7.857 -0.204 3.662 1.00 0.00 C ATOM 1302 CD1 ILE A 82 -8.372 2.785 4.310 1.00 0.00 C ATOM 0 H ILE A 82 -10.379 1.880 1.326 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.304 0.271 0.958 1.00 0.00 H new ATOM 0 HB ILE A 82 -9.821 0.625 3.578 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.451 2.173 2.486 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -9.113 2.701 2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.658 0.169 4.667 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -8.225 -1.228 3.722 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.937 -0.183 3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.033 3.815 4.202 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -9.362 2.774 4.767 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.674 2.238 4.944 1.00 0.00 H new ATOM 1314 N ARG A 83 -10.708 -1.591 2.296 1.00 0.00 N ATOM 1315 CA ARG A 83 -11.189 -2.960 2.435 1.00 0.00 C ATOM 1316 C ARG A 83 -11.069 -3.716 1.115 1.00 0.00 C ATOM 1317 O ARG A 83 -10.551 -4.833 1.070 1.00 0.00 O ATOM 1318 CB ARG A 83 -12.643 -2.967 2.908 1.00 0.00 C ATOM 1319 CG ARG A 83 -12.801 -2.702 4.397 1.00 0.00 C ATOM 1320 CD ARG A 83 -14.123 -2.016 4.703 1.00 0.00 C ATOM 1321 NE ARG A 83 -15.189 -2.978 4.971 1.00 0.00 N ATOM 1322 CZ ARG A 83 -16.478 -2.658 5.000 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -16.858 -1.407 4.780 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -17.389 -3.589 5.250 1.00 0.00 N ATOM 0 H ARG A 83 -11.300 -0.889 2.739 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.570 -3.462 3.179 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.201 -2.213 2.352 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.089 -3.933 2.670 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.743 -3.643 4.943 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.977 -2.080 4.746 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -14.000 -1.361 5.566 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -14.407 -1.385 3.861 1.00 0.00 H new ATOM 0 HE ARG A 83 -14.929 -3.949 5.145 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -16.160 -0.688 4.588 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -17.848 -1.163 4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -17.100 -4.552 5.420 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -18.378 -3.342 5.272 1.00 0.00 H new ATOM 1338 N THR A 84 -11.551 -3.099 0.040 1.00 0.00 N ATOM 1339 CA THR A 84 -11.499 -3.713 -1.281 1.00 0.00 C ATOM 1340 C THR A 84 -10.122 -4.305 -1.559 1.00 0.00 C ATOM 1341 O THR A 84 -10.006 -5.426 -2.054 1.00 0.00 O ATOM 1342 CB THR A 84 -11.842 -2.697 -2.386 1.00 0.00 C ATOM 1343 OG1 THR A 84 -13.093 -2.063 -2.099 1.00 0.00 O ATOM 1344 CG2 THR A 84 -11.913 -3.379 -3.744 1.00 0.00 C ATOM 0 H THR A 84 -11.982 -2.175 0.059 1.00 0.00 H new ATOM 0 HA THR A 84 -12.242 -4.511 -1.288 1.00 0.00 H new ATOM 0 HB THR A 84 -11.053 -1.945 -2.415 1.00 0.00 H new ATOM 0 HG1 THR A 84 -12.948 -1.320 -1.477 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.157 -2.642 -4.509 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.950 -3.835 -3.973 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.684 -4.150 -3.724 1.00 0.00 H new ATOM 1352 N PHE A 85 -9.081 -3.545 -1.237 1.00 0.00 N ATOM 1353 CA PHE A 85 -7.710 -3.995 -1.452 1.00 0.00 C ATOM 1354 C PHE A 85 -7.411 -5.243 -0.627 1.00 0.00 C ATOM 1355 O PHE A 85 -7.002 -6.273 -1.165 1.00 0.00 O ATOM 1356 CB PHE A 85 -6.723 -2.882 -1.091 1.00 0.00 C ATOM 1357 CG PHE A 85 -5.379 -3.392 -0.655 1.00 0.00 C ATOM 1358 CD1 PHE A 85 -4.414 -3.726 -1.591 1.00 0.00 C ATOM 1359 CD2 PHE A 85 -5.081 -3.537 0.690 1.00 0.00 C ATOM 1360 CE1 PHE A 85 -3.177 -4.196 -1.193 1.00 0.00 C ATOM 1361 CE2 PHE A 85 -3.846 -4.006 1.095 1.00 0.00 C ATOM 1362 CZ PHE A 85 -2.892 -4.335 0.152 1.00 0.00 C ATOM 0 H PHE A 85 -9.160 -2.615 -0.826 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.597 -4.243 -2.507 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.593 -2.229 -1.954 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -7.149 -2.274 -0.293 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.631 -3.618 -2.643 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.823 -3.280 1.431 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.434 -4.454 -1.933 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.627 -4.115 2.147 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.925 -4.700 0.465 1.00 0.00 H new ATOM 1372 N LEU A 86 -7.618 -5.144 0.681 1.00 0.00 N ATOM 1373 CA LEU A 86 -7.371 -6.264 1.582 1.00 0.00 C ATOM 1374 C LEU A 86 -8.084 -7.522 1.096 1.00 0.00 C ATOM 1375 O LEU A 86 -7.639 -8.641 1.352 1.00 0.00 O ATOM 1376 CB LEU A 86 -7.832 -5.917 2.998 1.00 0.00 C ATOM 1377 CG LEU A 86 -7.201 -4.672 3.624 1.00 0.00 C ATOM 1378 CD1 LEU A 86 -8.058 -4.159 4.771 1.00 0.00 C ATOM 1379 CD2 LEU A 86 -5.789 -4.975 4.104 1.00 0.00 C ATOM 0 H LEU A 86 -7.956 -4.299 1.142 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.299 -6.459 1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.914 -5.783 2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.625 -6.769 3.645 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.146 -3.893 2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.594 -3.273 5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.050 -3.903 4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.146 -4.933 5.534 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.355 -4.078 4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.821 -5.769 4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.178 -5.295 3.260 1.00 0.00 H new ATOM 1391 N THR A 87 -9.195 -7.330 0.391 1.00 0.00 N ATOM 1392 CA THR A 87 -9.970 -8.448 -0.133 1.00 0.00 C ATOM 1393 C THR A 87 -9.268 -9.096 -1.321 1.00 0.00 C ATOM 1394 O THR A 87 -9.113 -10.315 -1.372 1.00 0.00 O ATOM 1395 CB THR A 87 -11.379 -8.001 -0.565 1.00 0.00 C ATOM 1396 OG1 THR A 87 -12.032 -7.326 0.516 1.00 0.00 O ATOM 1397 CG2 THR A 87 -12.215 -9.194 -1.003 1.00 0.00 C ATOM 0 H THR A 87 -9.578 -6.411 0.170 1.00 0.00 H new ATOM 0 HA THR A 87 -10.059 -9.176 0.673 1.00 0.00 H new ATOM 0 HB THR A 87 -11.277 -7.320 -1.410 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.564 -6.487 0.708 1.00 0.00 H new ATOM 0 HG21 THR A 87 -13.206 -8.853 -1.303 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.730 -9.688 -1.845 1.00 0.00 H new ATOM 0 HG23 THR A 87 -12.309 -9.896 -0.175 1.00 0.00 H new ATOM 1405 N ALA A 88 -8.845 -8.271 -2.273 1.00 0.00 N ATOM 1406 CA ALA A 88 -8.157 -8.764 -3.460 1.00 0.00 C ATOM 1407 C ALA A 88 -6.874 -9.500 -3.085 1.00 0.00 C ATOM 1408 O ALA A 88 -6.475 -10.453 -3.755 1.00 0.00 O ATOM 1409 CB ALA A 88 -7.850 -7.615 -4.408 1.00 0.00 C ATOM 0 H ALA A 88 -8.967 -7.259 -2.246 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.816 -9.470 -3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.336 -7.998 -5.290 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.780 -7.134 -4.710 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.213 -6.888 -3.904 1.00 0.00 H new ATOM 1415 N CYS A 89 -6.233 -9.051 -2.012 1.00 0.00 N ATOM 1416 CA CYS A 89 -4.994 -9.666 -1.548 1.00 0.00 C ATOM 