USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 942 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 86 ASN : amide:sc= -2.3! C(o=-1.7!,f=-9.5!) USER MOD Set 1.2: A 109 TYR OH : rot -44:sc= 0.571 USER MOD Set 2.1: A 29 LYS NZ :NH3+ 148:sc= -2.63! (180deg=-3.28!) USER MOD Set 2.2: A 32 LYS NZ :NH3+ -177:sc= -0.065 (180deg=0.343) USER MOD Single : A 6 MET CE :methyl 149:sc= -0.151 (180deg=-1.47) USER MOD Single : A 8 MET CE :methyl -144:sc= -3.61! (180deg=-6.42!) USER MOD Single : A 15 GLN : amide:sc= -4.55! C(o=-4.5!,f=-11!) USER MOD Single : A 17 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.35) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.877 K(o=-0.88,f=-2.2!) USER MOD Single : A 20 THR OG1 : rot -34:sc= 0.313 USER MOD Single : A 25 LYS NZ :NH3+ -121:sc= -1.72 (180deg=-4.44!) USER MOD Single : A 28 ASN : amide:sc= -0.529 K(o=-0.53,f=-3.6!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -2.37 K(o=-2.4,f=-0.61) USER MOD Single : A 39 MET CE :methyl -157:sc= -0.758 (180deg=-2.64!) USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -10.3! C(o=-10!,f=-9.5!) USER MOD Single : A 61 HIS : no HE2:sc= -16! C(o=-16!,f=-22!) USER MOD Single : A 62 THR OG1 : rot -160:sc= -0.369 USER MOD Single : A 64 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00751) USER MOD Single : A 65 HIS : no HD1:sc= -8.74! C(o=-8.7!,f=-5.9!) USER MOD Single : A 66 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.15) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 142:sc= -10.1! (180deg=-11.9!) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0186 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= -2.07! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.68) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 MET CE :methyl 154:sc= -1.49 (180deg=-3.78!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 107.755 10.551 -13.867 1.00 0.00 N ATOM 2 CA PRO A 2 108.173 9.171 -14.167 1.00 0.00 C ATOM 3 C PRO A 2 107.071 8.183 -13.769 1.00 0.00 C ATOM 4 O PRO A 2 107.224 7.409 -12.847 1.00 0.00 O ATOM 5 CB PRO A 2 109.415 8.975 -13.296 1.00 0.00 C ATOM 6 CG PRO A 2 109.310 10.006 -12.147 1.00 0.00 C ATOM 7 CD PRO A 2 108.331 11.098 -12.621 1.00 0.00 C ATOM 0 HA PRO A 2 108.369 9.003 -15.226 1.00 0.00 H new ATOM 0 HB2 PRO A 2 109.458 7.959 -12.903 1.00 0.00 H new ATOM 0 HB3 PRO A 2 110.325 9.131 -13.876 1.00 0.00 H new ATOM 0 HG2 PRO A 2 108.949 9.533 -11.234 1.00 0.00 H new ATOM 0 HG3 PRO A 2 110.287 10.434 -11.920 1.00 0.00 H new ATOM 0 HD2 PRO A 2 107.559 11.291 -11.876 1.00 0.00 H new ATOM 0 HD3 PRO A 2 108.844 12.043 -12.800 1.00 0.00 H new ATOM 17 N VAL A 3 105.964 8.205 -14.458 1.00 0.00 N ATOM 18 CA VAL A 3 104.859 7.267 -14.115 1.00 0.00 C ATOM 19 C VAL A 3 104.287 6.663 -15.398 1.00 0.00 C ATOM 20 O VAL A 3 103.824 7.365 -16.274 1.00 0.00 O ATOM 21 CB VAL A 3 103.756 8.023 -13.372 1.00 0.00 C ATOM 22 CG1 VAL A 3 102.689 7.034 -12.900 1.00 0.00 C ATOM 23 CG2 VAL A 3 104.357 8.738 -12.161 1.00 0.00 C ATOM 0 H VAL A 3 105.777 8.830 -15.242 1.00 0.00 H new ATOM 0 HA VAL A 3 105.245 6.471 -13.478 1.00 0.00 H new ATOM 0 HB VAL A 3 103.303 8.755 -14.041 1.00 0.00 H new ATOM 0 HG11 VAL A 3 101.903 7.572 -12.370 1.00 0.00 H new ATOM 0 HG12 VAL A 3 102.261 6.522 -13.762 1.00 0.00 H new ATOM 0 HG13 VAL A 3 103.142 6.302 -12.231 1.00 0.00 H new ATOM 0 HG21 VAL A 3 103.572 9.277 -11.630 1.00 0.00 H new ATOM 0 HG22 VAL A 3 104.809 8.005 -11.493 1.00 0.00 H new ATOM 0 HG23 VAL A 3 105.119 9.442 -12.495 1.00 0.00 H new ATOM 33 N GLU A 4 104.314 5.363 -15.516 1.00 0.00 N ATOM 34 CA GLU A 4 103.769 4.718 -16.741 1.00 0.00 C ATOM 35 C GLU A 4 102.256 4.547 -16.589 1.00 0.00 C ATOM 36 O GLU A 4 101.603 5.318 -15.915 1.00 0.00 O ATOM 37 CB GLU A 4 104.431 3.351 -16.933 1.00 0.00 C ATOM 38 CG GLU A 4 105.952 3.513 -16.869 1.00 0.00 C ATOM 39 CD GLU A 4 106.625 2.174 -17.174 1.00 0.00 C ATOM 40 OE1 GLU A 4 105.910 1.209 -17.389 1.00 0.00 O ATOM 41 OE2 GLU A 4 107.845 2.137 -17.187 1.00 0.00 O ATOM 0 H GLU A 4 104.690 4.722 -14.817 1.00 0.00 H new ATOM 0 HA GLU A 4 103.976 5.341 -17.611 1.00 0.00 H new ATOM 0 HB2 GLU A 4 104.094 2.659 -16.161 1.00 0.00 H new ATOM 0 HB3 GLU A 4 104.139 2.924 -17.893 1.00 0.00 H new ATOM 0 HG2 GLU A 4 106.278 4.267 -17.586 1.00 0.00 H new ATOM 0 HG3 GLU A 4 106.249 3.864 -15.881 1.00 0.00 H new ATOM 48 N ARG A 5 101.691 3.549 -17.212 1.00 0.00 N ATOM 49 CA ARG A 5 100.220 3.345 -17.099 1.00 0.00 C ATOM 50 C ARG A 5 99.936 2.009 -16.407 1.00 0.00 C ATOM 51 O ARG A 5 99.345 1.116 -16.980 1.00 0.00 O ATOM 52 CB ARG A 5 99.596 3.339 -18.495 1.00 0.00 C ATOM 53 CG ARG A 5 99.698 4.738 -19.105 1.00 0.00 C ATOM 54 CD ARG A 5 100.221 4.635 -20.540 1.00 0.00 C ATOM 55 NE ARG A 5 99.362 5.454 -21.442 1.00 0.00 N ATOM 56 CZ ARG A 5 99.424 6.758 -21.400 1.00 0.00 C ATOM 57 NH1 ARG A 5 100.237 7.351 -20.567 1.00 0.00 N ATOM 58 NH2 ARG A 5 98.668 7.471 -22.191 1.00 0.00 N ATOM 0 H ARG A 5 102.182 2.869 -17.792 1.00 0.00 H new ATOM 0 HA ARG A 5 99.788 4.155 -16.511 1.00 0.00 H new ATOM 0 HB2 ARG A 5 100.107 2.615 -19.130 1.00 0.00 H new ATOM 0 HB3 ARG A 5 98.552 3.031 -18.437 1.00 0.00 H new ATOM 0 HG2 ARG A 5 98.721 5.221 -19.097 1.00 0.00 H new ATOM 0 HG3 ARG A 5 100.366 5.359 -18.507 1.00 0.00 H new ATOM 0 HD2 ARG A 5 101.253 4.983 -20.588 1.00 0.00 H new ATOM 0 HD3 ARG A 5 100.220 3.595 -20.865 1.00 0.00 H new ATOM 0 HE ARG A 5 98.725 4.995 -22.093 1.00 0.00 H new ATOM 0 HH11 ARG A 5 100.826 6.795 -19.947 1.00 0.00 H new ATOM 0 HH12 ARG A 5 100.283 8.370 -20.537 1.00 0.00 H new ATOM 0 HH21 ARG A 5 98.031 7.009 -22.840 1.00 0.00 H new ATOM 0 HH22 ARG A 5 98.715 8.489 -22.160 1.00 0.00 H new ATOM 72 N MET A 6 100.350 1.868 -15.177 1.00 0.00 N ATOM 73 CA MET A 6 100.099 0.592 -14.449 1.00 0.00 C ATOM 74 C MET A 6 98.671 0.595 -13.905 1.00 0.00 C ATOM 75 O MET A 6 97.929 1.539 -14.087 1.00 0.00 O ATOM 76 CB MET A 6 101.086 0.463 -13.287 1.00 0.00 C ATOM 77 CG MET A 6 102.513 0.660 -13.803 1.00 0.00 C ATOM 78 SD MET A 6 103.383 1.832 -12.732 1.00 0.00 S ATOM 79 CE MET A 6 103.095 0.964 -11.170 1.00 0.00 C ATOM 0 H MET A 6 100.851 2.580 -14.646 1.00 0.00 H new ATOM 0 HA MET A 6 100.230 -0.249 -15.130 1.00 0.00 H new ATOM 0 HB2 MET A 6 100.860 1.204 -12.520 1.00 0.00 H new ATOM 0 HB3 MET A 6 100.989 -0.518 -12.821 1.00 0.00 H new ATOM 0 HG2 MET A 6 103.040 -0.294 -13.821 1.00 0.00 H new ATOM 0 HG3 MET A 6 102.493 1.032 -14.827 1.00 0.00 H new ATOM 0 HE1 MET A 6 103.930 1.145 -10.494 1.00 0.00 H new ATOM 0 HE2 MET A 6 102.174 1.329 -10.715 1.00 0.00 H new ATOM 0 HE3 MET A 6 103.007 -0.106 -11.359 1.00 0.00 H new ATOM 89 N ARG A 7 98.279 -0.454 -13.235 1.00 0.00 N ATOM 90 CA ARG A 7 96.897 -0.505 -12.678 1.00 0.00 C ATOM 91 C ARG A 7 96.958 -0.353 -11.157 1.00 0.00 C ATOM 92 O ARG A 7 98.016 -0.419 -10.553 1.00 0.00 O ATOM 93 CB ARG A 7 96.232 -1.847 -13.023 1.00 0.00 C ATOM 94 CG ARG A 7 96.991 -2.552 -14.152 1.00 0.00 C ATOM 95 CD ARG A 7 96.855 -1.744 -15.444 1.00 0.00 C ATOM 96 NE ARG A 7 95.948 -2.463 -16.383 1.00 0.00 N ATOM 97 CZ ARG A 7 95.775 -2.017 -17.597 1.00 0.00 C ATOM 98 NH1 ARG A 7 96.393 -0.938 -17.996 1.00 0.00 N ATOM 99 NH2 ARG A 7 94.980 -2.651 -18.417 1.00 0.00 N ATOM 0 H ARG A 7 98.854 -1.276 -13.049 1.00 0.00 H new ATOM 0 HA ARG A 7 96.312 0.306 -13.112 1.00 0.00 H new ATOM 0 HB2 ARG A 7 96.209 -2.485 -12.140 1.00 0.00 H new ATOM 0 HB3 ARG A 7 95.197 -1.680 -13.322 1.00 0.00 H new ATOM 0 HG2 ARG A 7 98.043 -2.658 -13.886 1.00 0.00 H new ATOM 0 HG3 ARG A 7 96.596 -3.558 -14.297 1.00 0.00 H new ATOM 0 HD2 ARG A 7 96.459 -0.752 -15.226 1.00 0.00 H new ATOM 0 HD3 ARG A 7 97.834 -1.603 -15.903 1.00 0.00 H new ATOM 0 HE ARG A 7 95.462 -3.305 -16.076 1.00 0.00 H new ATOM 0 HH11 ARG A 7 97.014 -0.440 -17.358 1.00 0.00 H new ATOM 0 HH12 ARG A 7 96.255 -0.593 -18.946 1.00 0.00 H new ATOM 0 HH21 ARG A 7 94.495 -3.494 -18.108 1.00 0.00 H new ATOM 0 HH22 ARG A 7 94.844 -2.303 -19.366 1.00 0.00 H new ATOM 113 N MET A 8 95.832 -0.163 -10.529 1.00 0.00 N ATOM 114 CA MET A 8 95.830 -0.020 -9.048 1.00 0.00 C ATOM 115 C MET A 8 96.313 -1.334 -8.420 1.00 0.00 C ATOM 116 O MET A 8 96.806 -1.361 -7.308 1.00 0.00 O ATOM 117 CB MET A 8 94.411 0.283 -8.561 1.00 0.00 C ATOM 118 CG MET A 8 94.469 0.827 -7.131 1.00 0.00 C ATOM 119 SD MET A 8 93.064 0.192 -6.181 1.00 0.00 S ATOM 120 CE MET A 8 93.876 0.155 -4.563 1.00 0.00 C ATOM 0 H MET A 8 94.917 -0.101 -10.975 1.00 0.00 H new ATOM 0 HA MET A 8 96.491 0.797 -8.758 1.00 0.00 H new ATOM 0 HB2 MET A 8 93.936 1.010 -9.220 1.00 0.00 H new ATOM 0 HB3 MET A 8 93.803 -0.621 -8.594 1.00 0.00 H new ATOM 0 HG2 MET A 8 95.405 0.532 -6.657 1.00 0.00 H new ATOM 0 HG3 MET A 8 94.449 1.917 -7.145 1.00 0.00 H new ATOM 0 HE1 MET A 8 93.525 -0.710 -4.000 1.00 0.00 H new ATOM 0 HE2 MET A 8 94.955 0.086 -4.699 1.00 0.00 H new ATOM 0 HE3 MET A 8 93.637 1.066 -4.015 1.00 0.00 H new ATOM 130 N ARG A 9 96.163 -2.426 -9.128 1.00 0.00 N ATOM 131 CA ARG A 9 96.594 -3.749 -8.584 1.00 0.00 C ATOM 132 C ARG A 9 98.096 -3.735 -8.284 1.00 0.00 C ATOM 133 O ARG A 9 98.498 -3.902 -7.149 1.00 0.00 O ATOM 134 CB ARG A 9 96.280 -4.847 -9.602 1.00 0.00 C ATOM 135 CG ARG A 9 95.059 -5.641 -9.134 1.00 0.00 C ATOM 136 CD ARG A 9 95.405 -6.405 -7.855 1.00 0.00 C ATOM 137 NE ARG A 9 95.574 -7.851 -8.170 1.00 0.00 N ATOM 138 CZ ARG A 9 94.557 -8.555 -8.591 1.00 0.00 C ATOM 139 NH1 ARG A 9 93.385 -7.994 -8.735 1.00 0.00 N ATOM 140 NH2 ARG A 9 94.710 -9.820 -8.871 1.00 0.00 N ATOM 0 H ARG A 9 95.758 -2.457 -10.064 1.00 0.00 H new ATOM 0 HA ARG A 9 96.053 -3.946 -7.658 1.00 0.00 H new ATOM 0 HB2 ARG A 9 96.088 -4.407 -10.580 1.00 0.00 H new ATOM 0 HB3 ARG A 9 97.138 -5.510 -9.714 1.00 0.00 H new ATOM 0 HG2 ARG A 9 94.222 -4.967 -8.952 1.00 0.00 H new ATOM 0 HG3 ARG A 9 94.745 -6.337 -9.912 1.00 0.00 H new ATOM 0 HD2 ARG A 9 96.321 -6.008 -7.418 1.00 0.00 H new ATOM 0 HD3 ARG A 9 94.616 -6.273 -7.115 1.00 0.00 H new ATOM 0 HE ARG A 9 96.486 -8.293 -8.057 1.00 0.00 H new ATOM 0 HH11 ARG A 9 93.263 -7.005 -8.519 1.00 0.00 H new ATOM 0 HH12 ARG A 9 92.593 -8.546 -9.064 1.00 0.00 H new ATOM 0 HH21 ARG A 9 95.624 -10.260 -8.761 1.00 0.00 H new ATOM 0 HH22 ARG A 9 93.916 -10.369 -9.200 1.00 0.00 H new ATOM 154 N PRO A 10 98.888 -3.528 -9.306 1.00 0.00 N ATOM 155 CA PRO A 10 100.351 -3.480 -9.166 1.00 0.00 C ATOM 156 C PRO A 10 100.761 -2.218 -8.410 1.00 0.00 C ATOM 157 O PRO A 10 101.797 -2.171 -7.781 1.00 0.00 O ATOM 158 CB PRO A 10 100.862 -3.477 -10.604 1.00 0.00 C ATOM 159 CG PRO A 10 99.689 -2.981 -11.468 1.00 0.00 C ATOM 160 CD PRO A 10 98.407 -3.309 -10.682 1.00 0.00 C ATOM 0 HA PRO A 10 100.762 -4.314 -8.597 1.00 0.00 H new ATOM 0 HB2 PRO A 10 101.728 -2.824 -10.709 1.00 0.00 H new ATOM 0 HB3 PRO A 10 101.177 -4.475 -10.909 1.00 0.00 H new ATOM 0 HG2 PRO A 10 99.768 -1.910 -11.654 1.00 0.00 H new ATOM 0 HG3 PRO A 10 99.686 -3.474 -12.440 1.00 0.00 H new ATOM 0 HD2 PRO A 10 97.688 -2.491 -10.730 1.00 0.00 H new ATOM 0 HD3 PRO A 10 97.910 -4.194 -11.078 1.00 0.00 H new ATOM 168 N TRP A 11 99.945 -1.199 -8.451 1.00 0.00 N ATOM 169 CA TRP A 11 100.284 0.046 -7.710 1.00 0.00 C ATOM 170 C TRP A 11 100.315 -0.269 -6.211 1.00 0.00 C ATOM 171 O TRP A 11 101.219 0.126 -5.497 1.00 0.00 O ATOM 172 CB TRP A 11 99.217 1.108 -7.993 1.00 0.00 C ATOM 173 CG TRP A 11 99.728 2.459 -7.602 1.00 0.00 C ATOM 174 CD1 TRP A 11 100.319 3.341 -8.442 1.00 0.00 C ATOM 175 CD2 TRP A 11 99.697 3.100 -6.293 1.00 0.00 C ATOM 176 NE1 TRP A 11 100.655 4.478 -7.731 1.00 0.00 N ATOM 177 CE2 TRP A 11 100.291 4.379 -6.405 1.00 0.00 C ATOM 178 CE3 TRP A 11 99.217 2.701 -5.032 1.00 0.00 C ATOM 179 CZ2 TRP A 11 100.408 5.231 -5.308 1.00 0.00 C ATOM 180 CZ3 TRP A 11 99.331 3.557 -3.925 1.00 0.00 C ATOM 181 CH2 TRP A 11 99.926 4.819 -4.063 1.00 0.00 C ATOM 0 H TRP A 11 99.063 -1.176 -8.963 1.00 0.00 H new ATOM 0 HA TRP A 11 101.257 0.421 -8.028 1.00 0.00 H new ATOM 0 HB2 TRP A 11 98.956 1.101 -9.051 1.00 0.00 H new ATOM 0 HB3 TRP A 11 98.307 0.879 -7.438 1.00 0.00 H new ATOM 0 HD1 TRP A 11 100.499 3.182 -9.495 1.00 0.00 H new ATOM 0 HE1 TRP A 11 101.116 5.292 -8.138 1.00 0.00 H new ATOM 0 HE3 TRP A 11 98.758 1.730 -4.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 100.868 6.202 -5.