1417 C CYS A 89 -5.212 -11.136 -1.206 1.00 0.00 C ATOM 1418 O CYS A 89 -4.269 -11.928 -1.197 1.00 0.00 O ATOM 1419 CB CYS A 89 -4.455 -8.919 -0.327 1.00 0.00 C ATOM 1420 SG CYS A 89 -3.338 -7.555 -0.730 1.00 0.00 S ATOM 0 H CYS A 89 -6.550 -8.263 -1.447 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.262 -9.604 -2.354 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.295 -8.529 0.247 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -3.931 -9.626 0.316 1.00 0.00 H new ATOM 0 HG CYS A 89 -3.711 -6.486 -0.092 1.00 0.00 H new ATOM 1426 N CYS A 90 -6.459 -11.493 -0.922 1.00 0.00 N ATOM 1427 CA CYS A 90 -6.801 -12.868 -0.576 1.00 0.00 C ATOM 1428 C CYS A 90 -7.619 -13.521 -1.685 1.00 0.00 C ATOM 1429 O CYS A 90 -7.666 -14.746 -1.795 1.00 0.00 O ATOM 1430 CB CYS A 90 -7.581 -12.906 0.740 1.00 0.00 C ATOM 1431 SG CYS A 90 -7.970 -14.574 1.319 1.00 0.00 S ATOM 0 H CYS A 90 -7.250 -10.850 -0.924 1.00 0.00 H new ATOM 0 HA CYS A 90 -5.873 -13.428 -0.457 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -7.003 -12.392 1.508 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -8.510 -12.350 0.615 1.00 0.00 H new ATOM 0 HG CYS A 90 -8.041 -15.381 0.302 1.00 0.00 H new ATOM 1437 N GLU A 91 -8.264 -12.695 -2.503 1.00 0.00 N ATOM 1438 CA GLU A 91 -9.082 -13.193 -3.602 1.00 0.00 C ATOM 1439 C GLU A 91 -8.265 -13.295 -4.886 1.00 0.00 C ATOM 1440 O GLU A 91 -8.202 -14.352 -5.515 1.00 0.00 O ATOM 1441 CB GLU A 91 -10.289 -12.279 -3.824 1.00 0.00 C ATOM 1442 CG GLU A 91 -11.252 -12.246 -2.648 1.00 0.00 C ATOM 1443 CD GLU A 91 -12.289 -13.350 -2.713 1.00 0.00 C ATOM 1444 OE1 GLU A 91 -12.652 -13.759 -3.835 1.00 0.00 O ATOM 1445 OE2 GLU A 91 -12.738 -13.805 -1.640 1.00 0.00 O ATOM 0 H GLU A 91 -8.236 -11.678 -2.425 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.434 -14.190 -3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.936 -11.267 -4.022 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.826 -12.609 -4.713 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.689 -12.336 -1.719 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.756 -11.280 -2.623 1.00 0.00 H new ATOM 1452 N THR A 92 -7.638 -12.187 -5.272 1.00 0.00 N ATOM 1453 CA THR A 92 -6.826 -12.150 -6.481 1.00 0.00 C ATOM 1454 C THR A 92 -5.493 -12.859 -6.271 1.00 0.00 C ATOM 1455 O THR A 92 -5.069 -13.663 -7.101 1.00 0.00 O ATOM 1456 CB THR A 92 -6.559 -10.702 -6.934 1.00 0.00 C ATOM 1457 OG1 THR A 92 -7.795 -10.050 -7.247 1.00 0.00 O ATOM 1458 CG2 THR A 92 -5.644 -10.675 -8.149 1.00 0.00 C ATOM 0 H THR A 92 -7.678 -11.304 -4.764 1.00 0.00 H new ATOM 0 HA THR A 92 -7.391 -12.667 -7.257 1.00 0.00 H new ATOM 0 HB THR A 92 -6.067 -10.174 -6.117 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.228 -9.754 -6.419 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.470 -9.642 -8.450 1.00 0.00 H new ATOM 0 HG22 THR A 92 -4.693 -11.145 -7.899 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.113 -11.218 -8.970 1.00 0.00 H new ATOM 1466 N PHE A 93 -4.837 -12.557 -5.155 1.00 0.00 N ATOM 1467 CA PHE A 93 -3.552 -13.166 -4.836 1.00 0.00 C ATOM 1468 C PHE A 93 -3.738 -14.408 -3.969 1.00 0.00 C ATOM 1469 O PHE A 93 -3.528 -15.532 -4.423 1.00 0.00 O ATOM 1470 CB PHE A 93 -2.651 -12.159 -4.117 1.00 0.00 C ATOM 1471 CG PHE A 93 -2.174 -11.043 -5.001 1.00 0.00 C ATOM 1472 CD1 PHE A 93 -3.074 -10.153 -5.564 1.00 0.00 C ATOM 1473 CD2 PHE A 93 -0.824 -10.884 -5.271 1.00 0.00 C ATOM 1474 CE1 PHE A 93 -2.638 -9.125 -6.378 1.00 0.00 C ATOM 1475 CE2 PHE A 93 -0.382 -9.858 -6.085 1.00 0.00 C ATOM 1476 CZ PHE A 93 -1.290 -8.978 -6.639 1.00 0.00 C ATOM 0 H PHE A 93 -5.175 -11.894 -4.457 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.078 -13.465 -5.771 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.195 -11.736 -3.272 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.787 -12.683 -3.709 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.130 -10.264 -5.364 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.109 -11.570 -4.840 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.350 -8.438 -6.809 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.673 -9.745 -6.287 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.947 -8.176 -7.275 1.00 0.00 H new ATOM 1486 N GLY A 94 -4.134 -14.195 -2.718 1.00 0.00 N ATOM 1487 CA GLY A 94 -4.342 -15.305 -1.807 1.00 0.00 C ATOM 1488 C GLY A 94 -3.397 -15.268 -0.622 1.00 0.00 C ATOM 1489 O GLY A 94 -2.698 -16.243 -0.346 1.00 0.00 O ATOM 0 H GLY A 94 -4.314 -13.274 -2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.371 -15.288 -1.448 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.208 -16.243 -2.346 1.00 0.00 H new ATOM 1493 N MET A 95 -3.373 -14.139 0.079 1.00 0.00 N ATOM 1494 CA MET A 95 -2.505 -13.979 1.240 1.00 0.00 C ATOM 1495 C MET A 95 -3.291 -14.160 2.535 1.00 0.00 C ATOM 1496 O MET A 95 -4.515 -14.028 2.553 1.00 0.00 O ATOM 1497 CB MET A 95 -1.841 -12.601 1.221 1.00 0.00 C ATOM 1498 CG MET A 95 -0.518 -12.574 0.474 1.00 0.00 C ATOM 1499 SD MET A 95 0.617 -11.328 1.115 1.00 0.00 S ATOM 1500 CE MET A 95 -0.207 -9.823 0.600 1.00 0.00 C ATOM 0 H MET A 95 -3.944 -13.322 -0.137 1.00 0.00 H new ATOM 0 HA MET A 95 -1.733 -14.747 1.194 1.00 0.00 H new ATOM 0 HB2 MET A 95 -2.523 -11.885 0.762 1.00 0.00 H new ATOM 0 HB3 MET A 95 -1.676 -12.272 2.247 1.00 0.00 H new ATOM 0 HG2 MET A 95 -0.048 -13.555 0.539 1.00 0.00 H new ATOM 0 HG3 MET A 95 -0.705 -12.380 -0.582 1.00 0.00 H new ATOM 0 HE1 MET A 95 0.366 -8.960 0.940 1.00 0.00 H new ATOM 0 HE2 MET A 95 -0.283 -9.803 -0.487 1.00 0.00 H new ATOM 0 HE3 MET A 95 -1.206 -9.789 1.034 1.00 0.00 H new ATOM 1510 N ARG A 96 -2.580 -14.463 3.616 1.00 0.00 N ATOM 1511 CA ARG A 96 -3.212 -14.663 4.914 1.00 0.00 C ATOM 1512 C ARG A 96 -3.790 -13.355 5.445 1.00 0.00 C ATOM 1513 O ARG A 96 -3.109 -12.330 5.480 1.00 0.00 O ATOM 1514 CB ARG A 96 -2.202 -15.230 5.915 1.00 0.00 C ATOM 1515 CG ARG A 96 -1.787 -16.661 5.617 1.00 0.00 C ATOM 1516 CD ARG A 96 -1.297 -17.371 6.869 1.00 0.00 C ATOM 1517 NE ARG A 96 -2.346 -17.486 7.879 1.00 0.00 N ATOM 1518 CZ ARG A 96 -2.416 -18.481 8.756 1.00 0.00 C ATOM 1519 NH1 ARG A 96 -1.502 -19.442 8.748 1.00 0.00 N ATOM 1520 NH2 ARG A 96 -3.400 -18.516 9.644 1.00 0.00 N ATOM 0 H ARG A 96 -1.566 -14.575 3.618 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.027 -15.375 4.787 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -1.315 -14.597 5.921 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.631 -15.186 6.916 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -2.632 -17.206 5.196 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -0.999 -16.663 4.864 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -0.938 -18.366 6.605 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.450 -16.827 7.286 1.00 0.00 H new ATOM 0 HE ARG A 96 -3.064 -16.762 7.913 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.743 -19.418 8.067 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.558 -20.205 9.423 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.104 -17.778 9.654 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.453 -19.281 10.317 1.00 0.00 H new ATOM 1534 N LYS A 97 -5.053 -13.397 5.858 1.00 0.00 N ATOM 1535 CA LYS A 97 -5.724 -12.217 6.388 1.00 0.00 C ATOM 1536 C LYS A 97 -5.054 -11.740 7.673 1.00 0.00 C ATOM 1537 O LYS A 97 -5.020 -10.543 7.959 1.00 0.00 O ATOM 1538 CB LYS A 97 -7.201 -12.520 6.653 1.00 0.00 C ATOM 1539 CG LYS A 97 -7.968 -11.347 7.238 1.00 0.00 C ATOM 1540 CD LYS A 97 -8.554 -10.465 6.148 1.00 0.00 C ATOM 1541 CE LYS A 97 -9.840 -9.794 6.605 1.00 0.00 C ATOM 1542 NZ LYS A 97 -10.943 -10.778 6.791 1.00 0.00 N ATOM 0 H LYS A 97 -5.632 -14.236 5.835 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.650 -11.424 5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.674 -12.823 5.719 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.273 -13.367 7.336 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.769 -11.717 7.878 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.304 -10.755 7.869 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.827 -9.704 5.864 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.751 -11.065 5.260 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.661 -9.267 7.542 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.140 -9.046 5.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.859 -10.294 6.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.870 -11.522 6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.871 -11.206 7.736 1.00 0.00 H new ATOM 1556 N SER A 98 -4.522 -12.684 8.442 1.00 0.00 N ATOM 1557 CA SER A 98 -3.855 -12.360 9.698 1.00 0.00 C ATOM 1558 C SER A 98 -2.575 -11.569 9.445 1.00 0.00 C ATOM 1559 O SER A 98 -2.038 -10.932 10.350 1.00 0.00 O ATOM 1560 CB SER A 98 -3.533 -13.639 10.474 1.00 0.00 C ATOM 1561 OG SER A 98 -4.717 -14.271 10.929 1.00 0.00 O ATOM 0 H SER A 98 -4.540 -13.679 8.218 1.00 0.00 H new ATOM 0 HA SER A 98 -4.531 -11.744 10.291 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.973 -14.324 9.837 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.894 -13.401 11.324 1.00 0.00 H new ATOM 0 HG SER A 98 -4.484 -15.086 11.420 1.00 0.00 H new ATOM 1567 N GLU A 99 -2.092 -11.617 8.207 1.00 0.00 N ATOM 1568 CA GLU A 99 -0.875 -10.906 7.834 1.00 0.00 C ATOM 1569 C GLU A 99 -1.189 -9.474 7.411 1.00 0.00 C ATOM 1570 O GLU A 99 -0.412 -8.554 7.669 1.00 0.00 O ATOM 1571 CB GLU A 99 -0.157 -11.640 6.699 1.00 0.00 C ATOM 1572 CG GLU A 99 0.605 -12.872 7.157 1.00 0.00 C ATOM 1573 CD GLU A 99 1.013 -13.767 6.003 1.00 0.00 C ATOM 1574 OE1 GLU A 99 1.237 -13.239 4.894 1.00 0.00 O ATOM 1575 OE2 GLU A 99 1.108 -14.995 6.209 1.00 0.00 O ATOM 0 H GLU A 99 -2.525 -12.141 7.446 1.00 0.00 H new ATOM 0 HA GLU A 99 -0.222 -10.873 8.706 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -0.890 -11.935 5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.537 -10.953 6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 99 1.495 -12.562 7.704 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -0.014 -13.440 7.852 1.00 0.00 H new ATOM 1582 N LEU A 100 -2.332 -9.294 6.759 1.00 0.00 N ATOM 1583 CA LEU A 100 -2.750 -7.974 6.299 1.00 0.00 C ATOM 1584 C LEU A 100 -2.845 -6.995 7.465 1.00 0.00 C ATOM 1585 O LEU A 100 -2.659 -7.372 8.622 1.00 0.00 O ATOM 1586 CB LEU A 100 -4.099 -8.066 5.583 1.00 0.00 C ATOM 1587 CG LEU A 100 -4.234 -9.179 4.544 1.00 0.00 C ATOM 1588 CD1 LEU A 100 -5.630 -9.181 3.941 1.00 0.00 C ATOM 1589 CD2 LEU A 100 -3.181 -9.024 3.456 1.00 0.00 C ATOM 0 H LEU A 100 -2.986 -10.045 6.537 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.999 -7.605 5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.877 -8.201 6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.292 -7.112 5.092 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.075 -10.135 5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.707 -9.980 3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.366 -9.342 4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.819 -8.222 3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.292 -9.825 2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.308 -8.061 2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.187 -9.075 3.901 1.00 0.00 H new ATOM 1601 N PHE A 101 -3.139 -5.738 7.152 1.00 0.00 N ATOM 1602 CA PHE A 101 -3.261 -4.705 8.174 1.00 0.00 C ATOM 1603 C PHE A 101 -4.725 -4.354 8.422 1.00 0.00 C ATOM 1604 O PHE A 101 -5.608 -4.764 7.668 1.00 0.00 O ATOM 1605 CB PHE A 101 -2.489 -3.451 7.757 1.00 0.00 C ATOM 1606 CG PHE A 101 -2.860 -2.945 6.393 1.00 0.00 C ATOM 1607 CD1 PHE A 101 -3.897 -2.040 6.233 1.00 0.00 C ATOM 1608 CD2 PHE A 101 -2.172 -3.374 5.269 1.00 0.00 C ATOM 1609 CE1 PHE A 101 -4.241 -1.572 4.979 1.00 0.00 C ATOM 1610 CE2 PHE A 101 -2.511 -2.909 4.013 1.00 0.00 C ATOM 1611 CZ PHE A 101 -3.548 -2.008 3.867 1.00 0.00 C ATOM 0 H PHE A 101 -3.297 -5.410 6.199 1.00 0.00 H new ATOM 0 HA PHE A 101 -2.837 -5.094 9.100 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -2.668 -2.664 8.489 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.421 -3.668 7.777 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -4.443 -1.696 7.099 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -1.362 -4.080 5.376 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -5.051 -0.866 4.869 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -1.965 -3.250 3.145 1.00 0.00 H new ATOM 0 HZ PHE A 101 -3.816 -1.646 2.886 1.00 0.00 H new ATOM 1621 N GLU A 102 -4.975 -3.594 9.484 1.00 0.00 N ATOM 1622 CA GLU A 102 -6.332 -3.191 9.832 1.00 0.00 C ATOM 1623 C GLU A 102 -6.735 -1.929 9.074 1.00 0.00 C ATOM 1624 O GLU A 102 -6.100 -0.883 9.206 1.00 0.00 O ATOM 1625 CB GLU A 102 -6.446 -2.952 11.339 1.00 0.00 C ATOM 1626 CG GLU A 102 -7.785 -2.373 11.764 1.00 0.00 C ATOM 1627 CD GLU A 102 -8.942 -3.314 11.486 1.00 0.00 C ATOM 1628 OE1 GLU A 102 -9.001 -4.387 12.121 1.00 0.00 O ATOM 1629 OE2 GLU A 102 -9.789 -2.975 10.632 1.00 0.00 O ATOM 0 H GLU A 102 -4.256 -3.245 10.118 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.008 -3.997 9.547 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.285 -3.895 11.861 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.651 -2.275 11.652 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.756 -2.144 12.829 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.953 -1.432 11.240 1.00 0.00 H new ATOM 1636 N ALA A 103 -7.795 -2.036 8.280 1.00 0.00 N ATOM 1637 CA ALA A 103 -8.285 -0.904 7.502 1.00 0.00 C ATOM 1638 C ALA A 103 -8.093 0.406 8.259 1.00 0.00 C ATOM 1639 O ALA A 103 -7.609 1.391 7.702 1.00 0.00 O ATOM 1640 CB ALA A 103 -9.751 -1.102 7.148 1.00 0.00 C ATOM 0 H ALA A 103 -8.331 -2.895 8.158 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.705 -0.849 6.581 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.103 -0.250 6.567 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.864 -2.013 6.560 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.338 -1.186 8.063 1.00 0.00 H new ATOM 1646 N PHE A 104 -8.477 0.410 9.532 1.00 0.00 N ATOM 1647 CA PHE A 104 -8.349 1.600 10.365 1.00 0.00 C ATOM 1648 C PHE A 104 -6.893 2.048 10.454 1.00 0.00 C ATOM 1649 O PHE A 104 -6.561 3.186 10.121 1.00 0.00 O ATOM 1650 CB PHE A 104 -8.898 1.328 11.767 1.00 0.00 C ATOM 1651 CG PHE A 104 -9.286 2.574 12.511 1.00 0.00 C ATOM 1652 CD1 PHE A 104 -10.383 3.321 12.112 