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 98.958 3.242 -2.962 1.00 0.00 H new ATOM 0 HH2 TRP A 11 100.012 5.472 -3.207 1.00 0.00 H new ATOM 192 N LEU A 12 99.336 -0.992 -5.730 1.00 0.00 N ATOM 193 CA LEU A 12 99.302 -1.346 -4.286 1.00 0.00 C ATOM 194 C LEU A 12 100.346 -2.425 -4.011 1.00 0.00 C ATOM 195 O LEU A 12 101.168 -2.295 -3.129 1.00 0.00 O ATOM 196 CB LEU A 12 97.912 -1.873 -3.924 1.00 0.00 C ATOM 197 CG LEU A 12 97.421 -1.190 -2.646 1.00 0.00 C ATOM 198 CD1 LEU A 12 97.489 0.329 -2.815 1.00 0.00 C ATOM 199 CD2 LEU A 12 95.973 -1.605 -2.372 1.00 0.00 C ATOM 0 H LEU A 12 98.557 -1.352 -6.281 1.00 0.00 H new ATOM 0 HA LEU A 12 99.521 -0.464 -3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 12 97.216 -1.682 -4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 12 97.947 -2.953 -3.781 1.00 0.00 H new ATOM 0 HG LEU A 12 98.053 -1.490 -1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 12 97.139 0.813 -1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 12 98.519 0.628 -3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 12 96.858 0.631 -3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 12 95.621 -1.119 -1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 12 95.344 -1.305 -3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 12 95.922 -2.687 -2.249 1.00 0.00 H new ATOM 211 N GLU A 13 100.328 -3.491 -4.765 1.00 0.00 N ATOM 212 CA GLU A 13 101.332 -4.565 -4.542 1.00 0.00 C ATOM 213 C GLU A 13 102.717 -3.930 -4.421 1.00 0.00 C ATOM 214 O GLU A 13 103.533 -4.338 -3.617 1.00 0.00 O ATOM 215 CB GLU A 13 101.316 -5.539 -5.722 1.00 0.00 C ATOM 216 CG GLU A 13 102.311 -6.672 -5.461 1.00 0.00 C ATOM 217 CD GLU A 13 102.428 -7.548 -6.709 1.00 0.00 C ATOM 218 OE1 GLU A 13 102.910 -7.053 -7.715 1.00 0.00 O ATOM 219 OE2 GLU A 13 102.036 -8.702 -6.639 1.00 0.00 O ATOM 0 H GLU A 13 99.665 -3.662 -5.521 1.00 0.00 H new ATOM 0 HA GLU A 13 101.093 -5.109 -3.628 1.00 0.00 H new ATOM 0 HB2 GLU A 13 100.314 -5.945 -5.859 1.00 0.00 H new ATOM 0 HB3 GLU A 13 101.577 -5.016 -6.642 1.00 0.00 H new ATOM 0 HG2 GLU A 13 103.286 -6.261 -5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 13 101.981 -7.272 -4.613 1.00 0.00 H new ATOM 226 N GLU A 14 102.982 -2.926 -5.210 1.00 0.00 N ATOM 227 CA GLU A 14 104.306 -2.254 -5.142 1.00 0.00 C ATOM 228 C GLU A 14 104.404 -1.471 -3.833 1.00 0.00 C ATOM 229 O GLU A 14 105.329 -1.648 -3.066 1.00 0.00 O ATOM 230 CB GLU A 14 104.458 -1.300 -6.328 1.00 0.00 C ATOM 231 CG GLU A 14 105.434 -1.903 -7.341 1.00 0.00 C ATOM 232 CD GLU A 14 105.622 -0.935 -8.511 1.00 0.00 C ATOM 233 OE1 GLU A 14 105.876 0.230 -8.258 1.00 0.00 O ATOM 234 OE2 GLU A 14 105.508 -1.379 -9.643 1.00 0.00 O ATOM 0 H GLU A 14 102.336 -2.542 -5.900 1.00 0.00 H new ATOM 0 HA GLU A 14 105.100 -3.000 -5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 14 103.489 -1.128 -6.797 1.00 0.00 H new ATOM 0 HB3 GLU A 14 104.823 -0.332 -5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 14 106.393 -2.102 -6.863 1.00 0.00 H new ATOM 0 HG3 GLU A 14 105.054 -2.858 -7.703 1.00 0.00 H new ATOM 241 N GLN A 15 103.456 -0.610 -3.564 1.00 0.00 N ATOM 242 CA GLN A 15 103.508 0.170 -2.292 1.00 0.00 C ATOM 243 C GLN A 15 103.885 -0.765 -1.141 1.00 0.00 C ATOM 244 O GLN A 15 104.875 -0.569 -0.466 1.00 0.00 O ATOM 245 CB GLN A 15 102.138 0.791 -2.009 1.00 0.00 C ATOM 246 CG GLN A 15 101.854 1.911 -3.013 1.00 0.00 C ATOM 247 CD GLN A 15 103.041 2.875 -3.077 1.00 0.00 C ATOM 248 OE1 GLN A 15 103.810 2.978 -2.142 1.00 0.00 O ATOM 249 NE2 GLN A 15 103.220 3.596 -4.151 1.00 0.00 N ATOM 0 H GLN A 15 102.655 -0.415 -4.165 1.00 0.00 H new ATOM 0 HA GLN A 15 104.252 0.962 -2.385 1.00 0.00 H new ATOM 0 HB2 GLN A 15 101.363 0.027 -2.074 1.00 0.00 H new ATOM 0 HB3 GLN A 15 102.111 1.186 -0.994 1.00 0.00 H new ATOM 0 HG2 GLN A 15 101.667 1.487 -3.999 1.00 0.00 H new ATOM 0 HG3 GLN A 15 100.953 2.451 -2.722 1.00 0.00 H new ATOM 0 HE21 GLN A 15 102.575 3.510 -4.936 1.00 0.00 H new ATOM 0 HE22 GLN A 15 104.005 4.245 -4.205 1.00 0.00 H new ATOM 258 N ILE A 16 103.098 -1.780 -0.912 1.00 0.00 N ATOM 259 CA ILE A 16 103.402 -2.733 0.194 1.00 0.00 C ATOM 260 C ILE A 16 104.806 -3.313 0.012 1.00 0.00 C ATOM 261 O ILE A 16 105.576 -3.408 0.947 1.00 0.00 O ATOM 262 CB ILE A 16 102.384 -3.874 0.173 1.00 0.00 C ATOM 263 CG1 ILE A 16 100.967 -3.297 0.158 1.00 0.00 C ATOM 264 CG2 ILE A 16 102.569 -4.746 1.415 1.00 0.00 C ATOM 265 CD1 ILE A 16 100.138 -4.003 -0.917 1.00 0.00 C ATOM 0 H ILE A 16 102.254 -1.992 -1.445 1.00 0.00 H new ATOM 0 HA ILE A 16 103.350 -2.204 1.146 1.00 0.00 H new ATOM 0 HB ILE A 16 102.537 -4.479 -0.721 1.00 0.00 H new ATOM 0 HG12 ILE A 16 100.500 -3.426 1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 16 101.002 -2.226 -0.040 1.00 0.00 H new ATOM 0 HG21 ILE A 16 101.843 -5.559 1.400 1.00 0.00 H new ATOM 0 HG22 ILE A 16 103.577 -5.160 1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 16 102.418 -4.142 2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 16 99.129 -3.591 -0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 16 100.601 -3.851 -1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 16 100.092 -5.070 -0.699 1.00 0.00 H new ATOM 277 N ASN A 17 105.142 -3.715 -1.183 1.00 0.00 N ATOM 278 CA ASN A 17 106.491 -4.305 -1.423 1.00 0.00 C ATOM 279 C ASN A 17 107.579 -3.409 -0.819 1.00 0.00 C ATOM 280 O ASN A 17 108.453 -3.871 -0.113 1.00 0.00 O ATOM 281 CB ASN A 17 106.723 -4.445 -2.929 1.00 0.00 C ATOM 282 CG ASN A 17 106.911 -5.923 -3.282 1.00 0.00 C ATOM 283 OD1 ASN A 17 107.619 -6.637 -2.601 1.00 0.00 O ATOM 284 ND2 ASN A 17 106.300 -6.415 -4.325 1.00 0.00 N ATOM 0 H ASN A 17 104.540 -3.661 -2.005 1.00 0.00 H new ATOM 0 HA ASN A 17 106.539 -5.285 -0.949 1.00 0.00 H new ATOM 0 HB2 ASN A 17 105.876 -4.034 -3.478 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.603 -3.874 -3.227 1.00 0.00 H new ATOM 0 HD21 ASN A 17 106.417 -7.399 -4.568 1.00 0.00 H new ATOM 0 HD22 ASN A 17 105.705 -5.816 -4.897 1.00 0.00 H new ATOM 291 N SER A 18 107.541 -2.139 -1.104 1.00 0.00 N ATOM 292 CA SER A 18 108.583 -1.216 -0.561 1.00 0.00 C ATOM 293 C SER A 18 108.141 -0.652 0.793 1.00 0.00 C ATOM 294 O SER A 18 108.888 0.038 1.459 1.00 0.00 O ATOM 295 CB SER A 18 108.797 -0.064 -1.543 1.00 0.00 C ATOM 296 OG SER A 18 109.805 -0.426 -2.478 1.00 0.00 O ATOM 0 H SER A 18 106.833 -1.696 -1.690 1.00 0.00 H new ATOM 0 HA SER A 18 109.512 -1.770 -0.427 1.00 0.00 H new ATOM 0 HB2 SER A 18 107.867 0.163 -2.063 1.00 0.00 H new ATOM 0 HB3 SER A 18 109.090 0.838 -1.005 1.00 0.00 H new ATOM 0 HG SER A 18 109.944 0.310 -3.110 1.00 0.00 H new ATOM 302 N ASN A 19 106.935 -0.931 1.205 1.00 0.00 N ATOM 303 CA ASN A 19 106.455 -0.400 2.513 1.00 0.00 C ATOM 304 C ASN A 19 106.458 1.129 2.466 1.00 0.00 C ATOM 305 O ASN A 19 107.329 1.775 3.015 1.00 0.00 O ATOM 306 CB ASN A 19 107.379 -0.880 3.634 1.00 0.00 C ATOM 307 CG ASN A 19 107.590 -2.391 3.509 1.00 0.00 C ATOM 308 OD1 ASN A 19 106.676 -3.117 3.175 1.00 0.00 O ATOM 309 ND2 ASN A 19 108.766 -2.896 3.763 1.00 0.00 N ATOM 0 H ASN A 19 106.262 -1.502 0.694 1.00 0.00 H new ATOM 0 HA ASN A 19 105.444 -0.759 2.704 1.00 0.00 H new ATOM 0 HB2 ASN A 19 108.337 -0.362 3.577 1.00 0.00 H new ATOM 0 HB3 ASN A 19 106.945 -0.642 4.605 1.00 0.00 H new ATOM 0 HD21 ASN A 19 108.918 -3.901 3.681 1.00 0.00 H new ATOM 0 HD22 ASN A 19 109.533 -2.285 4.044 1.00 0.00 H new ATOM 316 N THR A 20 105.494 1.713 1.807 1.00 0.00 N ATOM 317 CA THR A 20 105.447 3.199 1.716 1.00 0.00 C ATOM 318 C THR A 20 104.794 3.776 2.976 1.00 0.00 C ATOM 319 O THR A 20 104.768 4.974 3.177 1.00 0.00 O ATOM 320 CB THR A 20 104.640 3.607 0.478 1.00 0.00 C ATOM 321 OG1 THR A 20 104.693 5.018 0.321 1.00 0.00 O ATOM 322 CG2 THR A 20 103.187 3.162 0.638 1.00 0.00 C ATOM 0 H THR A 20 104.737 1.225 1.328 1.00 0.00 H new ATOM 0 HA THR A 20 106.461 3.590 1.632 1.00 0.00 H new ATOM 0 HB THR A 20 105.066 3.128 -0.404 1.00 0.00 H new ATOM 0 HG1 THR A 20 104.716 5.445 1.203 1.00 0.00 H new ATOM 0 HG21 THR A 20 102.618 3.454 -0.244 1.00 0.00 H new ATOM 0 HG22 THR A 20 103.149 2.079 0.752 1.00 0.00 H new ATOM 0 HG23 THR A 20 102.757 3.635 1.521 1.00 0.00 H new ATOM 330 N ILE A 21 104.269 2.937 3.829 1.00 0.00 N ATOM 331 CA ILE A 21 103.625 3.453 5.072 1.00 0.00 C ATOM 332 C ILE A 21 103.944 2.520 6.249 1.00 0.00 C ATOM 333 O ILE A 21 103.860 1.313 6.119 1.00 0.00 O ATOM 334 CB ILE A 21 102.108 3.510 4.883 1.00 0.00 C ATOM 335 CG1 ILE A 21 101.780 3.863 3.432 1.00 0.00 C ATOM 336 CG2 ILE A 21 101.518 4.571 5.809 1.00 0.00 C ATOM 337 CD1 ILE A 21 102.110 5.336 3.169 1.00 0.00 C ATOM 0 H ILE A 21 104.258 1.923 3.720 1.00 0.00 H new ATOM 0 HA ILE A 21 104.009 4.452 5.279 1.00 0.00 H new ATOM 0 HB ILE A 21 101.680 2.537 5.123 1.00 0.00 H new ATOM 0 HG12 ILE A 21 102.350 3.227 2.755 1.00 0.00 H new ATOM 0 HG13 ILE A 21 100.725 3.676 3.232 1.00 0.00 H new ATOM 0 HG21 ILE A 21 100.437 4.611 5.674 1.00 0.00 H new ATOM 0 HG22 ILE A 21 101.745 4.317 6.844 1.00 0.00 H new ATOM 0 HG23 ILE A 21 101.950 5.543 5.570 1.00 0.00 H new ATOM 0 HD11 ILE A 21 101.874 5.582 2.134 1.00 0.00 H new ATOM 0 HD12 ILE A 21 101.520 5.966 3.835 1.00 0.00 H new ATOM 0 HD13 ILE A 21 103.171 5.509 3.351 1.00 0.00 H new ATOM 349 N PRO A 22 104.282 3.107 7.373 1.00 0.00 N ATOM 350 CA PRO A 22 104.602 2.348 8.596 1.00 0.00 C ATOM 351 C PRO A 22 103.317 1.789 9.214 1.00 0.00 C ATOM 352 O PRO A 22 102.655 2.436 10.000 1.00 0.00 O ATOM 353 CB PRO A 22 105.259 3.388 9.508 1.00 0.00 C ATOM 354 CG PRO A 22 104.785 4.769 9.002 1.00 0.00 C ATOM 355 CD PRO A 22 104.368 4.574 7.532 1.00 0.00 C ATOM 0 HA PRO A 22 105.251 1.490 8.420 1.00 0.00 H new ATOM 0 HB2 PRO A 22 104.968 3.234 10.547 1.00 0.00 H new ATOM 0 HB3 PRO A 22 106.345 3.311 9.467 1.00 0.00 H new ATOM 0 HG2 PRO A 22 103.949 5.135 9.598 1.00 0.00 H new ATOM 0 HG3 PRO A 22 105.582 5.508 9.085 1.00 0.00 H new ATOM 0 HD2 PRO A 22 103.412 5.054 7.322 1.00 0.00 H new ATOM 0 HD3 PRO A 22 105.099 5.007 6.849 1.00 0.00 H new ATOM 363 N GLY A 23 102.961 0.592 8.845 1.00 0.00 N ATOM 364 CA GLY A 23 101.717 -0.027 9.381 1.00 0.00 C ATOM 365 C GLY A 23 101.105 -0.894 8.282 1.00 0.00 C ATOM 366 O GLY A 23 100.389 -1.840 8.543 1.00 0.00 O ATOM 0 H GLY A 23 103.483 0.010 8.189 1.00 0.00 H new ATOM 0 HA2 GLY A 23 101.941 -0.630 10.261 1.00 0.00 H new ATOM 0 HA3 GLY A 23 101.013 0.744 9.694 1.00 0.00 H new ATOM 370 N LEU A 24 101.400 -0.579 7.049 1.00 0.00 N ATOM 371 CA LEU A 24 100.861 -1.379 5.919 1.00 0.00 C ATOM 372 C LEU A 24 101.999 -2.248 5.367 1.00 0.00 C ATOM 373 O LEU A 24 103.104 -1.782 5.177 1.00 0.00 O ATOM 374 CB LEU A 24 100.319 -0.415 4.840 1.00 0.00 C ATOM 375 CG LEU A 24 100.828 -0.807 3.447 1.00 0.00 C ATOM 376 CD1 LEU A 24 100.248 -2.165 3.057 1.00 0.00 C ATOM 377 CD2 LEU A 24 100.400 0.243 2.418 1.00 0.00 C ATOM 0 H LEU A 24 101.995 0.204 6.778 1.00 0.00 H new ATOM 0 HA LEU A 24 100.044 -2.025 6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 24 99.229 -0.428 4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.628 0.605 5.070 1.00 0.00 H new ATOM 0 HG LEU A 24 101.916 -0.864 3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 24 100.609 -2.444 2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 24 100.560 -2.916 3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 24 99.160 -2.105 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 24 100.766 -0.044 1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 24 99.312 0.309 2.396 1.00 0.00 H new ATOM 0 HD23 LEU A 24 100.817 1.212 2.692 1.00 0.00 H new ATOM 389 N LYS A 25 101.745 -3.500 5.109 1.00 0.00 N ATOM 390 CA LYS A 25 102.837 -4.368 4.572 1.00 0.00 C ATOM 391 C LYS A 25 102.315 -5.777 4.280 1.00 0.00 C ATOM 392 O LYS A 25 101.280 -6.184 4.767 1.00 0.00 O ATOM 393 CB LYS A 25 103.973 -4.444 5.591 1.00 0.00 C ATOM 394 CG LYS A 25 103.383 -4.437 6.996 1.00 0.00 C ATOM 395 CD LYS A 25 102.453 -5.636 7.158 1.00 0.00 C ATOM 396 CE LYS A 25 102.528 -6.152 8.596 1.00 0.00 C ATOM 397 NZ LYS A 25 101.271 -5.805 9.317 1.00 0.00 N ATOM 0 H LYS A 25 100.843 -3.958 5.243 1.00 0.00 H new ATOM 0 HA LYS A 25 103.203 -3.934 3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.559 -5.349 5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.650 -3.599 5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 25 104.180 -4.478 7.738 1.00 0.00 H new ATOM 0 HG3 LYS A 25 102.835 -3.511 7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 25 101.429 -5.350 6.916 1.00 0.00 H new ATOM 0 HD3 LYS A 25 102.736 -6.426 6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 25 102.674 -7.232 8.598 1.00 0.00 H new ATOM 0 HE3 LYS A 25 103.385 -5.713 9.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 101.497 -5.218 10.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 100.640 -5.277 8.