1.00 0.00 C ATOM 1653 CD2 PHE A 104 -8.554 2.998 13.608 1.00 0.00 C ATOM 1654 CE1 PHE A 104 -10.743 4.468 12.795 1.00 0.00 C ATOM 1655 CE2 PHE A 104 -8.910 4.144 14.295 1.00 0.00 C ATOM 1656 CZ PHE A 104 -10.005 4.880 13.887 1.00 0.00 C ATOM 0 H PHE A 104 -8.879 -0.397 10.009 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.929 2.400 9.904 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -9.768 0.676 11.688 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.147 0.789 12.344 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -10.963 3.004 11.258 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.696 2.427 13.930 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.601 5.041 12.475 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.332 4.463 15.150 1.00 0.00 H new ATOM 0 HZ PHE A 104 -10.284 5.776 14.421 1.00 0.00 H new ATOM 1666 N ASP A 105 -6.030 1.146 10.906 1.00 0.00 N ATOM 1667 CA ASP A 105 -4.609 1.446 11.039 1.00 0.00 C ATOM 1668 C ASP A 105 -4.145 2.380 9.926 1.00 0.00 C ATOM 1669 O ASP A 105 -3.325 3.272 10.150 1.00 0.00 O ATOM 1670 CB ASP A 105 -3.788 0.156 11.014 1.00 0.00 C ATOM 1671 CG ASP A 105 -3.792 -0.559 12.351 1.00 0.00 C ATOM 1672 OD1 ASP A 105 -3.949 0.121 13.387 1.00 0.00 O ATOM 1673 OD2 ASP A 105 -3.639 -1.798 12.361 1.00 0.00 O ATOM 0 H ASP A 105 -6.289 0.200 11.187 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.457 1.945 11.996 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -4.186 -0.510 10.248 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.761 0.388 10.732 1.00 0.00 H new ATOM 1678 N LEU A 106 -4.673 2.170 8.725 1.00 0.00 N ATOM 1679 CA LEU A 106 -4.312 2.993 7.576 1.00 0.00 C ATOM 1680 C LEU A 106 -5.069 4.317 7.594 1.00 0.00 C ATOM 1681 O LEU A 106 -4.465 5.389 7.576 1.00 0.00 O ATOM 1682 CB LEU A 106 -4.605 2.243 6.275 1.00 0.00 C ATOM 1683 CG LEU A 106 -4.358 3.021 4.982 1.00 0.00 C ATOM 1684 CD1 LEU A 106 -2.872 3.071 4.664 1.00 0.00 C ATOM 1685 CD2 LEU A 106 -5.131 2.397 3.829 1.00 0.00 C ATOM 0 H LEU A 106 -5.352 1.437 8.522 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.245 3.206 7.634 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.995 1.340 6.254 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.647 1.924 6.290 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.713 4.042 5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.716 3.629 3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.342 3.563 5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.491 2.057 4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.944 2.963 2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.806 1.366 3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.197 2.414 4.054 1.00 0.00 H new ATOM 1697 N PHE A 107 -6.395 4.234 7.633 1.00 0.00 N ATOM 1698 CA PHE A 107 -7.235 5.425 7.656 1.00 0.00 C ATOM 1699 C PHE A 107 -6.741 6.419 8.703 1.00 0.00 C ATOM 1700 O PHE A 107 -6.261 7.502 8.369 1.00 0.00 O ATOM 1701 CB PHE A 107 -8.689 5.044 7.944 1.00 0.00 C ATOM 1702 CG PHE A 107 -9.663 6.156 7.680 1.00 0.00 C ATOM 1703 CD1 PHE A 107 -9.594 6.892 6.507 1.00 0.00 C ATOM 1704 CD2 PHE A 107 -10.649 6.466 8.603 1.00 0.00 C ATOM 1705 CE1 PHE A 107 -10.489 7.916 6.262 1.00 0.00 C ATOM 1706 CE2 PHE A 107 -11.547 7.489 8.363 1.00 0.00 C ATOM 1707 CZ PHE A 107 -11.467 8.214 7.190 1.00 0.00 C ATOM 0 H PHE A 107 -6.911 3.354 7.649 1.00 0.00 H new ATOM 0 HA PHE A 107 -7.178 5.898 6.676 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -8.959 4.183 7.333 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -8.776 4.735 8.986 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -8.832 6.662 5.777 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -10.717 5.901 9.521 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -10.424 8.483 5.345 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -12.310 7.721 9.091 1.00 0.00 H new ATOM 0 HZ PHE A 107 -12.168 9.013 6.999 1.00 0.00 H new ATOM 1717 N ASP A 108 -6.863 6.043 9.971 1.00 0.00 N ATOM 1718 CA ASP A 108 -6.429 6.900 11.069 1.00 0.00 C ATOM 1719 C ASP A 108 -4.908 7.010 11.103 1.00 0.00 C ATOM 1720 O ASP A 108 -4.351 7.835 11.827 1.00 0.00 O ATOM 1721 CB ASP A 108 -6.943 6.356 12.403 1.00 0.00 C ATOM 1722 CG ASP A 108 -7.201 7.455 13.415 1.00 0.00 C ATOM 1723 OD1 ASP A 108 -7.794 8.486 13.033 1.00 0.00 O ATOM 1724 OD2 ASP A 108 -6.808 7.286 14.588 1.00 0.00 O ATOM 0 H ASP A 108 -7.259 5.150 10.265 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.844 7.895 10.907 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -7.864 5.798 12.234 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.215 5.654 12.811 1.00 0.00 H new ATOM 1729 N VAL A 109 -4.241 6.173 10.315 1.00 0.00 N ATOM 1730 CA VAL A 109 -2.784 6.176 10.254 1.00 0.00 C ATOM 1731 C VAL A 109 -2.177 5.829 11.609 1.00 0.00 C ATOM 1732 O VAL A 109 -1.276 6.515 12.091 1.00 0.00 O ATOM 1733 CB VAL A 109 -2.245 7.544 9.798 1.00 0.00 C ATOM 1734 CG1 VAL A 109 -0.734 7.492 9.623 1.00 0.00 C ATOM 1735 CG2 VAL A 109 -2.923 7.981 8.508 1.00 0.00 C ATOM 0 H VAL A 109 -4.687 5.484 9.710 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.496 5.419 9.525 1.00 0.00 H new ATOM 0 HB VAL A 109 -2.473 8.279 10.569 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.371 8.468 9.300 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.267 7.227 10.571 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.480 6.744 8.872 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.530 8.950 8.200 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.728 7.246 7.727 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.998 8.061 8.671 1.00 0.00 H new ATOM 1745 N ARG A 110 -2.677 4.759 12.219 1.00 0.00 N ATOM 1746 CA ARG A 110 -2.185 4.321 13.519 1.00 0.00 C ATOM 1747 C ARG A 110 -0.788 3.718 13.397 1.00 0.00 C ATOM 1748 O ARG A 110 0.177 4.245 13.950 1.00 0.00 O ATOM 1749 CB ARG A 110 -3.142 3.297 14.132 1.00 0.00 C ATOM 1750 CG ARG A 110 -4.544 3.836 14.363 1.00 0.00 C ATOM 1751 CD ARG A 110 -4.689 4.436 15.752 1.00 0.00 C ATOM 1752 NE ARG A 110 -4.348 3.477 16.801 1.00 0.00 N ATOM 1753 CZ ARG A 110 -4.447 3.742 18.099 1.00 0.00 C ATOM 1754 NH1 ARG A 110 -4.874 4.929 18.506 1.00 0.00 N ATOM 1755 NH2 ARG A 110 -4.118 2.818 18.992 1.00 0.00 N ATOM 0 H ARG A 110 -3.423 4.180 11.833 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.130 5.193 14.171 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -3.199 2.428 13.476 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.733 2.953 15.082 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.772 4.593 13.613 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.269 3.032 14.235 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -4.045 5.311 15.838 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -5.714 4.779 15.894 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.016 2.554 16.521 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -5.128 5.642 17.822 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -4.949 5.130 19.503 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.789 1.904 18.682 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -4.194 3.022 19.989 1.00 0.00 H new ATOM 