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 100.798 -6.677 9.629 1.00 0.00 H new ATOM 411 N TRP A 26 103.035 -6.524 3.484 1.00 0.00 N ATOM 412 CA TRP A 26 102.602 -7.910 3.147 1.00 0.00 C ATOM 413 C TRP A 26 102.815 -8.828 4.350 1.00 0.00 C ATOM 414 O TRP A 26 103.925 -9.236 4.629 1.00 0.00 O ATOM 415 CB TRP A 26 103.457 -8.446 1.992 1.00 0.00 C ATOM 416 CG TRP A 26 102.999 -7.879 0.687 1.00 0.00 C ATOM 417 CD1 TRP A 26 103.731 -7.052 -0.091 1.00 0.00 C ATOM 418 CD2 TRP A 26 101.742 -8.096 -0.015 1.00 0.00 C ATOM 419 NE1 TRP A 26 102.998 -6.735 -1.220 1.00 0.00 N ATOM 420 CE2 TRP A 26 101.764 -7.355 -1.220 1.00 0.00 C ATOM 421 CE3 TRP A 26 100.594 -8.851 0.275 1.00 0.00 C ATOM 422 CZ2 TRP A 26 100.685 -7.364 -2.104 1.00 0.00 C ATOM 423 CZ3 TRP A 26 99.506 -8.864 -0.612 1.00 0.00 C ATOM 424 CH2 TRP A 26 99.552 -8.122 -1.800 1.00 0.00 C ATOM 0 H TRP A 26 103.910 -6.230 3.051 1.00 0.00 H new ATOM 0 HA TRP A 26 101.548 -7.888 2.869 1.00 0.00 H new ATOM 0 HB2 TRP A 26 104.503 -8.190 2.158 1.00 0.00 H new ATOM 0 HB3 TRP A 26 103.396 -9.534 1.963 1.00 0.00 H new ATOM 0 HD1 TRP A 26 104.726 -6.697 0.132 1.00 0.00 H new ATOM 0 HE1 TRP A 26 103.329 -6.118 -1.962 1.00 0.00 H new ATOM 0 HE3 TRP A 26 100.548 -9.426 1.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 100.725 -6.789 -3.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 98.629 -9.449 -0.378 1.00 0.00 H new ATOM 0 HH2 TRP A 26 98.713 -8.136 -2.479 1.00 0.00 H new ATOM 435 N LEU A 27 101.776 -9.201 5.046 1.00 0.00 N ATOM 436 CA LEU A 27 101.987 -10.133 6.187 1.00 0.00 C ATOM 437 C LEU A 27 102.696 -11.353 5.625 1.00 0.00 C ATOM 438 O LEU A 27 103.511 -11.985 6.268 1.00 0.00 O ATOM 439 CB LEU A 27 100.647 -10.563 6.778 1.00 0.00 C ATOM 440 CG LEU A 27 99.738 -9.353 6.957 1.00 0.00 C ATOM 441 CD1 LEU A 27 98.574 -9.749 7.860 1.00 0.00 C ATOM 442 CD2 LEU A 27 100.520 -8.205 7.604 1.00 0.00 C ATOM 0 H LEU A 27 100.813 -8.909 4.880 1.00 0.00 H new ATOM 0 HA LEU A 27 102.567 -9.651 6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 27 100.170 -11.292 6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 27 100.805 -11.053 7.739 1.00 0.00 H new ATOM 0 HG LEU A 27 99.366 -9.024 5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 27 97.913 -8.893 7.998 1.00 0.00 H new ATOM 0 HD12 LEU A 27 98.018 -10.566 7.400 1.00 0.00 H new ATOM 0 HD13 LEU A 27 98.958 -10.071 8.828 1.00 0.00 H new ATOM 0 HD21 LEU A 27 99.864 -7.343 7.729 1.00 0.00 H new ATOM 0 HD22 LEU A 27 100.892 -8.522 8.578 1.00 0.00 H new ATOM 0 HD23 LEU A 27 101.360 -7.932 6.966 1.00 0.00 H new ATOM 454 N ASN A 28 102.384 -11.667 4.400 1.00 0.00 N ATOM 455 CA ASN A 28 103.012 -12.823 3.719 1.00 0.00 C ATOM 456 C ASN A 28 102.849 -12.626 2.214 1.00 0.00 C ATOM 457 O ASN A 28 101.931 -13.144 1.605 1.00 0.00 O ATOM 458 CB ASN A 28 102.320 -14.119 4.146 1.00 0.00 C ATOM 459 CG ASN A 28 103.359 -15.084 4.719 1.00 0.00 C ATOM 460 OD1 ASN A 28 104.547 -14.874 4.572 1.00 0.00 O ATOM 461 ND2 ASN A 28 102.959 -16.142 5.370 1.00 0.00 N ATOM 0 H ASN A 28 101.705 -11.158 3.834 1.00 0.00 H new ATOM 0 HA ASN A 28 104.067 -12.890 3.984 1.00 0.00 H new ATOM 0 HB2 ASN A 28 101.554 -13.907 4.892 1.00 0.00 H new ATOM 0 HB3 ASN A 28 101.817 -14.574 3.293 1.00 0.00 H new ATOM 0 HD21 ASN A 28 103.643 -16.793 5.755 1.00 0.00 H new ATOM 0 HD22 ASN A 28 101.962 -16.318 5.493 1.00 0.00 H new ATOM 468 N LYS A 29 103.723 -11.870 1.607 1.00 0.00 N ATOM 469 CA LYS A 29 103.605 -11.642 0.144 1.00 0.00 C ATOM 470 C LYS A 29 103.671 -12.997 -0.561 1.00 0.00 C ATOM 471 O LYS A 29 103.181 -13.163 -1.661 1.00 0.00 O ATOM 472 CB LYS A 29 104.743 -10.735 -0.334 1.00 0.00 C ATOM 473 CG LYS A 29 104.760 -10.690 -1.864 1.00 0.00 C ATOM 474 CD LYS A 29 103.676 -9.729 -2.357 1.00 0.00 C ATOM 475 CE LYS A 29 102.464 -10.527 -2.839 1.00 0.00 C ATOM 476 NZ LYS A 29 102.746 -11.086 -4.190 1.00 0.00 N ATOM 0 H LYS A 29 104.509 -11.404 2.060 1.00 0.00 H new ATOM 0 HA LYS A 29 102.659 -11.153 -0.087 1.00 0.00 H new ATOM 0 HB2 LYS A 29 104.613 -9.730 0.067 1.00 0.00 H new ATOM 0 HB3 LYS A 29 105.698 -11.106 0.039 1.00 0.00 H new ATOM 0 HG2 LYS A 29 105.738 -10.365 -2.218 1.00 0.00 H new ATOM 0 HG3 LYS A 29 104.589 -11.687 -2.270 1.00 0.00 H new ATOM 0 HD2 LYS A 29 103.383 -9.053 -1.554 1.00 0.00 H new ATOM 0 HD3 LYS A 29 104.064 -9.112 -3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 29 102.243 -11.333 -2.139 1.00 0.00 H new ATOM 0 HE3 LYS A 29 101.583 -9.886 -2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 102.253 -11.995 -4.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 102.412 -10.422 -4.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 103.770 -11.232 -4.299 1.00 0.00 H new ATOM 490 N GLU A 30 104.255 -13.978 0.077 1.00 0.00 N ATOM 491 CA GLU A 30 104.331 -15.330 -0.541 1.00 0.00 C ATOM 492 C GLU A 30 102.906 -15.816 -0.807 1.00 0.00 C ATOM 493 O GLU A 30 102.589 -16.298 -1.877 1.00 0.00 O ATOM 494 CB GLU A 30 105.033 -16.293 0.420 1.00 0.00 C ATOM 495 CG GLU A 30 104.793 -17.737 -0.028 1.00 0.00 C ATOM 496 CD GLU A 30 105.994 -18.599 0.365 1.00 0.00 C ATOM 497 OE1 GLU A 30 107.107 -18.200 0.069 1.00 0.00 O ATOM 498 OE2 GLU A 30 105.778 -19.643 0.958 1.00 0.00 O ATOM 0 H GLU A 30 104.682 -13.899 1.000 1.00 0.00 H new ATOM 0 HA GLU A 30 104.894 -15.289 -1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 30 106.102 -16.083 0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 30 104.657 -16.149 1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 30 103.886 -18.126 0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 30 104.643 -17.774 -1.107 1.00 0.00 H new ATOM 505 N LYS A 31 102.040 -15.673 0.161 1.00 0.00 N ATOM 506 CA LYS A 31 100.627 -16.103 -0.026 1.00 0.00 C ATOM 507 C LYS A 31 99.805 -14.904 -0.513 1.00 0.00 C ATOM 508 O LYS A 31 98.638 -15.026 -0.825 1.00 0.00 O ATOM 509 CB LYS A 31 100.064 -16.604 1.307 1.00 0.00 C ATOM 510 CG LYS A 31 100.416 -18.082 1.491 1.00 0.00 C ATOM 511 CD LYS A 31 99.687 -18.631 2.721 1.00 0.00 C ATOM 512 CE LYS A 31 99.670 -20.159 2.667 1.00 0.00 C ATOM 513 NZ LYS A 31 98.265 -20.634 2.526 1.00 0.00 N ATOM 0 H LYS A 31 102.253 -15.275 1.076 1.00 0.00 H new ATOM 0 HA LYS A 31 100.578 -16.907 -0.760 1.00 0.00 H new ATOM 0 HB2 LYS A 31 100.473 -16.017 2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 31 98.982 -16.472 1.329 1.00 0.00 H new ATOM 0 HG2 LYS A 31 100.132 -18.648 0.604 1.00 0.00 H new ATOM 0 HG3 LYS A 31 101.493 -18.198 1.611 1.00 0.00 H new ATOM 0 HD2 LYS A 31 100.184 -18.295 3.631 1.00 0.00 H new ATOM 0 HD3 LYS A 31 98.668 -18.247 2.754 1.00 0.00 H new ATOM 0 HE2 LYS A 31 100.270 -20.511 1.828 1.00 0.00 H new ATOM 0 HE3 LYS A 31 100.116 -20.571 3.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 98.252 -21.673 2.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 97.705 -20.309 3.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 97.855 -20.251 1.650 1.00 0.00 H new ATOM 527 N LYS A 32 100.416 -13.748 -0.584 1.00 0.00 N ATOM 528 CA LYS A 32 99.698 -12.529 -1.057 1.00 0.00 C ATOM 529 C LYS A 32 98.749 -12.001 0.027 1.00 0.00 C ATOM 530 O LYS A 32 97.600 -11.720 -0.238 1.00 0.00 O ATOM 531 CB LYS A 32 98.895 -12.856 -2.320 1.00 0.00 C ATOM 532 CG LYS A 32 99.787 -13.589 -3.324 1.00 0.00 C ATOM 533 CD LYS A 32 99.495 -13.071 -4.733 1.00 0.00 C ATOM 534 CE LYS A 32 99.885 -11.595 -4.824 1.00 0.00 C ATOM 535 NZ LYS A 32 100.569 -11.339 -6.124 1.00 0.00 N ATOM 0 H LYS A 32 101.393 -13.597 -0.331 1.00 0.00 H new ATOM 0 HA LYS A 32 100.438 -11.761 -1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 32 98.034 -13.474 -2.065 1.00 0.00 H new ATOM 0 HB3 LYS A 32 98.509 -11.939 -2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 32 100.837 -13.432 -3.077 1.00 0.00 H new ATOM 0 HG3 LYS A 32 99.605 -14.662 -3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 32 100.052 -13.651 -5.468 1.00 0.00 H new ATOM 0 HD3 LYS A 32 98.437 -13.194 -4.965 1.00 0.00 H new ATOM 0 HE2 LYS A 32 98.998 -10.968 -4.738 1.00 0.00 H new ATOM 0 HE3 LYS A 32 100.543 -11.330 -3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 100.879 -10.347 -6.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 101.396 -11.964 -6.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 99.910 -11.527 -6.906 1.00 0.00 H new ATOM 549 N ILE A 33 99.219 -11.836 1.238 1.00 0.00 N ATOM 550 CA ILE A 33 98.326 -11.293 2.311 1.00 0.00 C ATOM 551 C ILE A 33 98.858 -9.931 2.754 1.00 0.00 C ATOM 552 O ILE A 33 100.005 -9.802 3.134 1.00 0.00 O ATOM 553 CB ILE A 33 98.302 -12.234 3.513 1.00 0.00 C ATOM 554 CG1 ILE A 33 97.609 -13.542 3.123 1.00 0.00 C ATOM 555 CG2 ILE A 33 97.528 -11.565 4.651 1.00 0.00 C ATOM 556 CD1 ILE A 33 98.575 -14.416 2.323 1.00 0.00 C ATOM 0 H ILE A 33 100.172 -12.051 1.530 1.00 0.00 H new ATOM 0 HA ILE A 33 97.314 -11.198 1.918 1.00 0.00 H new ATOM 0 HB ILE A 33 99.321 -12.449 3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 33 97.279 -14.071 4.017 1.00 0.00 H new ATOM 0 HG13 ILE A 33 96.718 -13.331 2.531 1.00 0.00 H new ATOM 0 HG21 ILE A 33 97.505 -12.229 5.515 1.00 0.00 H new ATOM 0 HG22 ILE A 33 98.018 -10.631 4.925 1.00 0.00 H new ATOM 0 HG23 ILE A 33 96.509 -11.358 4.325 1.00 0.00 H new ATOM 0 HD11 ILE A 33 98.080 -15.347 2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 33 98.883 -13.887 1.421 1.00 0.00 H new ATOM 0 HD13 ILE A 33 99.452 -14.639 2.930 1.00 0.00 H new ATOM 568 N PHE A 34 98.050 -8.903 2.703 1.00 0.00 N ATOM 569 CA PHE A 34 98.566 -7.566 3.107 1.00 0.00 C ATOM 570 C PHE A 34 97.694 -6.929 4.194 1.00 0.00 C ATOM 571 O PHE A 34 96.480 -6.889 4.104 1.00 0.00 O ATOM 572 CB PHE A 34 98.623 -6.651 1.876 1.00 0.00 C ATOM 573 CG PHE A 34 97.238 -6.157 1.512 1.00 0.00 C ATOM 574 CD1 PHE A 34 96.721 -5.010 2.126 1.00 0.00 C ATOM 575 CD2 PHE A 34 96.478 -6.833 0.545 1.00 0.00 C ATOM 576 CE1 PHE A 34 95.450 -4.539 1.779 1.00 0.00 C ATOM 577 CE2 PHE A 34 95.205 -6.362 0.201 1.00 0.00 C ATOM 578 CZ PHE A 34 94.691 -5.215 0.816 1.00 0.00 C ATOM 0 H PHE A 34 97.075 -8.931 2.405 1.00 0.00 H new ATOM 0 HA PHE A 34 99.566 -7.696 3.521 1.00 0.00 H new ATOM 0 HB2 PHE A 34 99.276 -5.802 2.078 1.00 0.00 H new ATOM 0 HB3 PHE A 34 99.055 -7.192 1.034 1.00 0.00 H new ATOM 0 HD1 PHE A 34 97.305 -4.487 2.869 1.00 0.00 H new ATOM 0 HD2 PHE A 34 96.875 -7.716 0.066 1.00 0.00 H new ATOM 0 HE1 PHE A 34 95.054 -3.654 2.254 1.00 0.00 H new ATOM 0 HE2 PHE A 34 94.619 -6.885 -0.540 1.00 0.00 H new ATOM 0 HZ PHE A 34 93.710 -4.852 0.548 1.00 0.00 H new ATOM 588 N GLN A 35 98.326 -6.410 5.215 1.00 0.00 N ATOM 589 CA GLN A 35 97.581 -5.743 6.318 1.00 0.00 C ATOM 590 C GLN A 35 97.845 -4.240 6.239 1.00 0.00 C ATOM 591 O GLN A 35 98.974 -3.803 6.131 1.00 0.00 O ATOM 592 CB GLN A 35 98.068 -6.271 7.672 1.00 0.00 C ATOM 593 CG GLN A 35 97.577 -5.351 8.795 1.00 0.00 C ATOM 594 CD GLN A 35 98.247 -5.749 10.112 1.00 0.00 C ATOM 595 OE1 GLN A 35 98.075 -6.855 10.584 1.00 0.00 O ATOM 596 NE2 GLN A 35 99.009 -4.889 10.729 1.00 0.00 N ATOM 0 H GLN A 35 99.339 -6.422 5.330 1.00 0.00 H new ATOM 0 HA GLN A 35 96.515 -5.949 6.220 1.00 0.00 H new ATOM 0 HB2 GLN A 35 97.699 -7.284 7.832 1.00 0.00 H new ATOM 0 HB3 GLN A 35 99.157 -6.323 7.682 1.00 0.00 H new ATOM 0 HG2 GLN A 35 97.809 -4.313 8.556 1.00 0.00 H new ATOM 0 HG3 GLN A 35 96.493 -5.422 8.890 1.00 0.00 H new ATOM 0 HE21 GLN A 35 99.154 -3.960 10.333 1.00 0.00 H new ATOM 0 HE22 GLN A 35 99.460 -5.145 11.607 1.00 0.00 H new ATOM 605 N ILE A 36 96.817 -3.450 6.292 1.00 0.00 N ATOM 606 CA ILE A 36 97.003 -1.974 6.220 1.00 0.00 C ATOM 607 C ILE A 36 96.613 -1.387 7.580 1.00 0.00 C ATOM 608 O ILE A 36 95.811 -1.968 8.261 1.00 0.00 O ATOM 609 CB ILE A 36 96.081 -1.440 5.108 1.00 0.00 C ATOM 610 CG1 ILE A 36 96.772 -1.605 3.755 1.00 0.00 C ATOM 611 CG2 ILE A 36 95.743 0.037 5.324 1.00 0.00 C ATOM 612 CD1 ILE A 36 95.743 -1.447 2.635 1.00 0.00 C ATOM 0 H ILE A 36 95.850 -3.761 6.383 1.00 0.00 H new ATOM 0 HA ILE A 36 98.033 -1.699 5.994 1.00 0.00 H new ATOM 0 HB ILE A 36 95.153 -2.011 5.133 1.00 0.00 H new ATOM 0 HG12 ILE A 36 97.562 -0.862 3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 36 97.245 -2.585 3.693 1.00 0.00 H new ATOM 0 HG21 ILE A 36 95.091 0.382 4.522 1.00 0.00 H new ATOM 0 HG22 ILE A 36 95.236 0.158 6.281 1.00 0.00 H new ATOM 0 HG23 ILE A 36 96.661 0.624 5.323 1.00 0.00 H new ATOM 0 HD11 ILE A 36 96.235 -1.565 1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 36 94.969 -2.207 2.742 1.00 0.00 H new ATOM 0 HD13 ILE A 36 95.291 -0.457 2.694 1.00 0.00 H new ATOM 624 N PRO A 37 97.189 -0.269 7.951 1.00 0.00 N ATOM 625 CA PRO A 37 96.874 0.390 9.234 1.00 0.00 C ATOM 626 C PRO A 37 95.627 1.271 9.097 1.00 0.00 C ATOM 627 O PRO A 37 94.851 1.396 10.021 1.00 0.00 O ATOM 628 CB PRO A 37 98.108 1.231 9.513 1.00 0.00 C ATOM 629 CG PRO A 37 98.793 1.475 8.142 1.00 0.00 C ATOM 630 CD PRO A 37 98.224 0.424 7.162 1.00 0.00 C ATOM 0 HA PRO A 37 96.655 -0.315 10.035 1.00 0.00 H new ATOM 0 HB2 PRO A 37 97.836 2.175 9.984 1.00 0.00 H new ATOM 0 HB3 PRO A 37 98.782 0.716 10.197 1.00 0.00 H new ATOM 0 HG2 PRO A 37 98.592 2.485 7.784 1.00 0.00 H new ATOM 0 HG3 PRO A 37 99.875 1.377 8.228 1.00 0.00 H new ATOM 0 HD2 PRO A 37 97.802 0.893 6.273 1.00 0.00 H new ATOM 0 HD3 PRO A 37 98.997 -0.266 6.822 1.00 0.00 H new ATOM 638 N TRP A 38 95.407 1.856 7.947 1.00 0.00 N ATOM 639 CA TRP A 38 94.180 2.688 7.762 1.00 0.00 C ATOM 640 C TRP A 38 94.273 3.949 8.619 1.00 0.00 C ATOM 641 O TRP A 38 93.292 4.426 9.156 1.00 0.00 O ATOM 642 CB TRP A 38 92.977 1.844 8.173 1.00 0.00 C ATOM 643 CG TRP A 38 93.119 0.533 7.482 1.00 0.00 C ATOM 644 CD1 TRP A 38 93.832 -0.521 7.935 1.00 0.00 C ATOM 645 CD2 TRP A 38 92.575 0.134 6.202 1.00 0.00 C ATOM 646 NE1 TRP A 38 93.775 -1.533 6.993 1.00 0.00 N ATOM 647 CE2 TRP A 38 93.000 -1.176 5.917 1.00 0.00 C ATOM 648 CE3 TRP A 38 91.760 0.779 5.269 1.00 0.00 C ATOM 649 CZ2 TRP A 38 92.632 -1.819 4.745 1.00 0.00 C ATOM 650 CZ3 TRP A 38 91.382 0.140 4.097 1.00 0.00 C ATOM 651 CH2 TRP A 38 91.818 -1.159 3.829 1.00 0.00 C ATOM 0 H TRP A 38 96.019 1.794 7.134 1.00 0.00 H new ATOM 0 HA TRP A 38 94.078 2.998 6.722 1.00 0.00 H new ATOM 0 HB2 TRP A 38 92.949 1.711 9.254 1.00 0.00 H new ATOM 0 HB3 TRP A 38 92.045 2.333 7.888 1.00 0.00 H new ATOM 0 HD1 TRP A 38 94.359 -0.566 8.876 1.00 0.00 H new ATOM 0 HE1 TRP A 38 94.249 -2.431 7.086 1.00 0.00 H new ATOM 0 HE3 TRP A 38 91.420 1.786 5.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 92.974 -2.824 4.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 90.747 0.650 3.388 1.00 0.00 H new ATOM 0 HH2 TRP A 38 91.524 -1.650 2.913 1.00 0.00 H new ATOM 662 N MET A 39 95.451 4.494 8.747 1.00 0.00 N ATOM 663 CA MET A 39 95.626 5.728 9.562 1.00 0.00 C ATOM 664 C MET A 39 95.132 5.486 10.988 1.00 0.00 C ATOM 665 O MET A 39 94.741 4.394 11.349 1.00 0.00 O ATOM 666 CB MET A 39 94.820 6.875 8.945 1.00 0.00 C ATOM 667 CG MET A 39 94.874 6.787 7.418 1.00 0.00 C ATOM 668 SD MET A 39 94.021 8.214 6.704 1.00 0.00 S ATOM 669 CE MET A 39 92.555 8.162 7.766 1.00 0.00 C ATOM 0 H MET A 39 96.305 4.135 8.319 1.00 0.00 H new ATOM 0 HA MET A 39 96.684 5.989 9.581 1.00 0.00 H new ATOM 0 HB2 MET A 39 93.785 6.828 9.284 1.00 0.00 H new ATOM 0 HB3 MET A 39 95.221 7.833 9.277 1.00 0.00 H new ATOM 0 HG2 MET A 39 95.910 6.762 7.080 1.00 0.00 H new ATOM 0 HG3 MET A 39 94.406 5.863 7.079 1.00 0.00 H new ATOM 0 HE1 MET A 39 91.727 8.666 7.268 1.00 0.00 H new ATOM 0 HE2 MET A 39 92.284 7.124 7.961 1.00 0.00 H new ATOM 0 HE3 MET A 39 92.771 8.664 8.709 1.00 0.00 H new ATOM 679 N HIS A 40 95.145 6.509 11.794 1.00 0.00 N ATOM 680 CA HIS A 40 94.675 6.376 13.198 1.00 0.00 C ATOM 681 C HIS A 40 93.913 7.645 13.580 1.00 0.00 C ATOM 682 O HIS A 40 94.162 8.246 14.606 1.00 0.00 O ATOM 683 CB HIS A 40 95.878 6.201 14.126 1.00 0.00 C ATOM 684 CG HIS A 40 95.870 4.812 14.703 1.00 0.00 C ATOM 685 ND1 HIS A 40 95.429 4.549 15.990 1.00 0.00 N ATOM 686 CD2 HIS A 40 96.250 3.600 14.181 1.00 0.00 C ATOM 687 CE1 HIS A 40 95.551 3.225 16.198 1.00 0.00 C ATOM 688 NE2 HIS A 40 96.046 2.599 15.127 1.00 0.00 N ATOM 0 H HIS A 40 95.465 7.442 11.536 1.00 0.00 H new ATOM 0 HA HIS A 40 94.023 5.508 13.293 1.00 0.00 H new ATOM 0 HB2 HIS A 40 96.803 6.372 13.575 1.00 0.00 H new ATOM 0 HB3 HIS A 40 95.843 6.939 14.927 1.00 0.00 H new ATOM 0 HD2 HIS A 40 96.647 3.447 13.188 1.00 0.00 H new ATOM 0 HE1 HIS A 40 95.281 2.729 17.119 1.00 0.00 H new ATOM 0 HE2 HIS A 40 96.234 1.602 15.024 1.00 0.00 H new ATOM 696 N ALA A 41 92.991 8.056 12.748 1.00 0.00 N ATOM 697 CA ALA A 41 92.201 9.290 13.034 1.00 0.00 C ATOM 698 C ALA A 41 92.996 10.526 12.599 1.00 0.00 C ATOM 699 O ALA A 41 93.633 11.182 13.400 1.00 0.00 O ATOM 700 CB ALA A 41 91.892 9.375 14.530 1.00 0.00 C ATOM 0 H ALA A 41 92.750 7.585 11.876 1.00 0.00 H new ATOM 0 HA ALA A 41 91.264 9.251 12.478 1.00 0.00 H new ATOM 0 HB1 ALA A 41 91.315 10.278 14.732 1.00 0.00 H new ATOM 0 HB2 ALA A 41 91.315 8.501 14.833 1.00 0.00 H new ATOM 0 HB3 ALA A 41 92.825 9.407 15.093 1.00 0.00 H new ATOM 706 N ALA A 42 92.957 10.848 11.333 1.00 0.00 N ATOM 707 CA ALA A 42 93.698 12.043 10.832 1.00 0.00 C ATOM 708 C ALA A 42 93.262 13.280 11.617 1.00 0.00 C ATOM 709 O ALA A 42 92.131 13.370 12.054 1.00 0.00 O ATOM 710 CB ALA A 42 93.363 12.258 9.350 1.00 0.00 C ATOM 0 H ALA A 42 92.441 10.332 10.621 1.00 0.00 H new ATOM 0 HA ALA A 42 94.769 11.884 10.957 1.00 0.00 H new ATOM 0 HB1 ALA A 42 93.901 13.130 8.978 1.00 0.00 H new ATOM 0 HB2 ALA A 42 93.659 11.378 8.779 1.00 0.00 H new ATOM 0 HB3 ALA A 42 92.291 12.419 9.239 1.00 0.00 H new ATOM 716 N ARG A 43 94.136 14.246 11.786 1.00 0.00 N ATOM 717 CA ARG A 43 93.741 15.482 12.520 1.00 0.00 C ATOM 718 C ARG A 43 92.361 15.893 12.020 1.00 0.00 C ATOM 719 O ARG A 43 91.511 16.331 12.771 1.00 0.00 O ATOM 720 CB ARG A 43 94.751 16.594 12.231 1.00 0.00 C ATOM 721 CG ARG A 43 94.260 17.901 12.851 1.00 0.00 C ATOM 722 CD ARG A 43 95.117 18.238 14.071 1.00 0.00 C ATOM 723 NE ARG A 43 94.232 18.561 15.225 1.00 0.00 N ATOM 724 CZ ARG A 43 93.487 19.633 15.201 1.00 0.00 C ATOM 725 NH1 ARG A 43 93.514 20.428 14.164 1.00 0.00 N ATOM 726 NH2 ARG A 43 92.714 19.912 16.215 1.00 0.00 N ATOM 0 H ARG A 43 95.098 14.228 11.448 1.00 0.00 H new ATOM 0 HA ARG A 43 93.720 15.304 13.595 1.00 0.00 H new ATOM 0 HB2 ARG A 43 95.726 16.329 12.639 1.00 0.00 H new ATOM 0 HB3 ARG A 43 94.878 16.714 11.155 1.00 0.00 H new ATOM 0 HG2 ARG A 43 94.316 18.707 12.119 1.00 0.00 H new ATOM 0 HG3 ARG A 43 93.214 17.808 13.142 1.00 0.00 H new ATOM 0 HD2 ARG A 43 95.763 17.396 14.319 1.00 0.00 H new ATOM 0 HD3 ARG A 43 95.767 19.084 13.850 1.00 0.00 H new ATOM 0 HE ARG A 43 94.208 17.943 16.036 1.00 0.00 H new ATOM 0 HH11 ARG A 43 94.118 20.212 13.371 1.00 0.00 H new ATOM 0 HH12 ARG A 43 92.931 21.265 14.148 1.00 0.00 H new ATOM 0 HH21 ARG A 43 92.692 19.293 17.025 1.00 0.00 H new ATOM 0 HH22 ARG A 43 92.132 20.749 16.197 1.00 0.00 H new ATOM 740 N HIS A 44 92.128 15.702 10.752 1.00 0.00 N ATOM 741 CA HIS A 44 90.799 16.019 10.176 1.00 0.00 C ATOM 742 C HIS A 44 90.032 14.702 10.067 1.00 0.00 C ATOM 743 O HIS A 44 88.877 14.604 10.428 1.00 0.00 O ATOM 744 CB HIS A 44 90.963 16.650 8.798 1.00 0.00 C ATOM 745 CG HIS A 44 90.874 18.139 8.950 1.00 0.00 C ATOM 746 ND1 HIS A 44 90.007 18.910 8.198 1.00 0.00 N ATOM 747 CD2 HIS A 44 91.517 19.006 9.794 1.00 0.00 C ATOM 748 CE1 HIS A 44 90.147 20.184 8.605 1.00 0.00 C ATOM 749 NE2 HIS A 44 91.056 20.299 9.575 1.00 0.00 N ATOM 0 H HIS A 44 92.810 15.336 10.087 1.00 0.00 H new ATOM 0 HA HIS A 44 90.261 16.728 10.805 1.00 0.00 H new ATOM 0 HB2 HIS A 44 91.922 16.369 8.363 1.00 0.00 H new ATOM 0 HB3 HIS A 44 90.188 16.290 8.121 1.00 0.00 H new ATOM 0 HD2 HIS A 44 92.268 18.727 10.519 1.00 0.00 H new ATOM 0 HE1 HIS A 44 89.591 21.014 8.196 1.00 0.00 H new ATOM 0 HE2 HIS A 44 91.349 21.151 10.053 1.00 0.00 H new ATOM 757 N GLY A 45 90.698 13.673 9.608 1.00 0.00 N ATOM 758 CA GLY A 45 90.045 12.336 9.514 1.00 0.00 C ATOM 759 C GLY A 45 90.114 11.765 8.092 1.00 0.00 C ATOM 760 O GLY A 45 89.294 10.948 7.724 1.00 0.00 O ATOM 0 H GLY A 45 91.668 13.703 9.294 1.00 0.00 H new ATOM 0 HA2 GLY A 45 90.528 11.646 10.206 1.00 0.00 H new ATOM 0 HA3 GLY A 45 89.003 12.418 9.822 1.00 0.00 H new ATOM 764 N TRP A 46 91.061 12.155 7.274 1.00 0.00 N ATOM 765 CA TRP A 46 91.082 11.571 5.895 1.00 0.00 C ATOM 766 C TRP A 46 92.404 11.826 5.177 1.00 0.00 C ATOM 767 O TRP A 46 92.455 11.807 3.966 1.00 0.00 O ATOM 768 CB TRP A 46 89.964 12.187 5.057 1.00 0.00 C ATOM 769 CG TRP A 46 89.581 13.488 5.661 1.00 0.00 C ATOM 770 CD1 TRP A 46 90.182 14.671 5.421 1.00 0.00 C ATOM 771 CD2 TRP A 46 88.544 13.739 6.635 1.00 0.00 C ATOM 772 NE1 TRP A 46 89.571 15.638 6.192 1.00 0.00 N ATOM 773 CE2 TRP A 46 88.545 15.111 6.954 1.00 0.00 C ATOM 774 CE3 TRP A 46 87.610 12.905 7.257 1.00 0.00 C ATOM 775 CZ2 TRP A 46 87.640 15.646 7.872 1.00 0.00 C ATOM 776 CZ3 TRP A 46 86.694 13.433 8.182 1.00 0.00 C ATOM 777 CH2 TRP A 46 86.708 14.803 8.488 1.00 0.00 C ATOM 0 H TRP A 46 91.797 12.828 7.489 1.00 0.00 H new ATOM 0 HA TRP A 46 90.947 10.495 6.005 1.00 0.00 H new ATOM 0 HB2 TRP A 46 90.297 12.331 4.029 1.00 0.00 H new ATOM 0 HB3 TRP A 46 89.104 11.518 5.023 1.00 0.00 H new ATOM 0 HD1 TRP A 46 91.004 14.834 4.740 1.00 0.00 H new ATOM 0 HE1 TRP A 46 89.843 16.621 6.199 1.00 0.00 H new ATOM 0 HE3 TRP A 46 87.593 11.850 7.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 87.659 16.700 8.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 85.976 12.782 8.660 1.00 0.00 H new ATOM 0 HH2 TRP A 46 86.001 15.206 9.198 1.00 0.00 H new ATOM 788 N ASP A 47 93.457 12.050 5.898 1.00 0.00 N ATOM 789 CA ASP A 47 94.788 12.300 5.247 1.00 0.00 C ATOM 790 C ASP A 47 95.692 13.054 6.218 1.00 0.00 C ATOM 791 O ASP A 47 96.114 14.164 5.961 1.00 0.00 O ATOM 792 CB ASP A 47 94.612 13.144 3.980 1.00 0.00 C ATOM 793 CG ASP A 47 95.975 13.630 3.485 1.00 0.00 C ATOM 794 OD1 ASP A 47 96.791 12.794 3.135 1.00 0.00 O ATOM 795 OD2 ASP A 47 96.182 14.833 3.464 1.00 0.00 O ATOM 0 H ASP A 47 93.465 12.073 6.918 1.00 0.00 H new ATOM 0 HA ASP A 47 95.234 11.341 4.982 1.00 0.00 H new ATOM 0 HB2 ASP A 47 94.123 12.554 3.205 1.00 0.00 H new ATOM 0 HB3 ASP A 47 93.965 13.997 4.187 1.00 0.00 H new ATOM 800 N VAL A 48 95.981 12.470 7.336 1.00 0.00 N ATOM 801 CA VAL A 48 96.843 13.158 8.322 1.00 0.00 C ATOM 802 C VAL A 48 97.507 12.116 9.215 1.00 0.00 C ATOM 803 O VAL A 48 97.650 12.302 10.407 1.00 0.00 O ATOM 804 CB VAL A 48 95.966 14.067 9.168 1.00 0.00 C ATOM 805 CG1 VAL A 48 96.837 14.932 10.076 1.00 0.00 C ATOM 806 CG2 VAL A 48 95.126 14.962 8.253 1.00 0.00 C ATOM 0 H VAL A 48 95.657 11.543 7.612 1.00 0.00 H new ATOM 0 HA VAL A 48 97.612 13.743 7.817 1.00 0.00 H new ATOM 0 HB VAL A 48 95.306 13.457 9.785 1.00 0.00 H new ATOM 0 HG11 VAL A 48 96.202 15.581 10.679 1.00 0.00 H new ATOM 0 HG12 VAL A 48 97.428 14.292 10.731 1.00 0.00 H new ATOM 0 HG13 VAL A 48 97.504 15.542 9.467 1.00 0.00 H new ATOM 0 HG21 VAL A 48 94.497 15.614 8.859 1.00 0.00 H new ATOM 0 HG22 VAL A 48 95.785 15.569 7.632 1.00 0.00 H new ATOM 0 HG23 VAL A 48 94.497 14.341 7.615 1.00 0.00 H new ATOM 816 N GLU A 49 97.899 11.012 8.649 1.00 0.00 N ATOM 817 CA GLU A 49 98.537 9.946 9.469 1.00 0.00 C ATOM 818 C GLU A 49 99.618 9.228 8.650 1.00 0.00 C ATOM 819 O GLU A 49 100.667 9.779 8.385 1.00 0.00 O ATOM 820 CB GLU A 49 97.459 8.956 9.918 1.00 0.00 C ATOM 821 CG GLU A 49 96.311 9.718 10.576 1.00 0.00 C ATOM 822 CD GLU A 49 96.775 10.282 11.922 1.00 0.00 C ATOM 823 OE1 GLU A 49 97.871 9.944 12.337 1.00 0.00 O ATOM 824 OE2 GLU A 49 96.026 11.041 12.515 1.00 0.00 O ATOM 0 H GLU A 49 97.806 10.801 7.656 1.00 0.00 H new ATOM 0 HA GLU A 49 99.011 10.387 10.346 1.00 0.00 H new ATOM 0 HB2 GLU A 49 97.091 8.390 9.062 1.00 0.00 H new ATOM 0 HB3 GLU A 49 97.881 8.236 10.619 1.00 0.00 H new ATOM 0 HG2 GLU A 49 95.978 10.527 9.926 1.00 0.00 H new ATOM 0 HG3 GLU A 49 95.458 9.056 10.722 1.00 0.00 H new ATOM 831 N LYS A 50 99.386 8.002 8.253 1.00 0.00 N ATOM 832 CA LYS A 50 100.418 7.272 7.469 1.00 0.00 C ATOM 833 C LYS A 50 99.886 6.963 6.068 1.00 0.00 C ATOM 834 O LYS A 50 100.626 6.948 5.106 1.00 0.00 O ATOM 835 CB LYS A 50 100.761 5.964 8.183 1.00 0.00 C ATOM 836 CG LYS A 50 100.664 6.166 9.698 1.00 0.00 C ATOM 837 CD LYS A 50 101.703 7.195 10.148 1.00 0.00 C ATOM 838 CE LYS A 50 102.194 6.845 11.553 1.00 0.00 C ATOM 839 NZ LYS A 50 103.162 7.881 12.016 1.00 0.00 N ATOM 0 H LYS A 50 98.529 7.480 8.439 1.00 0.00 H new ATOM 0 HA LYS A 50 101.311 7.891 7.383 1.00 0.00 H new ATOM 0 HB2 LYS A 50 100.079 5.175 7.867 1.00 0.00 H new ATOM 0 HB3 LYS A 50 101.767 5.643 7.912 1.00 0.00 H new ATOM 0 HG2 LYS A 50 99.663 6.504 9.966 1.00 0.00 H new ATOM 0 HG3 LYS A 50 100.829 5.219 10.212 1.00 0.00 H new ATOM 0 HD2 LYS A 50 102.541 7.209 9.452 1.00 0.00 H new ATOM 0 HD3 LYS A 50 101.267 8.194 10.142 1.00 0.00 H new ATOM 0 HE2 LYS A 50 101.350 6.788 12.241 1.00 0.00 H new ATOM 0 HE3 LYS A 50 102.669 5.864 11.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 103.495 7.642 12.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 103.972 7.915 11.