1769 N ASP A 111 -0.689 2.611 12.669 1.00 0.00 N ATOM 1770 CA ASP A 111 0.589 1.936 12.473 1.00 0.00 C ATOM 1771 C ASP A 111 0.828 1.643 10.996 1.00 0.00 C ATOM 1772 O ASP A 111 0.293 0.678 10.449 1.00 0.00 O ATOM 1773 CB ASP A 111 0.631 0.636 13.277 1.00 0.00 C ATOM 1774 CG ASP A 111 2.046 0.219 13.629 1.00 0.00 C ATOM 1775 OD1 ASP A 111 2.952 0.431 12.796 1.00 0.00 O ATOM 1776 OD2 ASP A 111 2.248 -0.318 14.738 1.00 0.00 O ATOM 0 H ASP A 111 -1.478 2.162 12.205 1.00 0.00 H new ATOM 0 HA ASP A 111 1.380 2.598 12.826 1.00 0.00 H new ATOM 0 HB2 ASP A 111 0.053 0.760 14.193 1.00 0.00 H new ATOM 0 HB3 ASP A 111 0.153 -0.158 12.703 1.00 0.00 H new ATOM 1781 N PHE A 112 1.633 2.483 10.354 1.00 0.00 N ATOM 1782 CA PHE A 112 1.941 2.316 8.938 1.00 0.00 C ATOM 1783 C PHE A 112 2.801 1.076 8.712 1.00 0.00 C ATOM 1784 O PHE A 112 2.570 0.308 7.779 1.00 0.00 O ATOM 1785 CB PHE A 112 2.661 3.554 8.401 1.00 0.00 C ATOM 1786 CG PHE A 112 2.761 3.588 6.903 1.00 0.00 C ATOM 1787 CD1 PHE A 112 1.618 3.595 6.120 1.00 0.00 C ATOM 1788 CD2 PHE A 112 3.997 3.612 6.278 1.00 0.00 C ATOM 1789 CE1 PHE A 112 1.706 3.625 4.741 1.00 0.00 C ATOM 1790 CE2 PHE A 112 4.092 3.642 4.899 1.00 0.00 C ATOM 1791 CZ PHE A 112 2.945 3.650 4.130 1.00 0.00 C ATOM 0 H PHE A 112 2.084 3.286 10.792 1.00 0.00 H new ATOM 0 HA PHE A 112 1.002 2.189 8.400 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.136 4.446 8.742 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.664 3.593 8.825 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.647 3.577 6.593 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.897 3.607 6.875 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.807 3.629 4.142 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.062 3.659 4.424 1.00 0.00 H new ATOM 0 HZ PHE A 112 3.016 3.676 3.053 1.00 0.00 H new ATOM 1801 N GLY A 113 3.796 0.887 9.574 1.00 0.00 N ATOM 1802 CA GLY A 113 4.676 -0.260 9.452 1.00 0.00 C ATOM 1803 C GLY A 113 3.922 -1.540 9.149 1.00 0.00 C ATOM 1804 O GLY A 113 4.429 -2.419 8.452 1.00 0.00 O ATOM 0 H GLY A 113 4.008 1.508 10.355 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.403 -0.074 8.661 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.238 -0.383 10.378 1.00 0.00 H new ATOM 1808 N LYS A 114 2.707 -1.647 9.675 1.00 0.00 N ATOM 1809 CA LYS A 114 1.880 -2.829 9.459 1.00 0.00 C ATOM 1810 C LYS A 114 1.468 -2.944 7.995 1.00 0.00 C ATOM 1811 O LYS A 114 1.404 -4.042 7.441 1.00 0.00 O ATOM 1812 CB LYS A 114 0.635 -2.776 10.348 1.00 0.00 C ATOM 1813 CG LYS A 114 0.834 -3.416 11.711 1.00 0.00 C ATOM 1814 CD LYS A 114 -0.493 -3.668 12.407 1.00 0.00 C ATOM 1815 CE LYS A 114 -0.293 -4.302 13.775 1.00 0.00 C ATOM 1816 NZ LYS A 114 -1.422 -3.997 14.698 1.00 0.00 N ATOM 0 H LYS A 114 2.272 -0.929 10.255 1.00 0.00 H new ATOM 0 HA LYS A 114 2.469 -3.707 9.723 1.00 0.00 H new ATOM 0 HB2 LYS A 114 0.340 -1.736 10.484 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.188 -3.277 9.837 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.371 -4.358 11.597 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.454 -2.769 12.331 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -1.032 -2.727 12.516 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -1.111 -4.320 11.789 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -0.196 -5.382 13.664 1.00 0.00 H new ATOM 0 HE3 LYS A 114 0.639 -3.941 14.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.248 -4.447 15.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.499 -2.968 14.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -2.308 -4.364 14.296 1.00 0.00 H new ATOM 1830 N VAL A 115 1.190 -1.803 7.372 1.00 0.00 N ATOM 1831 CA VAL A 115 0.786 -1.775 5.971 1.00 0.00 C ATOM 1832 C VAL A 115 1.971 -2.054 5.052 1.00 0.00 C ATOM 1833 O VAL A 115 1.832 -2.729 4.032 1.00 0.00 O ATOM 1834 CB VAL A 115 0.165 -0.417 5.593 1.00 0.00 C ATOM 1835 CG1 VAL A 115 -0.351 -0.447 4.162 1.00 0.00 C ATOM 1836 CG2 VAL A 115 -0.948 -0.052 6.563 1.00 0.00 C ATOM 0 H VAL A 115 1.237 -0.886 7.816 1.00 0.00 H new ATOM 0 HA VAL A 115 0.037 -2.557 5.841 1.00 0.00 H new ATOM 0 HB VAL A 115 0.938 0.349 5.659 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.786 0.520 3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 115 0.474 -0.660 3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.111 -1.223 4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.375 0.910 6.281 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.724 -0.817 6.531 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.544 0.013 7.573 1.00 0.00 H new ATOM 1846 N ILE A 116 3.135 -1.530 5.421 1.00 0.00 N ATOM 1847 CA ILE A 116 4.344 -1.724 4.631 1.00 0.00 C ATOM 1848 C ILE A 116 4.720 -3.199 4.554 1.00 0.00 C ATOM 1849 O ILE A 116 5.032 -3.715 3.482 1.00 0.00 O ATOM 1850 CB ILE A 116 5.530 -0.933 5.214 1.00 0.00 C ATOM 1851 CG1 ILE A 116 5.162 0.544 5.365 1.00 0.00 C ATOM 1852 CG2 ILE A 116 6.758 -1.091 4.329 1.00 0.00 C ATOM 1853 CD1 ILE A 116 6.259 1.380 5.986 1.00 0.00 C ATOM 0 H ILE A 116 3.266 -0.968 6.262 1.00 0.00 H new ATOM 0 HA ILE A 116 4.129 -1.354 3.629 1.00 0.00 H new ATOM 0 HB ILE A 116 5.763 -1.332 6.201 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.917 0.951 4.384 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.264 0.625 5.977 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.588 -0.526 4.754 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.030 -2.145 4.268 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.537 -0.715 3.330 1.00 0.00 H new ATOM 0 HD11 ILE A 116 5.928 2.416 6.062 1.00 0.00 H new ATOM 0 HD12 ILE A 116 6.488 0.998 6.981 1.00 0.00 H new ATOM 0 HD13 ILE A 116 7.152 1.329 5.363 1.00 0.00 H new ATOM 1865 N GLU A 117 4.685 -3.874 5.699 1.00 0.00 N ATOM 1866 CA GLU A 117 5.021 -5.291 5.761 1.00 0.00 C ATOM 1867 C GLU A 117 4.227 -6.084 4.727 1.00 0.00 C ATOM 1868 O GLU A 117 4.799 -6.772 3.880 1.00 0.00 O ATOM 1869 CB GLU A 117 4.749 -5.843 7.162 1.00 0.00 C ATOM 1870 CG GLU A 117 5.324 -7.230 7.393 1.00 0.00 C ATOM 1871 CD GLU A 117 6.799 -7.314 7.050 1.00 0.00 C ATOM 1872 OE1 GLU A 117 7.630 -6.941 7.904 1.00 0.00 O ATOM 1873 OE2 GLU A 117 7.122 -7.755 5.927 1.00 0.00 O ATOM 0 H GLU A 117 4.427 -3.462 6.596 1.00 0.00 H new ATOM 0 HA GLU A 117 6.083 -5.396 5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.167 -5.158 7.900 1.00 0.00 H new ATOM 0 HB3 GLU A 117 3.672 -5.873 7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 117 5.181 -7.509 8.437 1.00 0.00 H new ATOM 0 HG3 GLU A 117 4.773 -7.953 6.791 1.00 0.00 H new ATOM 1880 N THR A 118 2.903 -5.984 4.803 1.00 0.00 N ATOM 1881 CA THR A 118 2.029 -6.693 3.877 1.00 0.00 C ATOM 1882 C THR A 118 2.637 -6.748 2.480 1.00 0.00 C ATOM 1883 O THR A 118 2.679 -7.807 1.852 1.00 0.00 O ATOM 1884 CB THR A 118 0.642 -6.028 3.794 1.00 0.00 C ATOM 1885 OG1 THR A 118 0.060 -5.943 5.100 1.00 0.00 O ATOM 1886 CG2 THR A 118 -0.280 -6.813 2.873 1.00 0.00 C ATOM 0 H THR A 118 2.413 -5.419 5.496 1.00 0.00 H new ATOM 0 HA THR A 118 1.916 -7.707 4.262 1.00 0.00 H new ATOM 0 HB THR A 118 0.768 -5.025 3.387 1.00 0.00 H new ATOM 0 HG1 THR A 118 0.108 -6.819 5.537 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.253 -6.325 2.830 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.151 -6.851 1.873 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.399 -7.827 3.255 1.00 0.00 H new ATOM 1894 N LEU A 119 3.108 -5.603 1.999 1.00 0.00 N ATOM 1895 CA LEU A 119 3.716 -5.522 0.676 1.00 0.00 C ATOM 1896 C LEU A 119 5.038 -6.282 0.635 1.00 0.00 C ATOM 1897 O LEU A 119 5.275 -7.087 -0.266 1.00 0.00 O ATOM 1898 CB LEU A 119 3.944 -4.060 0.287 1.00 0.00 C ATOM 1899 CG LEU A 119 2.799 -3.096 0.599 1.00 0.00 C ATOM 1900 CD1 LEU A 119 3.239 -1.656 0.384 1.00 0.00 C ATOM 1901 CD2 LEU A 119 1.583 -3.417 -0.258 1.00 0.00 C ATOM 0 H LEU A 119 3.081 -4.718 2.505 1.00 0.00 H new ATOM 0 HA LEU A 119 3.033 -5.981 -0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.840 -3.705 0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.147 -4.017 -0.783 1.00 0.00 H new ATOM 0 HG LEU A 119 2.523 -3.217 1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.411 -0.985 0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 119 4.079 -1.430 1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 119 3.543 -1.519 -0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 119 0.778 -2.721 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 119 1.846 -3.325 -1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 119 1.253 -4.436 -0.054 1.00 0.00 H new ATOM 1913 N SER A 120 5.894 -6.024 1.619 1.00 0.00 N ATOM 1914 CA SER A 120 7.192 -6.683 1.695 1.00 0.00 C ATOM 1915 C SER A 120 7.065 -8.171 1.384 1.00 0.00 C ATOM 1916 O SER A 120 7.885 -8.737 0.661 1.00 0.00 O ATOM 1917 CB SER A 120 7.804 -6.491 3.084 1.00 0.00 C ATOM 1918 OG SER A 120 8.154 -5.136 3.305 1.00 0.00 O ATOM 0 H SER A 120 5.712 -5.363 2.374 1.00 0.00 H new ATOM 0 HA SER A 120 7.847 -6.229 0.951 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.094 -6.815 3.845 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.689 -7.119 3.185 1.00 0.00 H new ATOM 0 HG SER A 120 8.517 -4.753 2.479 1.00 0.00 H new ATOM 1924 N ARG A 121 6.031 -8.798 1.936 1.00 0.00 N ATOM 1925 CA ARG A 121 5.796 -10.221 1.719 1.00 0.00 C ATOM 1926 C ARG A 121 5.052 -10.455 0.407 1.00 0.00 C ATOM 1927 O ARG A 121 5.415 -11.333 -0.377 1.00 0.00 O ATOM 1928 CB ARG A 121 4.999 -10.811 2.883 1.00 0.00 C ATOM 1929 CG ARG A 121 3.671 -10.113 3.128 1.00 0.00 C ATOM 1930 CD ARG A 121 2.972 -10.662 4.362 1.00 0.00 C ATOM 1931 NE ARG A 121 3.774 -10.483 5.569 1.00 0.00 N ATOM 1932 CZ ARG A 121 4.718 -11.333 5.957 1.00 0.00 C ATOM 1933 NH1 ARG A 121 4.978 -12.415 5.236 1.00 0.00 N ATOM 1934 NH2 ARG A 121 5.405 -11.102 7.069 1.00 0.00 N ATOM 0 H ARG A 121 5.343 -8.343 2.536 1.00 0.00 H new ATOM 0 HA ARG A 121 6.764 -10.719 1.661 1.00 0.00 H new ATOM 0 HB2 ARG A 121 4.814 -11.867 2.687 1.00 0.00 H new ATOM 0 HB3 ARG A 121 5.601 -10.756 3.790 1.00 0.00 H new ATOM 0 HG2 ARG A 121 3.838 -9.043 3.249 1.00 0.00 H new ATOM 0 HG3 ARG A 121 3.027 -10.238 2.258 1.00 0.00 H new ATOM 0 HD2 ARG A 121 2.012 -10.162 4.487 1.00 0.00 H new ATOM 0 HD3 ARG A 121 2.763 -11.722 4.219 1.00 0.00 H new ATOM 0 HE ARG A 121 3.600 -9.660 6.146 1.00 0.00 H new ATOM 0 HH11 ARG A 121 4.452 -12.596 4.381 1.00 0.00 H new ATOM 0 HH12 ARG A 121 5.704 -13.066 5.537 1.00 0.00 H new ATOM 0 HH21 ARG A 121 5.208 -10.271 7.627 1.00 0.00 H new ATOM 0 HH22 ARG A 121 6.130 -11.756 7.366 1.00 0.00 H new ATOM 1948 N LEU A 122 4.009 -9.665 0.176 1.00 0.00 N ATOM 1949 CA LEU A 122 3.213 -9.787 -1.040 1.00 0.00 C ATOM 1950 C LEU A 122 4.103 -10.047 -2.251 1.00 0.00 C ATOM 1951 O LEU A 122 3.808 -10.910 -3.077 1.00 0.00 O ATOM 1952 CB LEU A 122 2.388 -8.517 -1.262 1.00 0.00 C ATOM 1953 CG LEU A 122 1.769 -8.353 -2.650 1.00 0.00 C ATOM 1954 CD1 LEU A 122 0.586 -9.293 -2.822 1.00 0.00 C ATOM 1955 CD2 LEU A 122 1.343 -6.910 -2.877 1.00 0.00 C ATOM 0 H LEU A 122 3.695 -8.934 0.814 1.00 0.00 H new ATOM 0 HA LEU A 122 2.539 -10.635 -0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 122 1.586 -8.495 -0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 122 3.026 -7.655 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 122 2.522 -8.610 -3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 122 0.159 -9.162 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 122 0.920 -10.324 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -0.170 -9.068 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.905 -6.812 -3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.606 -6.626 -2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 122 2.212 -6.257 -2.798 1.00 0.00 H new ATOM 1967 N SER A 123 5.195 -9.295 -2.348 1.00 0.00 N ATOM 1968 CA SER A 123 6.128 -9.443 -3.459 1.00 0.00 C ATOM 1969 C SER A 123 6.412 -10.916 -3.738 1.00 0.00 C ATOM 1970 O SER A 123 6.445 -11.345 -4.891 1.00 0.00 O ATOM 1971 CB SER A 123 7.436 -8.708 -3.155 1.00 0.00 C ATOM 1972 OG SER A 123 8.062 -9.239 -2.000 1.00 0.00 O ATOM 0 H SER A 123 5.455 -8.578 -1.671 1.00 0.00 H new ATOM 0 HA SER A 123 5.671 -9.005 -4.346 1.00 0.00 H new ATOM 0 HB2 SER A 123 8.110 -8.790 -4.008 1.00 0.00 H new ATOM 0 HB3 SER A 123 7.235 -7.647 -3.008 1.00 0.00 H new ATOM 0 HG SER A 123 7.710 -8.792 -1.202 1.00 0.00 H new ATOM 1978 N ARG A 124 6.616 -11.684 -2.673 1.00 0.00 N ATOM 1979 CA ARG A 124 6.898 -13.109 -2.802 1.00 0.00 C ATOM 1980 C ARG A 124 6.004 -13.746 -3.861 1.00 0.00 C ATOM 1981 O ARG A 124 6.440 -14.616 -4.616 1.00 0.00 O ATOM 1982 CB ARG A 124 6.698 -13.813 -1.459 1.00 0.00 C ATOM 1983 CG ARG A 124 5.239 -13.949 -1.054 1.00 0.00 C ATOM 1984 CD ARG A 124 4.635 -15.245 -1.574 1.00 0.00 C ATOM 1985 NE ARG A 124 3.361 -15.551 -0.930 1.00 0.00 N ATOM 1986 CZ ARG A 124 3.259 -16.087 0.281 1.00 0.00 C ATOM 1987 NH1 ARG A 124 4.350 -16.374 0.976 1.00 0.00 N ATOM 1988 NH2 ARG A 124 2.063 -16.337 0.799 1.00 0.00 N ATOM 0 H ARG A 124 6.591 -11.344 -1.712 1.00 0.00 H new ATOM 0 HA ARG A 124 7.937 -13.222 -3.113 1.00 0.00 H new ATOM 0 HB2 ARG A 124 7.147 -14.805 -1.508 1.00 0.00 H new ATOM 0 HB3 ARG A 124 7.231 -13.260 -0.686 1.00 0.00 H new ATOM 0 HG2 ARG A 124 5.157 -13.918 0.033 1.00 0.00 H new ATOM 0 HG3 ARG A 124 4.673 -13.102 -1.440 1.00 0.00 H new ATOM 0 HD2 ARG A 124 4.488 -15.170 -2.651 1.00 0.00 H new ATOM 0 HD3 ARG A 124 5.333 -16.064 -1.404 1.00 0.00 H new ATOM 0 HE ARG A 124 2.502 -15.342 -1.438 1.00 0.00 H new ATOM 0 HH11 ARG A 124 5.271 -16.183 0.581 1.00 0.00 H new ATOM 0 HH12 ARG A 124 4.269 -16.786 1.906 1.00 0.00 H new ATOM 0 HH21 ARG A 124 1.221 -16.118 0.267 1.00 0.00 H new ATOM 0 HH22 ARG A 124 1.986 -16.749 1.729 1.00 0.00 H new ATOM 2002 N THR A 125 4.750 -13.308 -3.911 1.00 0.00 N ATOM 2003 CA THR A 125 3.794 -13.837 -4.876 1.00 0.00 C ATOM 2004 C THR A 125 4.416 -13.946 -6.263 1.00 0.00 C ATOM 2005 O THR A 125 5.287 -13.163 -6.643 1.00 0.00 O ATOM 2006 CB THR A 125 2.533 -12.955 -4.959 1.00 0.00 C ATOM 2007 OG1 THR A 125 2.872 -11.663 -5.474 1.00 0.00 O ATOM 2008 CG2 THR A 125 1.886 -12.807 -3.590 1.00 0.00 C ATOM 0 H THR A 125 4.373 -12.588 -3.295 1.00 0.00 H new ATOM 0 HA THR A 125 3.511 -14.831 -4.529 1.00 0.00 H new ATOM 0 HB THR A 125 1.822 -13.438 -5.630 1.00 0.00 H new ATOM 0 HG1 THR A 125 3.282 -11.125 -4.765 1.00 0.00 H new ATOM 0 HG21 THR A 125 0.998 -12.180 -3.673 1.00 