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 102.694 8.810 12.035 1.00 0.00 H new ATOM 853 N ASP A 51 98.611 6.711 5.947 1.00 0.00 N ATOM 854 CA ASP A 51 98.039 6.398 4.606 1.00 0.00 C ATOM 855 C ASP A 51 97.685 7.701 3.884 1.00 0.00 C ATOM 856 O ASP A 51 97.002 7.702 2.879 1.00 0.00 O ATOM 857 CB ASP A 51 96.776 5.550 4.774 1.00 0.00 C ATOM 858 CG ASP A 51 97.128 4.247 5.494 1.00 0.00 C ATOM 859 OD1 ASP A 51 98.296 4.050 5.785 1.00 0.00 O ATOM 860 OD2 ASP A 51 96.222 3.469 5.744 1.00 0.00 O ATOM 0 H ASP A 51 97.942 6.708 6.717 1.00 0.00 H new ATOM 0 HA ASP A 51 98.773 5.845 4.020 1.00 0.00 H new ATOM 0 HB2 ASP A 51 96.028 6.102 5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 51 96.339 5.333 3.799 1.00 0.00 H new ATOM 865 N ALA A 52 98.141 8.809 4.399 1.00 0.00 N ATOM 866 CA ALA A 52 97.836 10.122 3.764 1.00 0.00 C ATOM 867 C ALA A 52 98.648 10.369 2.468 1.00 0.00 C ATOM 868 O ALA A 52 98.174 11.084 1.607 1.00 0.00 O ATOM 869 CB ALA A 52 98.137 11.238 4.762 1.00 0.00 C ATOM 0 H ALA A 52 98.717 8.861 5.239 1.00 0.00 H new ATOM 0 HA ALA A 52 96.782 10.112 3.487 1.00 0.00 H new ATOM 0 HB1 ALA A 52 97.917 12.203 4.306 1.00 0.00 H new ATOM 0 HB2 ALA A 52 97.520 11.107 5.651 1.00 0.00 H new ATOM 0 HB3 ALA A 52 99.190 11.201 5.043 1.00 0.00 H new ATOM 875 N PRO A 53 99.841 9.810 2.338 1.00 0.00 N ATOM 876 CA PRO A 53 100.662 10.033 1.130 1.00 0.00 C ATOM 877 C PRO A 53 100.100 9.256 -0.065 1.00 0.00 C ATOM 878 O PRO A 53 100.488 9.475 -1.196 1.00 0.00 O ATOM 879 CB PRO A 53 102.055 9.542 1.531 1.00 0.00 C ATOM 880 CG PRO A 53 101.851 8.579 2.721 1.00 0.00 C ATOM 881 CD PRO A 53 100.480 8.920 3.335 1.00 0.00 C ATOM 0 HA PRO A 53 100.675 11.075 0.811 1.00 0.00 H new ATOM 0 HB2 PRO A 53 102.542 9.034 0.699 1.00 0.00 H new ATOM 0 HB3 PRO A 53 102.695 10.378 1.813 1.00 0.00 H new ATOM 0 HG2 PRO A 53 101.879 7.541 2.389 1.00 0.00 H new ATOM 0 HG3 PRO A 53 102.646 8.699 3.457 1.00 0.00 H new ATOM 0 HD2 PRO A 53 99.886 8.022 3.504 1.00 0.00 H new ATOM 0 HD3 PRO A 53 100.589 9.417 4.299 1.00 0.00 H new ATOM 889 N LEU A 54 99.171 8.372 0.169 1.00 0.00 N ATOM 890 CA LEU A 54 98.565 7.610 -0.963 1.00 0.00 C ATOM 891 C LEU A 54 97.302 8.352 -1.354 1.00 0.00 C ATOM 892 O LEU A 54 97.116 8.780 -2.474 1.00 0.00 O ATOM 893 CB LEU A 54 98.148 6.203 -0.520 1.00 0.00 C ATOM 894 CG LEU A 54 99.331 5.356 -0.032 1.00 0.00 C ATOM 895 CD1 LEU A 54 100.489 6.227 0.464 1.00 0.00 C ATOM 896 CD2 LEU A 54 98.833 4.491 1.118 1.00 0.00 C ATOM 0 H LEU A 54 98.804 8.143 1.093 1.00 0.00 H new ATOM 0 HA LEU A 54 99.286 7.526 -1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 54 97.411 6.283 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 54 97.662 5.694 -1.353 1.00 0.00 H new ATOM 0 HG LEU A 54 99.703 4.754 -0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 54 101.306 5.589 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 54 100.838 6.865 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 54 100.148 6.848 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 54 99.651 3.874 1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 54 98.466 5.130 1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 54 98.025 3.849 0.767 1.00 0.00 H new ATOM 908 N PHE A 55 96.448 8.516 -0.389 1.00 0.00 N ATOM 909 CA PHE A 55 95.176 9.243 -0.592 1.00 0.00 C ATOM 910 C PHE A 55 95.410 10.445 -1.515 1.00 0.00 C ATOM 911 O PHE A 55 94.515 10.895 -2.195 1.00 0.00 O ATOM 912 CB PHE A 55 94.714 9.730 0.776 1.00 0.00 C ATOM 913 CG PHE A 55 93.711 8.770 1.362 1.00 0.00 C ATOM 914 CD1 PHE A 55 92.642 8.310 0.589 1.00 0.00 C ATOM 915 CD2 PHE A 55 93.855 8.340 2.687 1.00 0.00 C ATOM 916 CE1 PHE A 55 91.715 7.419 1.140 1.00 0.00 C ATOM 917 CE2 PHE A 55 92.928 7.451 3.238 1.00 0.00 C ATOM 918 CZ PHE A 55 91.857 6.988 2.465 1.00 0.00 C ATOM 0 H PHE A 55 96.586 8.165 0.559 1.00 0.00 H new ATOM 0 HA PHE A 55 94.427 8.597 -1.049 1.00 0.00 H new ATOM 0 HB2 PHE A 55 95.570 9.825 1.444 1.00 0.00 H new ATOM 0 HB3 PHE A 55 94.269 10.721 0.686 1.00 0.00 H new ATOM 0 HD1 PHE A 55 92.531 8.642 -0.433 1.00 0.00 H new ATOM 0 HD2 PHE A 55 94.682 8.695 3.283 1.00 0.00 H new ATOM 0 HE1 PHE A 55 90.889 7.063 0.543 1.00 0.00 H new ATOM 0 HE2 PHE A 55 93.038 7.121 4.261 1.00 0.00 H new ATOM 0 HZ PHE A 55 91.141 6.300 2.890 1.00 0.00 H new ATOM 928 N ARG A 56 96.606 10.973 -1.538 1.00 0.00 N ATOM 929 CA ARG A 56 96.889 12.142 -2.419 1.00 0.00 C ATOM 930 C ARG A 56 97.202 11.640 -3.831 1.00 0.00 C ATOM 931 O ARG A 56 96.643 12.117 -4.798 1.00 0.00 O ATOM 932 CB ARG A 56 98.087 12.920 -1.870 1.00 0.00 C ATOM 933 CG ARG A 56 98.104 14.326 -2.471 1.00 0.00 C ATOM 934 CD ARG A 56 99.109 14.378 -3.624 1.00 0.00 C ATOM 935 NE ARG A 56 100.431 13.875 -3.156 1.00 0.00 N ATOM 936 CZ ARG A 56 101.338 13.512 -4.024 1.00 0.00 C ATOM 937 NH1 ARG A 56 101.091 13.589 -5.304 1.00 0.00 N ATOM 938 NH2 ARG A 56 102.496 13.072 -3.610 1.00 0.00 N ATOM 0 H ARG A 56 97.398 10.645 -0.985 1.00 0.00 H new ATOM 0 HA ARG A 56 96.020 12.800 -2.449 1.00 0.00 H new ATOM 0 HB2 ARG A 56 98.028 12.979 -0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 56 99.013 12.399 -2.111 1.00 0.00 H new ATOM 0 HG2 ARG A 56 97.109 14.591 -2.830 1.00 0.00 H new ATOM 0 HG3 ARG A 56 98.373 15.056 -1.707 1.00 0.00 H new ATOM 0 HD2 ARG A 56 98.753 13.773 -4.458 1.00 0.00 H new ATOM 0 HD3 ARG A 56 99.206 15.400 -3.990 1.00 0.00 H new ATOM 0 HE ARG A 56 100.628 13.814 -2.157 1.00 0.00 H new ATOM 0 HH11 ARG A 56 100.188 13.933 -5.629 1.00 0.00 H new ATOM 0 HH12 ARG A 56 101.801 13.305 -5.978 1.00 0.00 H new ATOM 0 HH21 ARG A 56 102.691 13.012 -2.611 1.00 0.00 H new ATOM 0 HH22 ARG A 56 103.205 12.788 -4.286 1.00 0.00 H new ATOM 952 N ASN A 57 98.079 10.675 -3.962 1.00 0.00 N ATOM 953 CA ASN A 57 98.394 10.149 -5.322 1.00 0.00 C ATOM 954 C ASN A 57 97.069 9.940 -6.060 1.00 0.00 C ATOM 955 O ASN A 57 96.985 10.050 -7.267 1.00 0.00 O ATOM 956 CB ASN A 57 99.187 8.833 -5.202 1.00 0.00 C ATOM 957 CG ASN A 57 98.261 7.617 -5.298 1.00 0.00 C ATOM 958 OD1 ASN A 57 97.601 7.416 -6.298 1.00 0.00 O ATOM 959 ND2 ASN A 57 98.190 6.793 -4.293 1.00 0.00 N ATOM 0 H ASN A 57 98.585 10.234 -3.194 1.00 0.00 H new ATOM 0 HA ASN A 57 99.013 10.851 -5.881 1.00 0.00 H new ATOM 0 HB2 ASN A 57 99.938 8.785 -5.991 1.00 0.00 H new ATOM 0 HB3 ASN A 57 99.721 8.813 -4.252 1.00 0.00 H new ATOM 0 HD21 ASN A 57 97.580 5.977 -4.344 1.00 0.00 H new ATOM 0 HD22 ASN A 57 98.745 6.963 -3.454 1.00 0.00 H new ATOM 966 N TRP A 58 96.025 9.676 -5.319 1.00 0.00 N ATOM 967 CA TRP A 58 94.685 9.498 -5.940 1.00 0.00 C ATOM 968 C TRP A 58 94.478 10.617 -6.955 1.00 0.00 C ATOM 969 O TRP A 58 95.201 11.592 -6.962 1.00 0.00 O ATOM 970 CB TRP A 58 93.614 9.650 -4.860 1.00 0.00 C ATOM 971 CG TRP A 58 93.097 8.323 -4.413 1.00 0.00 C ATOM 972 CD1 TRP A 58 91.790 7.982 -4.396 1.00 0.00 C ATOM 973 CD2 TRP A 58 93.827 7.171 -3.896 1.00 0.00 C ATOM 974 NE1 TRP A 58 91.667 6.697 -3.911 1.00 0.00 N ATOM 975 CE2 TRP A 58 92.893 6.154 -3.588 1.00 0.00 C ATOM 976 CE3 TRP A 58 95.190 6.908 -3.669 1.00 0.00 C ATOM 977 CZ2 TRP A 58 93.294 4.926 -3.071 1.00 0.00 C ATOM 978 CZ3 TRP A 58 95.595 5.666 -3.149 1.00 0.00 C ATOM 979 CH2 TRP A 58 94.649 4.680 -2.849 1.00 0.00 C ATOM 0 H TRP A 58 96.046 9.576 -4.304 1.00 0.00 H new ATOM 0 HA TRP A 58 94.619 8.518 -6.412 1.00 0.00 H new ATOM 0 HB2 TRP A 58 94.029 10.186 -4.007 1.00 0.00 H new ATOM 0 HB3 TRP A 58 92.791 10.252 -5.245 1.00 0.00 H new ATOM 0 HD1 TRP A 58 90.973 8.614 -4.711 1.00 0.00 H new ATOM 0 HE1 TRP A 58 90.778 6.208 -3.804 1.00 0.00 H new ATOM 0 HE3 TRP A 58 95.928 7.663 -3.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 92.560 4.167 -2.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 96.644 5.472 -2.980 1.00 0.00 H new ATOM 0 HH2 TRP A 58 94.967 3.730 -2.446 1.00 0.00 H new ATOM 990 N ALA A 59 93.485 10.515 -7.786 1.00 0.00 N ATOM 991 CA ALA A 59 93.238 11.609 -8.759 1.00 0.00 C ATOM 992 C ALA A 59 94.412 11.719 -9.739 1.00 0.00 C ATOM 993 O ALA A 59 94.494 12.648 -10.518 1.00 0.00 O ATOM 994 CB ALA A 59 93.097 12.919 -7.977 1.00 0.00 C ATOM 0 H ALA A 59 92.838 9.728 -7.835 1.00 0.00 H new ATOM 0 HA ALA A 59 92.331 11.404 -9.328 1.00 0.00 H new ATOM 0 HB1 ALA A 59 92.915 13.739 -8.671 1.00 0.00 H new ATOM 0 HB2 ALA A 59 92.261 12.840 -7.282 1.00 0.00 H new ATOM 0 HB3 ALA A 59 94.015 13.111 -7.421 1.00 0.00 H new ATOM 1000 N ILE A 60 95.320 10.780 -9.709 1.00 0.00 N ATOM 1001 CA ILE A 60 96.483 10.839 -10.640 1.00 0.00 C ATOM 1002 C ILE A 60 96.855 9.420 -11.078 1.00 0.00 C ATOM 1003 O ILE A 60 96.774 9.076 -12.241 1.00 0.00 O ATOM 1004 CB ILE A 60 97.677 11.479 -9.928 1.00 0.00 C ATOM 1005 CG1 ILE A 60 97.199 12.680 -9.108 1.00 0.00 C ATOM 1006 CG2 ILE A 60 98.701 11.945 -10.963 1.00 0.00 C ATOM 1007 CD1 ILE A 60 96.789 13.813 -10.050 1.00 0.00 C ATOM 0 H ILE A 60 95.306 9.976 -9.081 1.00 0.00 H new ATOM 0 HA ILE A 60 96.219 11.435 -11.514 1.00 0.00 H new ATOM 0 HB ILE A 60 98.138 10.746 -9.266 1.00 0.00 H new ATOM 0 HG12 ILE A 60 96.356 12.392 -8.480 1.00 0.00 H new ATOM 0 HG13 ILE A 60 97.993 13.017 -8.441 1.00 0.00 H new ATOM 0 HG21 ILE A 60 99.551 12.401 -10.455 1.00 0.00 H new ATOM 0 HG22 ILE A 60 99.043 11.090 -11.547 1.00 0.00 H new ATOM 0 HG23 ILE A 60 98.240 12.677 -11.627 1.00 0.00 H new ATOM 0 HD11 ILE A 60 96.449 14.667 -9.465 1.00 0.00 H new ATOM 0 HD12 ILE A 60 97.644 14.107 -10.659 1.00 0.00 H new ATOM 0 HD13 ILE A 60 95.982 13.473 -10.698 1.00 0.00 H new ATOM 1019 N HIS A 61 97.260 8.596 -10.153 1.00 0.00 N ATOM 1020 CA HIS A 61 97.636 7.198 -10.505 1.00 0.00 C ATOM 1021 C HIS A 61 96.436 6.500 -11.151 1.00 0.00 C ATOM 1022 O HIS A 61 96.456 6.154 -12.315 1.00 0.00 O ATOM 1023 CB HIS A 61 98.051 6.457 -9.226 1.00 0.00 C ATOM 1024 CG HIS A 61 97.930 4.968 -9.419 1.00 0.00 C ATOM 1025 ND1 HIS A 61 98.581 4.299 -10.444 1.00 0.00 N ATOM 1026 CD2 HIS A 61 97.232 4.007 -8.729 1.00 0.00 C ATOM 1027 CE1 HIS A 61 98.265 2.995 -10.342 1.00 0.00 C ATOM 1028 NE2 HIS A 61 97.446 2.762 -9.313 1.00 0.00 N ATOM 0 H HIS A 61 97.347 8.831 -9.164 1.00 0.00 H new ATOM 0 HA HIS A 61 98.468 7.198 -11.209 1.00 0.00 H new ATOM 0 HB2 HIS A 61 99.078 6.714 -8.966 1.00 0.00 H new ATOM 0 HB3 HIS A 61 97.423 6.775 -8.394 1.00 0.00 H new ATOM 0 HD1 HIS A 61 99.189 4.719 -11.147 1.00 0.00 H new ATOM 0 HD2 HIS A 61 96.611 4.190 -7.864 1.00 0.00 H new ATOM 0 HE1 HIS A 61 98.629 2.230 -11.011 1.00 0.00 H new ATOM 1036 N THR A 62 95.394 6.285 -10.399 1.00 0.00 N ATOM 1037 CA THR A 62 94.195 5.604 -10.962 1.00 0.00 C ATOM 1038 C THR A 62 93.881 6.174 -12.349 1.00 0.00 C ATOM 1039 O THR A 62 93.456 5.465 -13.240 1.00 0.00 O ATOM 1040 CB THR A 62 92.997 5.825 -10.033 1.00 0.00 C ATOM 1041 OG1 THR A 62 92.456 7.120 -10.258 1.00 0.00 O ATOM 1042 CG2 THR A 62 93.447 5.702 -8.576 1.00 0.00 C ATOM 0 H THR A 62 95.320 6.552 -9.417 1.00 0.00 H new ATOM 0 HA THR A 62 94.395 4.536 -11.049 1.00 0.00 H new ATOM 0 HB THR A 62 92.235 5.073 -10.239 1.00 0.00 H new ATOM 0 HG1 THR A 62 91.920 7.390 -9.483 1.00 0.00 H new ATOM 0 HG21 THR A 62 92.593 5.860 -7.917 1.00 0.00 H new ATOM 0 HG22 THR A 62 93.859 4.707 -8.405 1.00 0.00 H new ATOM 0 HG23 THR A 62 94.210 6.451 -8.366 1.00 0.00 H new ATOM 1050 N GLY A 63 94.087 7.449 -12.542 1.00 0.00 N ATOM 1051 CA GLY A 63 93.798 8.057 -13.872 1.00 0.00 C ATOM 1052 C GLY A 63 92.348 8.541 -13.909 1.00 0.00 C ATOM 1053 O GLY A 63 91.610 8.252 -14.829 1.00 0.00 O ATOM 0 H GLY A 63 94.442 8.095 -11.837 1.00 0.00 H new ATOM 0 HA2 GLY A 63 94.475 8.891 -14.057 1.00 0.00 H new ATOM 0 HA3 GLY A 63 93.969 7.326 -14.662 1.00 0.00 H new ATOM 1057 N LYS A 64 91.934 9.277 -12.914 1.00 0.00 N ATOM 1058 CA LYS A 64 90.532 9.777 -12.892 1.00 0.00 C ATOM 1059 C LYS A 64 90.519 11.237 -12.438 1.00 0.00 C ATOM 1060 O LYS A 64 89.688 11.643 -11.651 1.00 0.00 O ATOM 1061 CB LYS A 64 89.705 8.933 -11.918 1.00 0.00 C ATOM 1062 CG LYS A 64 89.373 7.585 -12.561 1.00 0.00 C ATOM 1063 CD LYS A 64 89.963 6.453 -11.716 1.00 0.00 C ATOM 1064 CE LYS A 64 89.075 5.213 -11.832 1.00 0.00 C ATOM 1065 NZ LYS A 64 89.215 4.627 -13.196 1.00 0.00 N ATOM 0 H LYS A 64 92.506 9.553 -12.116 1.00 0.00 H new ATOM 0 HA LYS A 64 90.104 9.703 -13.892 1.00 0.00 H new ATOM 0 HB2 LYS A 64 90.260 8.779 -10.993 1.00 0.00 H new ATOM 0 HB3 LYS A 64 88.787 9.458 -11.655 1.00 0.00 H new ATOM 0 HG2 LYS A 64 88.293 7.466 -12.643 1.00 0.00 H new ATOM 0 HG3 LYS A 64 89.776 7.545 -13.573 1.00 0.00 H new ATOM 0 HD2 LYS A 64 90.974 6.222 -12.053 1.00 0.00 H new ATOM 0 HD3 LYS A 64 90.038 6.764 -10.674 1.00 0.00 H new ATOM 0 HE2 LYS A 64 89.358 4.478 -11.078 1.00 0.00 H new ATOM 0 HE3 LYS A 64 88.035 5.479 -11.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 88.651 3.756 -13.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 88.877 5.310 -13.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 90.215 4.406 -13.378 1.00 0.00 H new ATOM 1079 N HIS A 65 91.433 12.034 -12.923 1.00 0.00 N ATOM 1080 CA HIS A 65 91.462 13.465 -12.510 1.00 0.00 C ATOM 1081 C HIS A 65 92.776 14.112 -12.968 1.00 0.00 C ATOM 1082 O HIS A 65 93.734 13.441 -13.297 1.00 0.00 O ATOM 1083 CB HIS A 65 91.342 13.552 -10.979 1.00 0.00 C ATOM 1084 CG HIS A 65 91.854 14.885 -10.498 1.00 0.00 C ATOM 1085 ND1 HIS A 65 91.054 16.015 -10.452 1.00 0.00 N ATOM 1086 CD2 HIS A 65 93.093 15.284 -10.058 1.00 0.00 C ATOM 1087 CE1 HIS A 65 91.815 17.031 -10.005 1.00 0.00 C ATOM 1088 NE2 HIS A 65 93.065 16.639 -9.749 1.00 0.00 N ATOM 0 H HIS A 65 92.158 11.757 -13.585 1.00 0.00 H new ATOM 0 HA HIS A 65 90.628 13.995 -12.971 1.00 0.00 H new ATOM 0 HB2 HIS A 65 90.302 13.423 -10.679 1.00 0.00 H new ATOM 0 HB3 HIS A 65 91.910 12.746 -10.515 1.00 0.00 H new ATOM 0 HD2 HIS A 65 93.957 14.643 -9.966 1.00 0.00 H new ATOM 0 HE1 HIS A 65 91.458 18.041 -9.870 1.00 0.00 H new ATOM 0 HE2 HIS A 65 93.835 17.211 -9.401 1.00 0.00 H new ATOM 1096 N GLN A 66 92.820 15.416 -12.975 1.00 0.00 N ATOM 1097 CA GLN A 66 94.058 16.131 -13.392 1.00 0.00 C ATOM 1098 C GLN A 66 94.137 17.456 -12.625 1.00 0.00 C ATOM 1099 O GLN A 66 93.151 18.156 -12.510 1.00 0.00 O ATOM 1100 CB GLN A 66 94.012 16.413 -14.896 1.00 0.00 C ATOM 1101 CG GLN A 66 94.703 15.276 -15.651 1.00 0.00 C ATOM 1102 CD GLN A 66 93.650 14.383 -16.310 1.00 0.00 C ATOM 1103 OE1 GLN A 66 93.694 13.176 -16.182 1.00 0.00 O ATOM 1104 NE2 GLN A 66 92.697 14.930 -17.017 1.00 0.00 N ATOM 0 H GLN A 66 92.044 16.021 -12.707 1.00 0.00 H new ATOM 0 HA GLN A 66 94.932 15.517 -13.174 1.00 0.00 H new ATOM 0 HB2 GLN A 66 92.978 16.508 -15.227 1.00 0.00 H new ATOM 0 HB3 GLN A 66 94.505 17.361 -15.114 1.00 0.00 H new ATOM 0 HG2 GLN A 66 95.374 15.683 -16.407 1.00 0.00 H new ATOM 0 HG3 GLN A 66 95.314 14.689 -14.965 1.00 0.00 H new ATOM 0 HE21 GLN A 66 92.660 15.944 -17.125 1.00 0.00 H new ATOM 0 HE22 GLN A 66 91.991 14.343 -17.461 1.00 0.00 H new ATOM 1113 N PRO A 67 95.301 17.758 -12.110 1.00 0.00 N ATOM 1114 CA PRO A 67 95.523 18.991 -11.333 1.00 0.00 C ATOM 1115 C PRO A 67 95.665 20.202 -12.261 1.00 0.00 C ATOM 1116 O PRO A 67 95.393 21.323 -11.877 1.00 0.00 O ATOM 1117 CB PRO A 67 96.832 18.714 -10.590 1.00 0.00 C ATOM 1118 CG PRO A 67 97.567 17.615 -11.395 1.00 0.00 C ATOM 1119 CD PRO A 67 96.499 16.907 -12.250 1.00 0.00 C ATOM 0 HA PRO A 67 94.697 19.226 -10.662 1.00 0.00 H new ATOM 0 HB2 PRO A 67 97.439 19.617 -10.522 1.00 0.00 H new ATOM 0 HB3 PRO A 67 96.637 18.383 -9.570 1.00 0.00 H new ATOM 0 HG2 PRO A 67 98.342 18.050 -12.026 1.00 0.00 H new ATOM 0 HG3 PRO A 67 98.059 16.909 -10.726 1.00 0.00 H new ATOM 0 HD2 PRO A 67 96.811 16.827 -13.291 1.00 0.00 H new ATOM 0 HD3 PRO A 67 96.312 15.894 -11.895 1.00 0.00 H new ATOM 1127 N GLY A 68 96.087 19.990 -13.477 1.00 0.00 N ATOM 1128 CA GLY A 68 96.242 21.134 -14.420 1.00 0.00 C ATOM 1129 C GLY A 68 94.888 21.454 -15.055 1.00 0.00 C ATOM 1130 O GLY A 68 94.702 22.496 -15.652 1.00 0.00 O ATOM 0 H GLY A 68 96.331 19.076 -13.858 1.00 0.00 H new ATOM 0 HA2 GLY A 68 96.624 22.007 -13.891 1.00 0.00 H new ATOM 0 HA3 GLY A 68 96.970 20.887 -15.193 1.00 0.00 H new ATOM 1134 N ILE A 69 93.942 20.565 -14.930 1.00 0.00 N ATOM 1135 CA ILE A 69 92.600 20.814 -15.526 1.00 0.00 C ATOM 1136 C ILE A 69 91.583 21.048 -14.404 1.00 0.00 C ATOM 1137 O ILE A 69 91.332 22.167 -14.003 1.00 0.00 O ATOM 1138 CB ILE A 69 92.183 19.600 -16.362 1.00 0.00 C ATOM 1139 CG1 ILE A 69 92.949 19.609 -17.687 1.00 0.00 C ATOM 1140 CG2 ILE A 69 90.679 19.657 -16.647 1.00 0.00 C ATOM 1141 CD1 ILE A 69 94.258 18.835 -17.525 1.00 0.00 C ATOM 0 H ILE A 69 94.041 19.676 -14.440 1.00 0.00 H new ATOM 0 HA ILE A 69 92.638 21.695 -16.167 1.00 0.00 H new ATOM 0 HB ILE A 69 92.411 18.688 -15.810 1.00 0.00 H new ATOM 0 HG12 ILE A 69 92.343 19.158 -18.473 1.00 0.00 H new ATOM 0 HG13 ILE A 69 93.156 20.635 -17.993 1.00 0.00 H new ATOM 0 HG21 ILE A 69 90.388 18.791 -17.242 1.00 0.00 H new ATOM 0 HG22 ILE A 69 90.130 19.651 -15.705 1.00 0.00 H new ATOM 0 HG23 ILE A 69 90.447 20.569 -17.197 1.00 0.00 H new ATOM 0 HD11 ILE A 69 94.804 18.841 -18.469 1.00 0.00 H new ATOM 0 HD12 ILE A 69 94.865 19.305 -16.752 1.00 0.00 H new ATOM 0 HD13 ILE A 69 94.039 17.806 -17.239 1.00 0.00 H new ATOM 1153 N ASP A 70 90.991 19.999 -13.901 1.00 0.00 N ATOM 1154 CA ASP A 70 89.986 20.160 -12.811 1.00 0.00 C ATOM 1155 C ASP A 70 90.698 20.372 -11.472 1.00 0.00 C ATOM 1156 O ASP A 70 91.848 20.017 -11.305 1.00 0.00 O ATOM 1157 CB ASP A 70 89.121 18.902 -12.733 1.00 0.00 C ATOM 1158 CG ASP A 70 87.937 19.156 -11.798 1.00 0.00 C ATOM 1159 OD1 ASP A 70 87.168 20.060 -12.082 1.00 0.00 O ATOM 1160 OD2 ASP A 70 87.821 18.445 -10.815 1.00 0.00 O ATOM 0 H ASP A 70 91.160 19.038 -14.197 1.00 0.00 H new ATOM 0 HA ASP A 70 89.360 21.026 -13.024 1.00 0.00 H new ATOM 0 HB2 ASP A 70 88.763 18.632 -13.726 1.00 0.00 H new ATOM 0 HB3 ASP A 70 89.713 18.062 -12.368 1.00 0.00 H new ATOM 1165 N LYS A 71 90.019 20.951 -10.516 1.00 0.00 N ATOM 1166 CA LYS A 71 90.651 21.189 -9.186 1.00 0.00 C ATOM 1167 C LYS A 71 90.704 19.875 -8.401 1.00 0.00 C ATOM 1168 O LYS A 71 89.996 18.938 -8.713 1.00 0.00 O ATOM 1169 CB LYS A 71 89.829 22.217 -8.405 1.00 0.00 C ATOM 1170 CG LYS A 71 90.231 23.626 -8.840 1.00 0.00 C ATOM 1171 CD LYS A 71 89.105 24.607 -8.507 1.00 0.00 C ATOM 1172 CE LYS A 71 88.927 24.686 -6.989 1.00 0.00 C ATOM 1173 NZ LYS A 71 88.801 26.114 -6.580 1.00 0.00 N ATOM 0 H LYS A 71 89.054 21.269 -10.600 1.00 0.00 H new ATOM 0 HA LYS A 71 91.663 21.567 -9.329 1.00 0.00 H new ATOM 0 HB2 LYS A 71 88.765 22.059 -8.583 1.00 0.00 H new ATOM 0 HB3 LYS A 71 89.995 22.094 -7.335 1.00 0.00 H new ATOM 0 HG2 LYS A 71 91.149 23.925 -8.335 1.00 0.00 H new ATOM 0 HG3 LYS A 71 90.436 23.642 -9.910 1.00 0.00 H new ATOM 0 HD2 LYS A 71 89.338 25.593 -8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 71 88.176 24.283 -8.976 1.00 0.00 H new ATOM 0 HE2 LYS A 71 88.040 24.130 -6.686 1.00 0.00 H new ATOM 0 HE3 LYS A 71 89.778 24.226 -6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 88.680 26.170 -5.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 89.660 26.631 -6.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 87.975 26.538 -7.049 1.00 0.00 H new ATOM 1187 N PRO A 72 91.549 19.849 -7.401 1.00 0.00 N ATOM 1188 CA PRO A 72 91.734 18.663 -6.545 1.00 0.00 C ATOM 1189 C PRO A 72 90.585 18.527 -5.539 1.00 0.00 C ATOM 1190 O PRO A 72 90.154 19.491 -4.937 1.00 0.00 O ATOM 1191 CB PRO A 72 93.058 18.943 -5.830 1.00 0.00 C ATOM 1192 CG PRO A 72 93.264 20.475 -5.875 1.00 0.00 C ATOM 1193 CD PRO A 72 92.397 21.001 -7.032 1.00 0.00 C ATOM 0 HA PRO A 72 91.744 17.730 -7.108 1.00 0.00 H new ATOM 0 HB2 PRO A 72 93.027 18.586 -4.801 1.00 0.00 H new ATOM 0 HB3 PRO A 72 93.882 18.426 -6.322 1.00 0.00 H new ATOM 0 HG2 PRO A 72 92.970 20.933 -4.931 1.00 0.00 H new ATOM 0 HG3 PRO A 72 94.314 20.720 -6.035 1.00 0.00 H new ATOM 0 HD2 PRO A 72 91.795 21.856 -6.722 1.00 0.00 H new ATOM 0 HD3 PRO A 72 93.010 21.330 -7.871 1.00 0.00 H new ATOM 1201 N ASP A 73 90.095 17.332 -5.352 1.00 0.00 N ATOM 1202 CA ASP A 73 88.980 17.116 -4.386 1.00 0.00 C ATOM 1203 C ASP A 73 89.256 15.842 -3.577 1.00 0.00 C ATOM 1204 O ASP A 73 88.982 14.751 -4.035 1.00 0.00 O ATOM 1205 CB ASP A 73 87.666 16.961 -5.154 1.00 0.00 C ATOM 1206 CG ASP A 73 86.764 18.163 -4.867 1.00 0.00 C ATOM 1207 OD1 ASP A 73 86.860 18.704 -3.779 1.00 0.00 O ATOM 1208 OD2 ASP A 73 85.993 18.521 -5.742 1.00 0.00 O ATOM 0 H ASP A 73 90.421 16.491 -5.829 1.00 0.00 H new ATOM 0 HA ASP A 73 88.905 17.969 -3.711 1.00 0.00 H new ATOM 0 HB2 ASP A 73 87.864 16.888 -6.223 1.00 0.00 H new ATOM 0 HB3 ASP A 73 87.166 16.039 -4.859 1.00 0.00 H new ATOM 1213 N PRO A 74 89.797 16.021 -2.397 1.00 0.00 N ATOM 1214 CA PRO A 74 90.131 14.900 -1.499 1.00 0.00 C ATOM 1215 C PRO A 74 88.873 14.361 -0.807 1.00 0.00 C ATOM 1216 O PRO A 74 88.946 13.505 0.051 1.00 0.00 O ATOM 1217 CB PRO A 74 91.089 15.529 -0.483 1.00 0.00 C ATOM 1218 CG PRO A 74 90.809 17.050 -0.502 1.00 0.00 C ATOM 1219 CD PRO A 74 90.124 17.354 -1.848 1.00 0.00 C ATOM 0 HA PRO A 74 90.568 14.050 -2.023 1.00 0.00 H new ATOM 0 HB2 PRO A 74 90.925 15.116 0.512 1.00 0.00 H new ATOM 0 HB3 PRO A 74 92.126 15.322 -0.747 1.00 0.00 H new ATOM 0 HG2 PRO A 74 90.169 17.337 0.332 1.00 0.00 H new ATOM 0 HG3 PRO A 74 91.735 17.616 -0.402 1.00 0.00 H new ATOM 0 HD2 PRO A 74 89.228 17.959 -1.711 1.00 0.00 H new ATOM 0 HD3 PRO A 74 90.784 17.908 -2.515 1.00 0.00 H new ATOM 1227 N LYS A 75 87.721 14.852 -1.175 1.00 0.00 N ATOM 1228 CA LYS A 75 86.467 14.359 -0.539 1.00 0.00 C ATOM 1229 C LYS A 75 86.025 13.065 -1.226 1.00 0.00 C ATOM 1230 O LYS A 75 85.499 12.166 -0.601 1.00 0.00 O ATOM 1231 CB LYS A 75 85.368 15.417 -0.685 1.00 0.00 C ATOM 1232 CG LYS A 75 85.807 16.706 0.012 1.00 0.00 C ATOM 1233 CD LYS A 75 84.639 17.695 0.045 1.00 0.00 C ATOM 1234 CE LYS A 75 85.007 18.891 0.925 1.00 0.00 C ATOM 1235 NZ LYS A 75 85.110 20.116 0.082 1.00 0.00 N ATOM 0 H LYS A 75 87.594 15.571 -1.887 1.00 0.00 H new ATOM 0 HA LYS A 75 86.646 14.168 0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 75 85.171 15.610 -1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 75 84.438 15.053 -0.249 1.00 0.00 H new ATOM 0 HG2 LYS A 75 86.140 16.487 1.026 1.00 0.00 H new ATOM 0 HG3 LYS A 75 86.654 17.146 -0.514 1.00 0.00 H new ATOM 0 HD2 LYS A 75 84.405 18.032 -0.965 1.00 0.00 H new ATOM 0 HD3 LYS A 75 83.745 17.206 0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 75 84.253 19.032 1.699 1.00 0.00 H new ATOM 0 HE3 LYS A 75 85.954 18.705 1.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 85.360 20.929 0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 85.845 19.979 -0.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 84.197 20.296 -0.382 1.00 0.00 H new ATOM 1249 N THR A 76 86.241 12.963 -2.510 1.00 0.00 N ATOM 1250 CA THR A 76 85.839 11.727 -3.242 1.00 0.00 C ATOM 1251 C THR A 76 87.024 10.762 -3.298 1.00 0.00 C ATOM 1252 O THR A 76 86.858 9.559 -3.322 1.00 0.00 O ATOM 1253 CB THR A 76 85.409 12.096 -4.664 1.00 0.00 C ATOM 1254 OG1 THR A 76 84.664 13.305 -4.633 1.00 0.00 O ATOM 1255 CG2 THR A 76 84.543 10.977 -5.246 1.00 0.00 C ATOM 0 H THR A 76 86.679 13.683 -3.084 1.00 0.00 H new ATOM 0 HA THR A 76 85.007 11.249 -2.725 1.00 0.00 H new ATOM 0 HB THR A 76 86.293 12.229 -5.287 1.00 0.00 H new ATOM 0 HG1 THR A 76 84.389 13.543 -5.543 1.00 0.00 H new ATOM 0 HG21 THR A 76 84.238 11.242 -6.258 1.00 0.00 H new ATOM 0 HG22 THR A 76 85.115 10.049 -5.270 1.00 0.00 H new ATOM 0 HG23 THR A 76 83.658 10.841 -4.624 1.00 0.00 H new ATOM 1263 N TRP A 77 88.223 11.280 -3.316 1.00 0.00 N ATOM 1264 CA TRP A 77 89.419 10.392 -3.369 1.00 0.00 C ATOM 1265 C TRP A 77 89.363 9.388 -2.215 1.00 0.00 C ATOM 1266 O TRP A 77 89.977 8.341 -2.258 1.00 0.00 O ATOM 1267 CB TRP A 77 90.688 11.236 -3.239 1.00 0.00 C ATOM 1268 CG TRP A 77 90.784 12.174 -4.397 1.00 0.00 C ATOM 1269 CD1 TRP A 77 90.011 12.124 -5.505 1.00 0.00 C ATOM 1270 CD2 TRP A 77 91.691 13.298 -4.581 1.00 0.00 C ATOM 1271 NE1 TRP A 77 90.387 13.146 -6.359 1.00 0.00 N ATOM 1272 CE2 TRP A 77 91.419 13.898 -5.832 1.00 0.00 C ATOM 1273 CE3 TRP A 77 92.713 13.848 -3.789 1.00 0.00 C ATOM 1274 CZ2 TRP A 77 92.136 15.005 -6.282 1.00 0.00 C ATOM 1275 CZ3 TRP A 77 93.437 14.963 -4.238 1.00 0.00 C ATOM 1276 CH2 TRP A 77 93.150 15.541 -5.483 1.00 0.00 C ATOM 0 H TRP A 77 88.425 12.280 -3.296 1.00 0.00 H new ATOM 0 HA TRP A 77 89.429 9.858 -4.319 1.00 0.00 H new ATOM 0 HB2 TRP A 77 90.671 11.796 -2.304 1.00 0.00 H new ATOM 0 HB3 TRP A 77 91.565 10.590 -3.207 1.00 0.00 H new ATOM 0 HD1 TRP A 77 89.228 11.404 -5.693 1.00 0.00 H new ATOM 0 HE1 TRP A 77 89.955 13.322 -7.266 1.00 0.00 H new ATOM 0 HE3 TRP A 77 92.943 13.410 -2.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 91.910 15.446 -7.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 94.220 15.379 -3.621 1.00 0.00 H new ATOM 0 HH2 TRP A 77 93.711 16.398 -5.824 1.00 0.00 H new ATOM 1287 N LYS A 78 88.637 9.705 -1.177 1.00 0.00 N ATOM 1288 CA LYS A 78 88.549 8.777 -0.013 1.00 0.00 C ATOM 1289 C LYS A 78 87.568 7.640 -0.321 1.00 0.00 C ATOM 1290 O LYS A 78 87.755 6.517 0.104 1.00 0.00 O ATOM 1291 CB LYS A 78 88.062 9.553 1.212 1.00 0.00 C ATOM 1292 CG LYS A 78 88.381 8.758 2.480 1.00 0.00 C ATOM 1293 CD LYS A 78 87.305 9.028 3.533 1.00 0.00 C ATOM 1294 CE LYS A 78 87.240 7.851 4.508 1.00 0.00 C ATOM 1295 NZ LYS A 78 85.914 7.181 4.387 1.00 0.00 N ATOM 0 H LYS A 78 88.100 10.568 -1.085 1.00 0.00 H new ATOM 0 HA LYS A 78 89.533 8.352 0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 78 88.544 10.530 1.252 1.00 0.00 H new ATOM 0 HB3 LYS A 78 86.989 9.729 1.141 1.00 0.00 H new ATOM 0 HG2 LYS A 78 88.424 7.693 2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 78 89.361 9.042 2.864 1.00 0.00 H new ATOM 0 HD2 LYS A 78 87.531 9.948 4.072 1.00 0.00 H new ATOM 0 HD3 LYS A 78 86.337 9.169 3.052 1.00 0.00 H new ATOM 0 HE2 LYS A 78 88.039 7.142 4.293 1.00 0.00 H new ATOM 0 HE3 LYS A 78 87.391 8.201 5.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 85.868 6.380 5.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 85.160 7.861 4.