0.00 H new ATOM 0 HG22 THR A 125 1.603 -13.790 -3.213 1.00 0.00 H new ATOM 0 HG23 THR A 125 2.593 -12.344 -2.901 1.00 0.00 H new ATOM 2016 N PRO A 126 3.959 -14.938 -7.042 1.00 0.00 N ATOM 2017 CA PRO A 126 4.457 -15.172 -8.400 1.00 0.00 C ATOM 2018 C PRO A 126 4.024 -14.079 -9.372 1.00 0.00 C ATOM 2019 O PRO A 126 4.333 -14.137 -10.563 1.00 0.00 O ATOM 2020 CB PRO A 126 3.824 -16.511 -8.785 1.00 0.00 C ATOM 2021 CG PRO A 126 2.595 -16.603 -7.948 1.00 0.00 C ATOM 2022 CD PRO A 126 2.922 -15.909 -6.655 1.00 0.00 C ATOM 0 HA PRO A 126 5.546 -15.173 -8.440 1.00 0.00 H new ATOM 0 HB2 PRO A 126 3.583 -16.544 -9.847 1.00 0.00 H new ATOM 0 HB3 PRO A 126 4.502 -17.341 -8.586 1.00 0.00 H new ATOM 0 HG2 PRO A 126 1.749 -16.127 -8.443 1.00 0.00 H new ATOM 0 HG3 PRO A 126 2.318 -17.643 -7.774 1.00 0.00 H new ATOM 0 HD2 PRO A 126 2.047 -15.415 -6.231 1.00 0.00 H new ATOM 0 HD3 PRO A 126 3.288 -16.610 -5.904 1.00 0.00 H new ATOM 2030 N ILE A 127 3.308 -13.086 -8.857 1.00 0.00 N ATOM 2031 CA ILE A 127 2.835 -11.980 -9.680 1.00 0.00 C ATOM 2032 C ILE A 127 3.790 -10.793 -9.608 1.00 0.00 C ATOM 2033 O ILE A 127 4.177 -10.232 -10.633 1.00 0.00 O ATOM 2034 CB ILE A 127 1.429 -11.519 -9.250 1.00 0.00 C ATOM 2035 CG1 ILE A 127 0.443 -12.687 -9.318 1.00 0.00 C ATOM 2036 CG2 ILE A 127 0.957 -10.369 -10.126 1.00 0.00 C ATOM 2037 CD1 ILE A 127 0.353 -13.478 -8.032 1.00 0.00 C ATOM 0 H ILE A 127 3.043 -13.024 -7.874 1.00 0.00 H new ATOM 0 HA ILE A 127 2.791 -12.347 -10.706 1.00 0.00 H new ATOM 0 HB ILE A 127 1.477 -11.168 -8.219 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -0.546 -12.303 -9.569 1.00 0.00 H new ATOM 0 HG13 ILE A 127 0.740 -13.356 -10.126 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.038 -10.055 -9.809 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.649 -9.532 -10.032 1.00 0.00 H new ATOM 0 HG23 ILE A 127 0.921 -10.695 -11.166 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -0.364 -14.290 -8.153 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.332 -13.892 -7.790 1.00 0.00 H new ATOM 0 HD13 ILE A 127 0.027 -12.823 -7.224 1.00 0.00 H new ATOM 2049 N ALA A 128 4.168 -10.417 -8.391 1.00 0.00 N ATOM 2050 CA ALA A 128 5.081 -9.300 -8.185 1.00 0.00 C ATOM 2051 C ALA A 128 6.431 -9.566 -8.843 1.00 0.00 C ATOM 2052 O ALA A 128 6.972 -8.709 -9.543 1.00 0.00 O ATOM 2053 CB ALA A 128 5.260 -9.031 -6.698 1.00 0.00 C ATOM 0 H ALA A 128 3.856 -10.870 -7.532 1.00 0.00 H new ATOM 0 HA ALA A 128 4.646 -8.417 -8.653 1.00 0.00 H new ATOM 0 HB1 ALA A 128 5.945 -8.194 -6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 128 4.295 -8.788 -6.253 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.669 -9.918 -6.214 1.00 0.00 H new ATOM 2059 N LEU A 129 6.971 -10.758 -8.612 1.00 0.00 N ATOM 2060 CA LEU A 129 8.259 -11.137 -9.182 1.00 0.00 C ATOM 2061 C LEU A 129 8.160 -11.293 -10.696 1.00 0.00 C ATOM 2062 O LEU A 129 9.092 -10.956 -11.427 1.00 0.00 O ATOM 2063 CB LEU A 129 8.753 -12.442 -8.555 1.00 0.00 C ATOM 2064 CG LEU A 129 8.693 -12.518 -7.029 1.00 0.00 C ATOM 2065 CD1 LEU A 129 9.196 -13.867 -6.541 1.00 0.00 C ATOM 2066 CD2 LEU A 129 9.500 -11.388 -6.406 1.00 0.00 C ATOM 0 H LEU A 129 6.537 -11.478 -8.034 1.00 0.00 H new ATOM 0 HA LEU A 129 8.973 -10.343 -8.963 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.164 -13.264 -8.963 1.00 0.00 H new ATOM 0 HB3 LEU A 129 9.785 -12.604 -8.867 1.00 0.00 H new ATOM 0 HG LEU A 129 7.654 -12.408 -6.720 1.00 0.00 H new ATOM 0 HD11 LEU A 129 9.146 -13.902 -5.453 1.00 0.00 H new ATOM 0 HD12 LEU A 129 8.575 -14.660 -6.959 1.00 0.00 H new ATOM 0 HD13 LEU A 129 10.228 -14.008 -6.861 1.00 0.00 H new ATOM 0 HD21 LEU A 129 9.446 -11.458 -5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.540 -11.466 -6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 129 9.093 -10.430 -6.728 1.00 0.00 H new ATOM 2078 N ALA A 130 7.025 -11.804 -11.160 1.00 0.00 N ATOM 2079 CA ALA A 130 6.802 -12.000 -12.587 1.00 0.00 C ATOM 2080 C ALA A 130 7.226 -10.770 -13.383 1.00 0.00 C ATOM 2081 O ALA A 130 7.951 -10.877 -14.373 1.00 0.00 O ATOM 2082 CB ALA A 130 5.340 -12.325 -12.854 1.00 0.00 C ATOM 0 H ALA A 130 6.245 -12.090 -10.568 1.00 0.00 H new ATOM 0 HA ALA A 130 7.415 -12.841 -12.913 1.00 0.00 H new ATOM 0 HB1 ALA A 130 5.189 -12.469 -13.924 1.00 0.00 H new ATOM 0 HB2 ALA A 130 5.067 -13.237 -12.323 1.00 0.00 H new ATOM 0 HB3 ALA A 130 4.715 -11.502 -12.506 1.00 0.00 H new ATOM 2088 N THR A 131 6.768 -9.601 -12.946 1.00 0.00 N ATOM 2089 CA THR A 131 7.098 -8.351 -13.619 1.00 0.00 C ATOM 2090 C THR A 131 8.607 -8.154 -13.704 1.00 0.00 C ATOM 2091 O THR A 131 9.121 -7.637 -14.695 1.00 0.00 O ATOM 2092 CB THR A 131 6.474 -7.142 -12.896 1.00 0.00 C ATOM 2093 OG1 THR A 131 7.096 -6.960 -11.620 1.00 0.00 O ATOM 2094 CG2 THR A 131 4.976 -7.336 -12.713 1.00 0.00 C ATOM 0 H THR A 131 6.167 -9.494 -12.129 1.00 0.00 H new ATOM 0 HA THR A 131 6.685 -8.416 -14.626 1.00 0.00 H new ATOM 0 HB THR A 131 6.638 -6.255 -13.509 1.00 0.00 H new ATOM 0 HG1 THR A 131 6.860 -7.707 -11.032 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.557 -6.470 -12.200 1.00 0.00 H new ATOM 0 HG22 THR A 131 4.501 -7.445 -13.688 1.00 0.00 H new ATOM 0 HG23 THR A 131 4.795 -8.232 -12.119 1.00 0.00 H new ATOM 2102 N GLY A 132 9.314 -8.572 -12.658 1.00 0.00 N ATOM 2103 CA GLY A 132 10.758 -8.433 -12.635 1.00 0.00 C ATOM 2104 C GLY A 132 11.211 -7.208 -11.865 1.00 0.00 C ATOM 2105 O GLY A 132 12.315 -6.707 -12.077 1.00 0.00 O ATOM 0 H GLY A 132 8.912 -9.004 -11.826 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.198 -9.324 -12.187 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.130 -8.374 -13.658 1.00 0.00 H new ATOM 2109 N ILE A 133 10.356 -6.725 -10.969 1.00 0.00 N ATOM 2110 CA ILE A 133 10.675 -5.552 -10.166 1.00 0.00 C ATOM 2111 C ILE A 133 11.546 -5.924 -8.971 1.00 0.00 C ATOM 2112 O ILE A 133 11.401 -7.003 -8.396 1.00 0.00 O ATOM 2113 CB ILE A 133 9.399 -4.853 -9.659 1.00 0.00 C ATOM 2114 CG1 ILE A 133 8.544 -4.386 -10.839 1.00 0.00 C ATOM 2115 CG2 ILE A 133 9.759 -3.679 -8.762 1.00 0.00 C ATOM 2116 CD1 ILE A 133 7.109 -4.087 -10.465 1.00 0.00 C ATOM 0 H ILE A 133 9.438 -7.128 -10.782 1.00 0.00 H new ATOM 0 HA ILE A 133 11.223 -4.867 -10.813 1.00 0.00 H new ATOM 0 HB ILE A 133 8.819 -5.567 -9.074 1.00 0.00 H new ATOM 0 HG12 ILE A 133 8.992 -3.491 -11.270 1.00 0.00 H new ATOM 0 HG13 ILE A 133 8.557 -5.154 -11.613 1.00 0.00 H new ATOM 0 HG21 ILE A 133 8.847 -3.196 -8.412 1.00 0.00 H new ATOM 0 HG22 ILE A 133 10.331 -4.037 -7.906 1.00 0.00 H new ATOM 0 HG23 ILE A 133 10.357 -2.962 -9.324 1.00 0.00 H new ATOM 0 HD11 ILE A 133 6.563 -3.762 -11.350 1.00 0.00 H new ATOM 0 HD12 ILE A 133 6.643 -4.986 -10.061 1.00 0.00 H new ATOM 0 HD13 ILE A 133 7.086 -3.298 -9.714 1.00 0.00 H new ATOM 2128 N ARG A 134 12.449 -5.022 -8.600 1.00 0.00 N ATOM 2129 CA ARG A 134 13.343 -5.255 -7.472 1.00 0.00 C ATOM 2130 C ARG A 134 12.567 -5.758 -6.258 1.00 0.00 C ATOM 2131 O ARG A 134 11.834 -5.013 -5.608 1.00 0.00 O ATOM 2132 CB ARG A 134 14.093 -3.970 -7.115 1.00 0.00 C ATOM 2133 CG ARG A 134 15.146 -3.576 -8.138 1.00 0.00 C ATOM 2134 CD ARG A 134 16.490 -4.218 -7.829 1.00 0.00 C ATOM 2135 NE ARG A 134 17.530 -3.784 -8.759 1.00 0.00 N ATOM 2136 CZ ARG A 134 17.582 -4.162 -10.031 1.00 0.00 C ATOM 2137 NH1 ARG A 134 16.657 -4.975 -10.523 1.00 0.00 N ATOM 2138 NH2 ARG A 134 18.559 -3.725 -10.815 1.00 0.00 N ATOM 0 H ARG A 134 12.581 -4.123 -9.064 1.00 0.00 H new ATOM 0 HA ARG A 134 14.063 -6.019 -7.763 1.00 0.00 H new ATOM 0 HB2 ARG A 134 13.375 -3.156 -7.013 1.00 0.00 H new ATOM 0 HB3 ARG A 134 14.571 -4.096 -6.144 1.00 0.00 H new ATOM 0 HG2 ARG A 134 14.818 -3.876 -9.133 1.00 0.00 H new ATOM 0 HG3 ARG A 134 15.254 -2.491 -8.152 1.00 0.00 H new ATOM 0 HD2 ARG A 134 16.786 -3.967 -6.811 1.00 0.00 H new ATOM 0 HD3 ARG A 134 16.393 -5.303 -7.874 1.00 0.00 H new ATOM 0 HE ARG A 134 18.256 -3.157 -8.412 1.00 0.00 H new ATOM 0 HH11 ARG A 134 15.903 -5.312 -9.924 1.00 0.00 H new ATOM 0 HH12 ARG A 134 16.699 -5.264 -11.500 1.00 0.00 H new ATOM 0 HH21 ARG A 134 19.271 -3.098 -10.441 1.00 0.00 H new ATOM 0 HH22 ARG A 134 18.598 -4.016 -11.792 1.00 0.00 H new ATOM 2152 N PRO A 135 12.732 -7.052 -5.945 1.00 0.00 N ATOM 2153 CA PRO A 135 12.056 -7.683 -4.808 1.00 0.00 C ATOM 2154 C PRO A 135 12.591 -7.189 -3.468 1.00 0.00 C ATOM 2155 O PRO A 135 13.794 -6.983 -3.307 1.00 0.00 O ATOM 2156 CB PRO A 135 12.366 -9.170 -4.992 1.00 0.00 C ATOM 2157 CG PRO A 135 13.634 -9.199 -5.774 1.00 0.00 C ATOM 2158 CD PRO A 135 13.591 -7.997 -6.677 1.00 0.00 C ATOM 0 HA PRO A 135 10.990 -7.455 -4.790 1.00 0.00 H new ATOM 0 HB2 PRO A 135 12.482 -9.672 -4.031 1.00 0.00 H new ATOM 0 HB3 PRO A 135 11.562 -9.679 -5.523 1.00 0.00 H new ATOM 0 HG2 PRO A 135 14.501 -9.160 -5.114 1.00 0.00 H new ATOM 0 HG3 PRO A 135 13.715 -10.119 -6.353 1.00 0.00 H new ATOM 0 HD2 PRO A 135 14.586 -7.586 -6.847 1.00 0.00 H new ATOM 0 HD3 PRO A 135 13.176 -8.243 -7.654 1.00 0.00 H new ATOM 2166 N PHE A 136 11.690 -7.003 -2.509 1.00 0.00 N ATOM 2167 CA PHE A 136 12.073 -6.533 -1.183 1.00 0.00 C ATOM 2168 C PHE A 136 13.315 -7.265 -0.683 1.00 0.00 C ATOM 2169 O PHE A 136 13.601 -8.395 -1.078 1.00 0.00 O ATOM 2170 CB PHE A 136 10.920 -6.730 -0.196 1.00 0.00 C ATOM 2171 CG PHE A 136 9.860 -5.670 -0.292 1.00 0.00 C ATOM 2172 CD1 PHE A 136 8.787 -5.820 -1.155 1.00 0.00 C ATOM 2173 CD2 PHE A 136 9.939 -4.522 0.480 1.00 0.00 C ATOM 2174 CE1 PHE A 136 7.810 -4.847 -1.246 1.00 0.00 C ATOM 2175 CE2 PHE A 136 8.965 -3.545 0.394 1.00 0.00 C ATOM 2176 CZ PHE A 136 7.900 -3.707 -0.471 1.00 0.00 C ATOM 0 H PHE A 136 10.691 -7.170 -2.625 1.00 0.00 H new ATOM 0 HA PHE A 136 12.304 -5.470 -1.255 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.465 -7.705 -0.372 1.00 0.00 H new ATOM 0 HB3 PHE A 136 11.319 -6.743 0.818 1.00 0.00 H new ATOM 0 HD1 PHE A 136 8.713 -6.709 -1.764 1.00 0.00 H new ATOM 0 HD2 PHE A 136 10.771 -4.389 1.156 1.00 0.00 H new ATOM 0 HE1 PHE A 136 6.978 -4.978 -1.922 1.00 0.00 H new ATOM 0 HE2 PHE A 136 9.036 -2.656 1.003 1.00 0.00 H new ATOM 0 HZ PHE A 136 7.139 -2.944 -0.541 1.00 0.00 H new ATOM 2186 N PRO A 137 14.072 -6.605 0.206 1.00 0.00 N ATOM 2187 CA PRO A 137 15.296 -7.173 0.779 1.00 0.00 C ATOM 2188 C PRO A 137 15.008 -8.327 1.733 1.00 0.00 C ATOM 2189 O PRO A 137 14.014 -8.313 2.458 1.00 0.00 O ATOM 2190 CB PRO A 137 15.914 -5.995 1.536 1.00 0.00 C ATOM 2191 CG PRO A 137 14.761 -5.108 1.861 1.00 0.00 C ATOM 2192 CD PRO A 137 13.792 -5.254 0.721 1.00 0.00 C ATOM 0 HA PRO A 137 15.947 -7.593 0.013 1.00 0.00 H new ATOM 0 HB2 PRO A 137 16.424 -6.329 2.440 1.00 0.00 H new ATOM 0 HB3 PRO A 137 16.653 -5.476 0.926 1.00 0.00 H new ATOM 0 HG2 PRO A 137 14.300 -5.398 2.805 1.00 0.00 H new ATOM 0 HG3 PRO A 137 15.084 -4.072 1.969 1.00 0.00 H new ATOM 0 HD2 PRO A 137 12.759 -5.158 1.057 1.00 0.00 H new ATOM 0 HD3 PRO A 137 13.951 -4.492 -0.042 1.00 0.00 H new ATOM 2200 N SER A 138 15.886 -9.326 1.728 1.00 0.00 N ATOM 2201 CA SER A 138 15.724 -10.490 2.591 1.00 0.00 C ATOM 2202 C SER A 138 16.969 -10.713 3.443 1.00 0.00 C ATOM 2203 O SER A 138 18.080 -10.811 2.924 1.00 0.00 O ATOM 2204 CB SER A 138 15.436 -11.737 1.752 1.00 0.00 C ATOM 2205 OG SER A 138 15.113 -12.843 2.577 1.00 0.00 O ATOM 0 H SER A 138 16.716 -9.352 1.136 1.00 0.00 H new ATOM 0 HA SER A 138 14.880 -10.304 3.255 1.00 0.00 H new ATOM 0 HB2 SER A 138 14.611 -11.536 1.068 1.00 0.00 H new ATOM 0 HB3 SER A 138 16.306 -11.977 1.141 1.00 0.00 H new ATOM 0 HG SER A 138 14.932 -13.627 2.017 1.00 0.00 H new ATOM 2211 N GLY A 139 16.775 -10.790 4.756 1.00 0.00 N ATOM 2212 CA GLY A 139 17.890 -11.000 5.660 1.00 0.00 C ATOM 2213 C GLY A 139 17.440 -11.302 7.076 1.00 0.00 C ATOM 2214 O GLY A 139 16.247 -11.341 7.376 1.00 0.00 O ATOM 0 H GLY A 139 15.865 -10.711 5.210 1.00 0.00 H new ATOM 0 HA2 GLY A 139 18.501 -11.824 5.293 1.00 0.00 H new ATOM 0 HA3 GLY A 139 18.522 -10.112 5.665 1.00 0.00 H new ATOM 2218 N PRO A 140 18.411 -11.522 7.975 1.00 0.00 N ATOM 2219 CA PRO A 140 18.132 -11.826 9.382 1.00 0.00 C ATOM 2220 C PRO A 140 17.572 -10.624 10.135 1.00 0.00 C ATOM 2221 O PRO A 140 18.315 -9.880 10.775 1.00 0.00 O ATOM 2222 CB PRO A 140 19.504 -12.215 9.939 1.00 0.00 C ATOM 2223 CG PRO A 140 20.482 -11.522 9.054 1.00 0.00 C ATOM 2224 CD PRO A 140 19.855 -11.490 7.688 1.00 0.00 C ATOM 0 HA PRO A 140 17.377 -12.605 9.489 1.00 0.00 H new ATOM 0 HB2 PRO A 140 19.615 -11.898 10.976 1.00 0.00 H new ATOM 0 HB3 PRO A 140 19.648 -13.295 9.919 1.00 0.00 H new ATOM 0 HG2 PRO A 140 20.687 -10.513 9.413 1.00 0.00 H new ATOM 0 HG3 PRO A 140 21.434 -12.052 9.034 1.00 0.00 H new ATOM 0 HD2 PRO A 140 20.136 -10.592 7.138 1.00 0.00 H new ATOM 0 HD3 PRO A 140 20.164 -12.343 7.084 1.00 0.00 H new ATOM 2232 N SER A 141 16.258 -10.442 10.055 1.00 0.00 N ATOM 2233 CA SER A 141 15.599 -9.328 10.727 1.00 0.00 C ATOM 2234 C SER A 141 14.988 -9.777 12.051 1.00 0.00 C ATOM 2235 O SER A 141 14.772 -10.968 12.275 1.00 0.00 O ATOM 2236 CB SER A 141 14.515 -8.731 9.827 1.00 0.00 C ATOM 2237 OG SER A 141 14.345 -7.348 10.082 1.00 0.00 O ATOM 0 H SER A 141 15.629 -11.051 9.532 1.00 0.00 H new ATOM 0 HA SER A 141 16.349 -8.565 10.934 1.00 0.00 H new ATOM 0 HB2 SER A 141 14.783 -8.881 8.781 1.00 0.00 H new ATOM 0 HB3 SER A 141 13.573 -9.253 9.992 1.00 0.00 H new ATOM 0 HG SER A 141 13.648 -6.990 9.493 1.00 0.00 H new ATOM 2243 N SER A 142 14.710 -8.814 12.924 1.00 0.00 N ATOM 2244 CA SER A 142 14.127 -9.109 14.228 1.00 0.00 C ATOM 2245 C SER A 142 12.934 -10.050 14.089 1.00 0.00 C ATOM 2246 O SER A 142 12.100 -9.886 13.199 1.00 0.00 O ATOM 2247 CB SER A 142 13.693 -7.816 14.920 1.00 0.00 C ATOM 2248 OG SER A 142 12.475 -7.333 14.382 1.00 0.00 O ATOM 0 H SER A 142 14.879 -7.823 12.752 1.00 0.00 H new ATOM 0 HA SER A 142 14.887 -9.601 14.836 1.00 0.00 H new ATOM 0 HB2 SER A 142 13.577 -7.994 15.989 1.00 0.00 H new ATOM 0 HB3 SER A 142 14.470 -7.060 14.805 1.00 0.00 H new ATOM 0 HG SER A 142 12.219 -6.507 14.843 1.00 0.00 H new ATOM 2254 N GLY A 143 12.861 -11.037 14.976 1.00 0.00 N ATOM 2255 CA GLY A 143 11.767 -11.991 14.936 1.00 0.00 C ATOM 2256 C GLY A 143 11.382 -12.489 16.315 1.00 0.00 C ATOM 2257 O GLY A 143 10.382 -12.051 16.884 1.00 0.00 O ATOM 0 H GLY A 143 13.539 -11.194 15.722 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.900 -11.526 14.466 1.00 0.00 H new ATOM 0 HA3 GLY A 143 12.051 -12.839 14.313 1.00 0.00 H new TER 2261 GLY A 143