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 85.788 6.834 3.415 1.00 0.00 H new ATOM 1309 N ALA A 79 86.522 7.920 -1.049 1.00 0.00 N ATOM 1310 CA ALA A 79 85.531 6.852 -1.370 1.00 0.00 C ATOM 1311 C ALA A 79 86.156 5.835 -2.330 1.00 0.00 C ATOM 1312 O ALA A 79 85.824 4.666 -2.311 1.00 0.00 O ATOM 1313 CB ALA A 79 84.301 7.481 -2.025 1.00 0.00 C ATOM 0 H ALA A 79 86.310 8.840 -1.435 1.00 0.00 H new ATOM 0 HA ALA A 79 85.238 6.345 -0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 79 83.576 6.702 -2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 79 83.852 8.200 -1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 79 84.597 7.990 -2.942 1.00 0.00 H new ATOM 1319 N ASN A 80 87.059 6.267 -3.166 1.00 0.00 N ATOM 1320 CA ASN A 80 87.703 5.322 -4.122 1.00 0.00 C ATOM 1321 C ASN A 80 88.765 4.497 -3.386 1.00 0.00 C ATOM 1322 O ASN A 80 89.424 3.657 -3.967 1.00 0.00 O ATOM 1323 CB ASN A 80 88.360 6.116 -5.255 1.00 0.00 C ATOM 1324 CG ASN A 80 87.300 6.960 -5.966 1.00 0.00 C ATOM 1325 OD1 ASN A 80 86.194 6.508 -6.187 1.00 0.00 O ATOM 1326 ND2 ASN A 80 87.593 8.177 -6.335 1.00 0.00 N ATOM 0 H ASN A 80 87.379 7.233 -3.229 1.00 0.00 H new ATOM 0 HA ASN A 80 86.951 4.652 -4.538 1.00 0.00 H new ATOM 0 HB2 ASN A 80 89.145 6.759 -4.856 1.00 0.00 H new ATOM 0 HB3 ASN A 80 88.834 5.436 -5.963 1.00 0.00 H new ATOM 0 HD21 ASN A 80 86.894 8.749 -6.809 1.00 0.00 H new ATOM 0 HD22 ASN A 80 88.521 8.557 -6.150 1.00 0.00 H new ATOM 1333 N PHE A 81 88.932 4.729 -2.111 1.00 0.00 N ATOM 1334 CA PHE A 81 89.948 3.961 -1.335 1.00 0.00 C ATOM 1335 C PHE A 81 89.247 2.870 -0.525 1.00 0.00 C ATOM 1336 O PHE A 81 89.701 1.747 -0.453 1.00 0.00 O ATOM 1337 CB PHE A 81 90.680 4.910 -0.382 1.00 0.00 C ATOM 1338 CG PHE A 81 92.020 4.324 -0.005 1.00 0.00 C ATOM 1339 CD1 PHE A 81 92.088 3.069 0.613 1.00 0.00 C ATOM 1340 CD2 PHE A 81 93.195 5.036 -0.273 1.00 0.00 C ATOM 1341 CE1 PHE A 81 93.334 2.527 0.961 1.00 0.00 C ATOM 1342 CE2 PHE A 81 94.439 4.494 0.073 1.00 0.00 C ATOM 1343 CZ PHE A 81 94.507 3.240 0.691 1.00 0.00 C ATOM 0 H PHE A 81 88.407 5.419 -1.573 1.00 0.00 H new ATOM 0 HA PHE A 81 90.664 3.505 -2.019 1.00 0.00 H new ATOM 0 HB2 PHE A 81 90.818 5.881 -0.857 1.00 0.00 H new ATOM 0 HB3 PHE A 81 90.080 5.075 0.513 1.00 0.00 H new ATOM 0 HD1 PHE A 81 91.182 2.519 0.821 1.00 0.00 H new ATOM 0 HD2 PHE A 81 93.142 6.005 -0.747 1.00 0.00 H new ATOM 0 HE1 PHE A 81 93.388 1.559 1.437 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.345 5.043 -0.137 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.466 2.822 0.960 1.00 0.00 H new ATOM 1353 N ARG A 82 88.145 3.194 0.089 1.00 0.00 N ATOM 1354 CA ARG A 82 87.414 2.182 0.901 1.00 0.00 C ATOM 1355 C ARG A 82 86.845 1.094 -0.016 1.00 0.00 C ATOM 1356 O ARG A 82 86.646 -0.033 0.392 1.00 0.00 O ATOM 1357 CB ARG A 82 86.273 2.872 1.656 1.00 0.00 C ATOM 1358 CG ARG A 82 85.110 3.153 0.702 1.00 0.00 C ATOM 1359 CD ARG A 82 84.102 2.005 0.775 1.00 0.00 C ATOM 1360 NE ARG A 82 82.721 2.563 0.721 1.00 0.00 N ATOM 1361 CZ ARG A 82 81.711 1.882 1.195 1.00 0.00 C ATOM 1362 NH1 ARG A 82 81.899 0.701 1.719 1.00 0.00 N ATOM 1363 NH2 ARG A 82 80.509 2.386 1.147 1.00 0.00 N ATOM 0 H ARG A 82 87.717 4.119 0.064 1.00 0.00 H new ATOM 0 HA ARG A 82 88.099 1.722 1.614 1.00 0.00 H new ATOM 0 HB2 ARG A 82 85.936 2.241 2.478 1.00 0.00 H new ATOM 0 HB3 ARG A 82 86.628 3.805 2.095 1.00 0.00 H new ATOM 0 HG2 ARG A 82 84.627 4.093 0.968 1.00 0.00 H new ATOM 0 HG3 ARG A 82 85.480 3.262 -0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 82 84.260 1.313 -0.052 1.00 0.00 H new ATOM 0 HD3 ARG A 82 84.243 1.439 1.696 1.00 0.00 H new ATOM 0 HE ARG A 82 82.563 3.483 0.311 1.00 0.00 H new ATOM 0 HH11 ARG A 82 82.838 0.305 1.760 1.00 0.00 H new ATOM 0 HH12 ARG A 82 81.107 0.174 2.087 1.00 0.00 H new ATOM 0 HH21 ARG A 82 80.359 3.309 0.740 1.00 0.00 H new ATOM 0 HH22 ARG A 82 79.719 1.857 1.516 1.00 0.00 H new ATOM 1377 N CYS A 83 86.578 1.422 -1.250 1.00 0.00 N ATOM 1378 CA CYS A 83 86.016 0.407 -2.186 1.00 0.00 C ATOM 1379 C CYS A 83 87.149 -0.413 -2.809 1.00 0.00 C ATOM 1380 O CYS A 83 86.944 -1.516 -3.271 1.00 0.00 O ATOM 1381 CB CYS A 83 85.236 1.114 -3.296 1.00 0.00 C ATOM 1382 SG CYS A 83 83.512 0.564 -3.261 1.00 0.00 S ATOM 0 H CYS A 83 86.724 2.348 -1.651 1.00 0.00 H new ATOM 0 HA CYS A 83 85.352 -0.258 -1.634 1.00 0.00 H new ATOM 0 HB2 CYS A 83 85.288 2.194 -3.161 1.00 0.00 H new ATOM 0 HB3 CYS A 83 85.681 0.892 -4.266 1.00 0.00 H new ATOM 0 HG CYS A 83 82.846 1.165 -4.202 1.00 0.00 H new ATOM 1388 N ALA A 84 88.341 0.115 -2.835 1.00 0.00 N ATOM 1389 CA ALA A 84 89.475 -0.641 -3.439 1.00 0.00 C ATOM 1390 C ALA A 84 89.822 -1.842 -2.565 1.00 0.00 C ATOM 1391 O ALA A 84 90.162 -2.897 -3.056 1.00 0.00 O ATOM 1392 CB ALA A 84 90.695 0.273 -3.562 1.00 0.00 C ATOM 0 H ALA A 84 88.579 1.035 -2.465 1.00 0.00 H new ATOM 0 HA ALA A 84 89.183 -0.991 -4.429 1.00 0.00 H new ATOM 0 HB1 ALA A 84 91.522 -0.282 -4.004 1.00 0.00 H new ATOM 0 HB2 ALA A 84 90.449 1.124 -4.197 1.00 0.00 H new ATOM 0 HB3 ALA A 84 90.984 0.629 -2.573 1.00 0.00 H new ATOM 1398 N MET A 85 89.747 -1.697 -1.278 1.00 0.00 N ATOM 1399 CA MET A 85 90.075 -2.842 -0.387 1.00 0.00 C ATOM 1400 C MET A 85 88.806 -3.646 -0.088 1.00 0.00 C ATOM 1401 O MET A 85 88.865 -4.804 0.275 1.00 0.00 O ATOM 1402 CB MET A 85 90.680 -2.306 0.911 1.00 0.00 C ATOM 1403 CG MET A 85 92.211 -2.211 0.784 1.00 0.00 C ATOM 1404 SD MET A 85 92.668 -1.540 -0.834 1.00 0.00 S ATOM 1405 CE MET A 85 92.216 0.172 -0.472 1.00 0.00 C ATOM 0 H MET A 85 89.473 -0.838 -0.802 1.00 0.00 H new ATOM 0 HA MET A 85 90.795 -3.498 -0.877 1.00 0.00 H new ATOM 0 HB2 MET A 85 90.265 -1.324 1.136 1.00 0.00 H new ATOM 0 HB3 MET A 85 90.417 -2.961 1.741 1.00 0.00 H new ATOM 0 HG2 MET A 85 92.609 -1.575 1.575 1.00 0.00 H new ATOM 0 HG3 MET A 85 92.655 -3.198 0.915 1.00 0.00 H new ATOM 0 HE1 MET A 85 92.939 0.845 -0.934 1.00 0.00 H new ATOM 0 HE2 MET A 85 91.223 0.378 -0.870 1.00 0.00 H new ATOM 0 HE3 MET A 85 92.214 0.327 0.607 1.00 0.00 H new ATOM 1415 N ASN A 86 87.660 -3.035 -0.223 1.00 0.00 N ATOM 1416 CA ASN A 86 86.385 -3.755 0.066 1.00 0.00 C ATOM 1417 C ASN A 86 85.850 -4.439 -1.198 1.00 0.00 C ATOM 1418 O ASN A 86 84.961 -5.264 -1.133 1.00 0.00 O ATOM 1419 CB ASN A 86 85.342 -2.754 0.570 1.00 0.00 C ATOM 1420 CG ASN A 86 85.818 -2.131 1.884 1.00 0.00 C ATOM 1421 OD1 ASN A 86 86.816 -2.542 2.439 1.00 0.00 O ATOM 1422 ND2 ASN A 86 85.137 -1.149 2.408 1.00 0.00 N ATOM 0 H ASN A 86 87.551 -2.066 -0.522 1.00 0.00 H new ATOM 0 HA ASN A 86 86.578 -4.514 0.824 1.00 0.00 H new ATOM 0 HB2 ASN A 86 85.181 -1.975 -0.176 1.00 0.00 H new ATOM 0 HB3 ASN A 86 84.385 -3.255 0.719 1.00 0.00 H new ATOM 0 HD21 ASN A 86 85.443 -0.726 3.284 1.00 0.00 H new ATOM 0 HD22 ASN A 86 84.298 -0.804 1.941 1.00 0.00 H new ATOM 1429 N SER A 87 86.360 -4.097 -2.350 1.00 0.00 N ATOM 1430 CA SER A 87 85.844 -4.727 -3.602 1.00 0.00 C ATOM 1431 C SER A 87 86.707 -5.930 -3.989 1.00 0.00 C ATOM 1432 O SER A 87 87.114 -6.684 -3.139 1.00 0.00 O ATOM 1433 CB SER A 87 85.844 -3.691 -4.727 1.00 0.00 C ATOM 1434 OG SER A 87 84.862 -4.046 -5.691 1.00 0.00 O ATOM 0 H SER A 87 87.106 -3.414 -2.480 1.00 0.00 H new ATOM 0 HA SER A 87 84.826 -5.078 -3.434 1.00 0.00 H new ATOM 0 HB2 SER A 87 85.634 -2.700 -4.325 1.00 0.00 H new ATOM 0 HB3 SER A 87 86.828 -3.644 -5.194 1.00 0.00 H new ATOM 0 HG SER A 87 84.858 -3.383 -6.413 1.00 0.00 H new ATOM 1440 N LEU A 88 86.971 -6.102 -5.269 1.00 0.00 N ATOM 1441 CA LEU A 88 87.797 -7.258 -5.762 1.00 0.00 C ATOM 1442 C LEU A 88 87.607 -8.499 -4.869 1.00 0.00 C ATOM 1443 O LEU A 88 88.050 -8.531 -3.741 1.00 0.00 O ATOM 1444 CB LEU A 88 89.283 -6.874 -5.775 1.00 0.00 C ATOM 1445 CG LEU A 88 89.449 -5.378 -5.493 1.00 0.00 C ATOM 1446 CD1 LEU A 88 89.424 -5.137 -3.983 1.00 0.00 C ATOM 1447 CD2 LEU A 88 90.784 -4.898 -6.063 1.00 0.00 C ATOM 0 H LEU A 88 86.642 -5.477 -6.005 1.00 0.00 H new ATOM 0 HA LEU A 88 87.465 -7.498 -6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 88 89.822 -7.454 -5.026 1.00 0.00 H new ATOM 0 HB3 LEU A 88 89.720 -7.119 -6.743 1.00 0.00 H new ATOM 0 HG LEU A 88 88.634 -4.827 -5.962 1.00 0.00 H new ATOM 0 HD11 LEU A 88 89.542 -4.072 -3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 88 88.473 -5.480 -3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 88 90.239 -5.687 -3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 88 90.903 -3.833 -5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 88 91.599 -5.449 -5.594 1.00 0.00 H new ATOM 0 HD23 LEU A 88 90.803 -5.069 -7.139 1.00 0.00 H new ATOM 1459 N PRO A 89 86.965 -9.505 -5.412 1.00 0.00 N ATOM 1460 CA PRO A 89 86.706 -10.757 -4.678 1.00 0.00 C ATOM 1461 C PRO A 89 88.005 -11.531 -4.446 1.00 0.00 C ATOM 1462 O PRO A 89 88.015 -12.563 -3.807 1.00 0.00 O ATOM 1463 CB PRO A 89 85.738 -11.522 -5.588 1.00 0.00 C ATOM 1464 CG PRO A 89 85.915 -10.929 -7.002 1.00 0.00 C ATOM 1465 CD PRO A 89 86.466 -9.505 -6.804 1.00 0.00 C ATOM 0 HA PRO A 89 86.290 -10.592 -3.684 1.00 0.00 H new ATOM 0 HB2 PRO A 89 85.960 -12.589 -5.583 1.00 0.00 H new ATOM 0 HB3 PRO A 89 84.710 -11.409 -5.245 1.00 0.00 H new ATOM 0 HG2 PRO A 89 86.602 -11.533 -7.595 1.00 0.00 H new ATOM 0 HG3 PRO A 89 84.966 -10.908 -7.537 1.00 0.00 H new ATOM 0 HD2 PRO A 89 87.263 -9.283 -7.514 1.00 0.00 H new ATOM 0 HD3 PRO A 89 85.691 -8.753 -6.950 1.00 0.00 H new ATOM 1473 N ASP A 90 89.106 -11.031 -4.939 1.00 0.00 N ATOM 1474 CA ASP A 90 90.398 -11.733 -4.719 1.00 0.00 C ATOM 1475 C ASP A 90 90.978 -11.287 -3.376 1.00 0.00 C ATOM 1476 O ASP A 90 91.841 -11.930 -2.817 1.00 0.00 O ATOM 1477 CB ASP A 90 91.375 -11.379 -5.842 1.00 0.00 C ATOM 1478 CG ASP A 90 90.619 -11.298 -7.170 1.00 0.00 C ATOM 1479 OD1 ASP A 90 89.501 -11.781 -7.222 1.00 0.00 O ATOM 1480 OD2 ASP A 90 91.173 -10.755 -8.112 1.00 0.00 O ATOM 0 H ASP A 90 89.164 -10.170 -5.482 1.00 0.00 H new ATOM 0 HA ASP A 90 90.237 -12.811 -4.715 1.00 0.00 H new ATOM 0 HB2 ASP A 90 91.861 -10.427 -5.629 1.00 0.00 H new ATOM 0 HB3 ASP A 90 92.162 -12.131 -5.904 1.00 0.00 H new ATOM 1485 N ILE A 91 90.500 -10.191 -2.851 1.00 0.00 N ATOM 1486 CA ILE A 91 91.015 -9.700 -1.539 1.00 0.00 C ATOM 1487 C ILE A 91 89.952 -9.964 -0.466 1.00 0.00 C ATOM 1488 O ILE A 91 88.767 -9.917 -0.726 1.00 0.00 O ATOM 1489 CB ILE A 91 91.366 -8.193 -1.648 1.00 0.00 C ATOM 1490 CG1 ILE A 91 90.931 -7.414 -0.401 1.00 0.00 C ATOM 1491 CG2 ILE A 91 90.682 -7.580 -2.868 1.00 0.00 C ATOM 1492 CD1 ILE A 91 90.980 -5.905 -0.686 1.00 0.00 C ATOM 0 H ILE A 91 89.774 -9.613 -3.274 1.00 0.00 H new ATOM 0 HA ILE A 91 91.927 -10.228 -1.259 1.00 0.00 H new ATOM 0 HB ILE A 91 92.450 -8.123 -1.744 1.00 0.00 H new ATOM 0 HG12 ILE A 91 89.921 -7.706 -0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 91 91.585 -7.656 0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 91 90.936 -6.522 -2.934 1.00 0.00 H new ATOM 0 HG22 ILE A 91 91.020 -8.091 -3.770 1.00 0.00 H new ATOM 0 HG23 ILE A 91 89.602 -7.689 -2.772 1.00 0.00 H new ATOM 0 HD11 ILE A 91 90.670 -5.356 0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 91 91.997 -5.618 -0.953 1.00 0.00 H new ATOM 0 HD13 ILE A 91 90.308 -5.668 -1.511 1.00 0.00 H new ATOM 1504 N GLU A 92 90.372 -10.255 0.734 1.00 0.00 N ATOM 1505 CA GLU A 92 89.386 -10.540 1.825 1.00 0.00 C ATOM 1506 C GLU A 92 89.705 -9.684 3.053 1.00 0.00 C ATOM 1507 O GLU A 92 90.763 -9.787 3.635 1.00 0.00 O ATOM 1508 CB GLU A 92 89.463 -12.020 2.203 1.00 0.00 C ATOM 1509 CG GLU A 92 88.049 -12.570 2.399 1.00 0.00 C ATOM 1510 CD GLU A 92 87.798 -13.705 1.406 1.00 0.00 C ATOM 1511 OE1 GLU A 92 88.682 -14.532 1.244 1.00 0.00 O ATOM 1512 OE2 GLU A 92 86.728 -13.729 0.821 1.00 0.00 O ATOM 0 H GLU A 92 91.352 -10.309 1.010 1.00 0.00 H new ATOM 0 HA GLU A 92 88.382 -10.301 1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 92 89.977 -12.580 1.422 1.00 0.00 H new ATOM 0 HB3 GLU A 92 90.043 -12.143 3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 92 87.927 -12.933 3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 92 87.316 -11.777 2.253 1.00 0.00 H new ATOM 1519 N GLU A 93 88.802 -8.835 3.451 1.00 0.00 N ATOM 1520 CA GLU A 93 89.070 -7.968 4.632 1.00 0.00 C ATOM 1521 C GLU A 93 89.051 -8.785 5.928 1.00 0.00 C ATOM 1522 O GLU A 93 88.177 -9.596 6.156 1.00 0.00 O ATOM 1523 CB GLU A 93 88.018 -6.855 4.691 1.00 0.00 C ATOM 1524 CG GLU A 93 86.799 -7.297 5.511 1.00 0.00 C ATOM 1525 CD GLU A 93 85.802 -6.141 5.610 1.00 0.00 C ATOM 1526 OE1 GLU A 93 84.962 -6.032 4.732 1.00 0.00 O ATOM 1527 OE2 GLU A 93 85.896 -5.384 6.562 1.00 0.00 O ATOM 0 H GLU A 93 87.891 -8.703 3.011 1.00 0.00 H new ATOM 0 HA GLU A 93 90.062 -7.529 4.529 1.00 0.00 H new ATOM 0 HB2 GLU A 93 88.454 -5.960 5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 93 87.705 -6.591 3.681 1.00 0.00 H new ATOM 0 HG2 GLU A 93 86.326 -8.160 5.042 1.00 0.00 H new ATOM 0 HG3 GLU A 93 87.112 -7.608 6.508 1.00 0.00 H new ATOM 1534 N VAL A 94 90.011 -8.549 6.781 1.00 0.00 N ATOM 1535 CA VAL A 94 90.077 -9.275 8.079 1.00 0.00 C ATOM 1536 C VAL A 94 90.671 -8.334 9.134 1.00 0.00 C ATOM 1537 O VAL A 94 91.865 -8.317 9.366 1.00 0.00 O ATOM 1538 CB VAL A 94 90.966 -10.520 7.933 1.00 0.00 C ATOM 1539 CG1 VAL A 94 91.409 -11.008 9.314 1.00 0.00 C ATOM 1540 CG2 VAL A 94 90.182 -11.634 7.237 1.00 0.00 C ATOM 0 H VAL A 94 90.761 -7.875 6.630 1.00 0.00 H new ATOM 0 HA VAL A 94 89.078 -9.591 8.381 1.00 0.00 H new ATOM 0 HB VAL A 94 91.843 -10.261 7.340 1.00 0.00 H new ATOM 0 HG11 VAL A 94 92.039 -11.891 9.203 1.00 0.00 H new ATOM 0 HG12 VAL A 94 91.973 -10.221 9.815 1.00 0.00 H new ATOM 0 HG13 VAL A 94 90.532 -11.261 9.909 1.00 0.00 H new ATOM 0 HG21 VAL A 94 90.815 -12.515 7.135 1.00 0.00 H new ATOM 0 HG22 VAL A 94 89.303 -11.885 7.830 1.00 0.00 H new ATOM 0 HG23 VAL A 94 89.869 -11.296 6.249 1.00 0.00 H new ATOM 1550 N LYS A 95 89.850 -7.540 9.764 1.00 0.00 N ATOM 1551 CA LYS A 95 90.369 -6.596 10.796 1.00 0.00 C ATOM 1552 C LYS A 95 90.322 -7.266 12.167 1.00 0.00 C ATOM 1553 O LYS A 95 90.200 -6.618 13.188 1.00 0.00 O ATOM 1554 CB LYS A 95 89.497 -5.344 10.815 1.00 0.00 C ATOM 1555 CG LYS A 95 88.119 -5.713 11.363 1.00 0.00 C ATOM 1556 CD LYS A 95 87.126 -4.589 11.055 1.00 0.00 C ATOM 1557 CE LYS A 95 85.931 -5.159 10.289 1.00 0.00 C ATOM 1558 NZ LYS A 95 84.706 -5.053 11.130 1.00 0.00 N ATOM 0 H LYS A 95 88.842 -7.503 9.610 1.00 0.00 H new ATOM 0 HA LYS A 95 91.398 -6.324 10.559 1.00 0.00 H new ATOM 0 HB2 LYS A 95 89.956 -4.574 11.435 1.00 0.00 H new ATOM 0 HB3 LYS A 95 89.406 -4.932 9.810 1.00 0.00 H new ATOM 0 HG2 LYS A 95 87.777 -6.647 10.916 1.00 0.00 H new ATOM 0 HG3 LYS A 95 88.176 -5.877 12.439 1.00 0.00 H new ATOM 0 HD2 LYS A 95 86.789 -4.123 11.981 1.00 0.00 H new ATOM 0 HD3 LYS A 95 87.612 -3.812 10.466 1.00 0.00 H new ATOM 0 HE2 LYS A 95 85.792 -4.616 9.354 1.00 0.00 H new ATOM 0 HE3 LYS A 95 86.116 -6.201 10.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 83.893 -5.440 10.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 84.842 -5.590 12.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 84.527 -4.054 11.358 1.00 0.00 H new ATOM 1572 N ASP A 96 90.420 -8.558 12.189 1.00 0.00 N ATOM 1573 CA ASP A 96 90.383 -9.297 13.482 1.00 0.00 C ATOM 1574 C ASP A 96 89.083 -8.971 14.219 1.00 0.00 C ATOM 1575 O ASP A 96 89.088 -8.367 15.273 1.00 0.00 O ATOM 1576 CB ASP A 96 91.578 -8.884 14.344 1.00 0.00 C ATOM 1577 CG ASP A 96 92.849 -9.546 13.809 1.00 0.00 C ATOM 1578 OD1 ASP A 96 92.726 -10.496 13.052 1.00 0.00 O ATOM 1579 OD2 ASP A 96 93.926 -9.094 14.164 1.00 0.00 O ATOM 0 H ASP A 96 90.525 -9.144 11.361 1.00 0.00 H new ATOM 0 HA ASP A 96 90.431 -10.369 13.288 1.00 0.00 H new ATOM 0 HB2 ASP A 96 91.689 -7.800 14.334 1.00 0.00 H new ATOM 0 HB3 ASP A 96 91.411 -9.178 15.380 1.00 0.00 H new ATOM 1584 N ARG A 97 87.965 -9.368 13.671 1.00 0.00 N ATOM 1585 CA ARG A 97 86.663 -9.084 14.338 1.00 0.00 C ATOM 1586 C ARG A 97 86.323 -10.226 15.299 1.00 0.00 C ATOM 1587 O ARG A 97 85.730 -10.019 16.340 1.00 0.00 O ATOM 1588 CB ARG A 97 85.565 -8.941 13.275 1.00 0.00 C ATOM 1589 CG ARG A 97 85.088 -10.324 12.824 1.00 0.00 C ATOM 1590 CD ARG A 97 83.984 -10.806 13.763 1.00 0.00 C ATOM 1591 NE ARG A 97 83.057 -11.708 13.023 1.00 0.00 N ATOM 1592 CZ ARG A 97 81.862 -11.949 13.492 1.00 0.00 C ATOM 1593 NH1 ARG A 97 81.472 -11.398 14.610 1.00 0.00 N ATOM 1594 NH2 ARG A 97 81.056 -12.747 12.844 1.00 0.00 N ATOM 0 H ARG A 97 87.898 -9.877 12.790 1.00 0.00 H new ATOM 0 HA ARG A 97 86.733 -8.154 14.903 1.00 0.00 H new ATOM 0 HB2 ARG A 97 84.728 -8.373 13.680 1.00 0.00 H new ATOM 0 HB3 ARG A 97 85.946 -8.382 12.420 1.00 0.00 H new ATOM 0 HG2 ARG A 97 84.717 -10.278 11.800 1.00 0.00 H new ATOM 0 HG3 ARG A 97 85.920 -11.028 12.830 1.00 0.00 H new ATOM 0 HD2 ARG A 97 84.419 -11.333 14.612 1.00 0.00 H new ATOM 0 HD3 ARG A 97 83.435 -9.954 14.164 1.00 0.00 H new ATOM 0 HE ARG A 97 83.356 -12.138 12.148 1.00 0.00 H new ATOM 0 HH11 ARG A 97 82.101 -10.778 15.119 1.00 0.00 H new ATOM 0 HH12 ARG A 97 80.538 -11.588 14.974 1.00 0.00 H new ATOM 0 HH21 ARG A 97 81.360 -13.181 11.973 1.00 0.00 H new ATOM 0 HH22 ARG A 97 80.123 -12.936 13.209 1.00 0.00 H new ATOM 1608 N SER A 98 86.693 -11.432 14.959 1.00 0.00 N ATOM 1609 CA SER A 98 86.387 -12.585 15.853 1.00 0.00 C ATOM 1610 C SER A 98 87.661 -13.036 16.560 1.00 0.00 C ATOM 1611 O SER A 98 87.854 -14.204 16.829 1.00 0.00 O ATOM 1612 CB SER A 98 85.838 -13.743 15.025 1.00 0.00 C ATOM 1613 OG SER A 98 84.493 -13.465 14.656 1.00 0.00 O ATOM 0 H SER A 98 87.193 -11.668 14.102 1.00 0.00 H new ATOM 0 HA SER A 98 85.646 -12.279 16.592 1.00 0.00 H new ATOM 0 HB2 SER A 98 86.448 -13.888 14.134 1.00 0.00 H new ATOM 0 HB3 SER A 98 85.885 -14.669 15.598 1.00 0.00 H new ATOM 0 HG SER A 98 84.140 -14.207 14.123 1.00 0.00 H new ATOM 1619 N ILE A 99 88.530 -12.118 16.856 1.00 0.00 N ATOM 1620 CA ILE A 99 89.798 -12.481 17.541 1.00 0.00 C ATOM 1621 C ILE A 99 90.326 -11.253 18.280 1.00 0.00 C ATOM 1622 O ILE A 99 90.114 -11.093 19.465 1.00 0.00 O ATOM 1623 CB ILE A 99 90.816 -12.935 16.489 1.00 0.00 C ATOM 1624 CG1 ILE A 99 90.528 -14.383 16.092 1.00 0.00 C ATOM 1625 CG2 ILE A 99 92.233 -12.842 17.055 1.00 0.00 C ATOM 1626 CD1 ILE A 99 89.894 -14.416 14.700 1.00 0.00 C ATOM 0 H ILE A 99 88.417 -11.125 16.652 1.00 0.00 H new ATOM 0 HA ILE A 99 89.630 -13.289 18.253 1.00 0.00 H new ATOM 0 HB ILE A 99 90.734 -12.288 15.615 1.00 0.00 H new ATOM 0 HG12 ILE A 99 91.451 -14.963 16.096 1.00 0.00 H new ATOM 0 HG13 ILE A 99 89.859 -14.844 16.819 1.00 0.00 H new ATOM 0 HG21 ILE A 99 92.949 -13.167 16.300 1.00 0.00 H new ATOM 0 HG22 ILE A 99 92.445 -11.811 17.336 1.00 0.00 H new ATOM 0 HG23 ILE A 99 92.317 -13.482 17.933 1.00 0.00 H new ATOM 0 HD11 ILE A 99 89.689 -15.449 14.418 1.00 0.00 H new ATOM 0 HD12 ILE A 99 88.962 -13.851 14.711 1.00 0.00 H new ATOM 0 HD13 ILE A 99 90.579 -13.972 13.978 1.00 0.00 H new ATOM 1638 N LYS A 100 91.007 -10.390 17.569 1.00 0.00 N ATOM 1639 CA LYS A 100 91.579 -9.151 18.181 1.00 0.00 C ATOM 1640 C LYS A 100 91.954 -9.419 19.634 1.00 0.00 C ATOM 1641 O LYS A 100 91.172 -9.216 20.541 1.00 0.00 O ATOM 1642 CB LYS A 100 90.540 -8.034 18.121 1.00 0.00 C ATOM 1643 CG LYS A 100 91.070 -6.803 18.857 1.00 0.00 C ATOM 1644 CD LYS A 100 90.028 -6.325 19.870 1.00 0.00 C ATOM 1645 CE LYS A 100 89.041 -5.381 19.179 1.00 0.00 C ATOM 1646 NZ LYS A 100 87.656 -5.911 19.329 1.00 0.00 N ATOM 0 H LYS A 100 91.194 -10.494 16.572 1.00 0.00 H new ATOM 0 HA LYS A 100 92.471 -8.853 17.630 1.00 0.00 H new ATOM 0 HB2 LYS A 100 90.320 -7.783 17.083 1.00 0.00 H new ATOM 0 HB3 LYS A 100 89.606 -8.367 18.574 1.00 0.00 H new ATOM 0 HG2 LYS A 100 92.003 -7.044 19.366 1.00 0.00 H new ATOM 0 HG3 LYS A 100 91.292 -6.008 18.145 1.00 0.00 H new ATOM 0 HD2 LYS A 100 89.497 -7.178 20.292 1.00 0.00 H new ATOM 0 HD3 LYS A 100 90.518 -5.813 20.698 1.00 0.00 H new ATOM 0 HE2 LYS A 100 89.109 -4.384 19.615 1.00 0.00 H new ATOM 0 HE3 LYS A 100 89.292 -5.285 18.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 86.986 -5.269 18.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 87.596 -6.853 18.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 87.418 -5.981 20.339 1.00 0.00 H new ATOM 1660 N LYS A 101 93.144 -9.896 19.853 1.00 0.00 N ATOM 1661 CA LYS A 101 93.580 -10.208 21.237 1.00 0.00 C ATOM 1662 C LYS A 101 95.106 -10.237 21.288 1.00 0.00 C ATOM 1663 O LYS A 101 95.705 -11.112 21.881 1.00 0.00 O ATOM 1664 CB LYS A 101 93.022 -11.575 21.643 1.00 0.00 C ATOM 1665 CG LYS A 101 92.748 -12.420 20.385 1.00 0.00 C ATOM 1666 CD LYS A 101 92.968 -13.902 20.698 1.00 0.00 C ATOM 1667 CE LYS A 101 94.343 -14.091 21.340 1.00 0.00 C ATOM 1668 NZ LYS A 101 94.851 -15.458 21.036 1.00 0.00 N ATOM 0 H LYS A 101 93.837 -10.084 19.128 1.00 0.00 H new ATOM 0 HA LYS A 101 93.210 -9.447 21.924 1.00 0.00 H new ATOM 0 HB2 LYS A 101 93.731 -12.090 22.291 1.00 0.00 H new ATOM 0 HB3 LYS A 101 92.103 -11.448 22.214 1.00 0.00 H new ATOM 0 HG2 LYS A 101 91.726 -12.259 20.043 1.00 0.00 H new ATOM 0 HG3 LYS A 101 93.408 -12.108 19.575 1.00 0.00 H new ATOM 0 HD2 LYS A 101 92.189 -14.262 21.370 1.00 0.00 H new ATOM 0 HD3 LYS A 101 92.898 -14.492 19.784 1.00 0.00 H new ATOM 0 HE2 LYS A 101 95.038 -13.341 20.963 1.00 0.00 H new ATOM 0 HE3 LYS A 101 94.275 -13.949 22.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 95.786 -15.586 21.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 94.191 -16.166 21.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 94.931 -15.578 20.006 1.00 0.00 H new ATOM 1682 N GLY A 102 95.741 -9.283 20.665 1.00 0.00 N ATOM 1683 CA GLY A 102 97.229 -9.247 20.671 1.00 0.00 C ATOM 1684 C GLY A 102 97.725 -8.468 19.450 1.00 0.00 C ATOM 1685 O GLY A 102 98.644 -8.880 18.771 1.00 0.00 O ATOM 0 H GLY A 102 95.292 -8.525 20.151 1.00 0.00 H new ATOM 0 HA2 GLY A 102 97.588 -8.777 21.586 1.00 0.00 H new ATOM 0 HA3 GLY A 102 97.628 -10.261 20.656 1.00 0.00 H new ATOM 1689 N ASN A 103 97.121 -7.346 19.165 1.00 0.00 N ATOM 1690 CA ASN A 103 97.559 -6.543 17.988 1.00 0.00 C ATOM 1691 C ASN A 103 97.279 -5.060 18.249 1.00 0.00 C ATOM 1692 O ASN A 103 96.817 -4.684 19.307 1.00 0.00 O ATOM 1693 CB ASN A 103 96.790 -6.999 16.747 1.00 0.00 C ATOM 1694 CG ASN A 103 97.486 -8.216 16.135 1.00 0.00 C ATOM 1695 OD1 ASN A 103 98.676 -8.191 15.891 1.00 0.00 O ATOM 1696 ND2 ASN A 103 96.791 -9.291 15.876 1.00 0.00 N ATOM 0 H ASN A 103 96.344 -6.951 19.696 1.00 0.00 H new ATOM 0 HA ASN A 103 98.627 -6.686 17.826 1.00 0.00 H new ATOM 0 HB2 ASN A 103 95.763 -7.250 17.014 1.00 0.00 H new ATOM 0 HB3 ASN A 103 96.741 -6.190 16.018 1.00 0.00 H new ATOM 0 HD21 ASN A 103 97.247 -10.108 15.470 1.00 0.00 H new ATOM 0 HD22 ASN A 103 95.792 -9.314 16.080 1.00 0.00 H new ATOM 1703 N ASN A 104 97.555 -4.216 17.292 1.00 0.00 N ATOM 1704 CA ASN A 104 97.303 -2.760 17.490 1.00 0.00 C ATOM 1705 C ASN A 104 95.903 -2.414 16.980 1.00 0.00 C ATOM 1706 O ASN A 104 94.994 -2.177 17.750 1.00 0.00 O ATOM 1707 CB ASN A 104 98.345 -1.949 16.716 1.00 0.00 C ATOM 1708 CG ASN A 104 98.932 -0.870 17.628 1.00 0.00 C ATOM 1709 OD1 ASN A 104 98.486 0.259 17.618 1.00 0.00 O ATOM 1710 ND2 ASN A 104 99.922 -1.171 18.423 1.00 0.00 N ATOM 0 H ASN A 104 97.943 -4.471 16.384 1.00 0.00 H new ATOM 0 HA ASN A 104 97.374 -2.519 18.551 1.00 0.00 H new ATOM 0 HB2 ASN A 104 99.137 -2.605 16.355 1.00 0.00 H new ATOM 0 HB3 ASN A 104 97.887 -1.490 15.840 1.00 0.00 H new ATOM 0 HD21 ASN A 104 100.320 -0.458 19.035 1.00 0.00 H new ATOM 0 HD22 ASN A 104 100.298 -2.119 18.433 1.00 0.00 H new ATOM 1717 N ALA A 105 95.722 -2.383 15.689 1.00 0.00 N ATOM 1718 CA ALA A 105 94.378 -2.054 15.136 1.00 0.00 C ATOM 1719 C ALA A 105 94.501 -1.700 13.651 1.00 0.00 C ATOM 1720 O ALA A 105 94.884 -0.604 13.295 1.00 0.00 O ATOM 1721 CB ALA A 105 93.795 -0.861 15.896 1.00 0.00 C ATOM 0 H ALA A 105 96.445 -2.571 14.994 1.00 0.00 H new ATOM 0 HA ALA A 105 93.721 -2.917 15.247 1.00 0.00 H new ATOM 0 HB1 ALA A 105 92.812 -0.618 15.493 1.00 0.00 H new ATOM 0 HB2 ALA A 105 93.702 -1.113 16.952 1.00 0.00 H new ATOM 0 HB3 ALA A 105 94.455 -0.001 15.785 1.00 0.00 H new ATOM 1727 N PHE A 106 94.169 -2.617 12.782 1.00 0.00 N ATOM 1728 CA PHE A 106 94.256 -2.329 11.320 1.00 0.00 C ATOM 1729 C PHE A 106 93.185 -3.125 10.573 1.00 0.00 C ATOM 1730 O PHE A 106 92.259 -3.660 11.150 1.00 0.00 O ATOM 1731 CB PHE A 106 95.618 -2.749 10.757 1.00 0.00 C ATOM 1732 CG PHE A 106 96.550 -3.193 11.848 1.00 0.00 C ATOM 1733 CD1 PHE A 106 96.233 -4.303 12.629 1.00 0.00 C ATOM 1734 CD2 PHE A 106 97.741 -2.496 12.065 1.00 0.00 C ATOM 1735 CE1 PHE A 106 97.109 -4.720 13.632 1.00 0.00 C ATOM 1736 CE2 PHE A 106 98.619 -2.908 13.066 1.00 0.00 C ATOM 1737 CZ PHE A 106 98.305 -4.024 13.854 1.00 0.00 C ATOM 0 H PHE A 106 93.841 -3.553 13.021 1.00 0.00 H new ATOM 0 HA PHE A 106 94.115 -1.257 11.186 1.00 0.00 H new ATOM 0 HB2 PHE A 106 95.483 -3.559 10.040 1.00 0.00 H new ATOM 0 HB3 PHE A 106 96.062 -1.914 10.215 1.00 0.00 H new ATOM 0 HD1 PHE A 106 95.311 -4.839 12.458 1.00 0.00 H new ATOM 0 HD2 PHE A 106 97.982 -1.637 11.456 1.00 0.00 H new ATOM 0 HE1 PHE A 106 96.865 -5.580 14.238 1.00 0.00 H new ATOM 0 HE2 PHE A 106 99.539 -2.369 13.234 1.00 0.00 H new ATOM 0 HZ PHE A 106 98.983 -4.347 14.630 1.00 0.00 H new ATOM 1747 N ARG A 107 93.351 -3.230 9.289 1.00 0.00 N ATOM 1748 CA ARG A 107 92.419 -4.010 8.438 1.00 0.00 C ATOM 1749 C ARG A 107 93.293 -4.989 7.651 1.00 0.00 C ATOM 1750 O ARG A 107 94.009 -4.608 6.740 1.00 0.00 O ATOM 1751 CB ARG A 107 91.675 -3.066 7.487 1.00 0.00 C ATOM 1752 CG ARG A 107 90.173 -3.327 7.545 1.00 0.00 C ATOM 1753 CD ARG A 107 89.468 -2.125 8.176 1.00 0.00 C ATOM 1754 NE ARG A 107 89.788 -2.061 9.629 1.00 0.00 N ATOM 1755 CZ ARG A 107 89.306 -1.093 10.364 1.00 0.00 C ATOM 1756 NH1 ARG A 107 88.543 -0.178 9.829 1.00 0.00 N ATOM 1757 NH2 ARG A 107 89.592 -1.038 11.637 1.00 0.00 N ATOM 0 H ARG A 107 94.119 -2.793 8.779 1.00 0.00 H new ATOM 0 HA ARG A 107 91.669 -4.537 9.028 1.00 0.00 H new ATOM 0 HB2 ARG A 107 91.881 -2.030 7.758 1.00 0.00 H new ATOM 0 HB3 ARG A 107 92.036 -3.207 6.468 1.00 0.00 H new ATOM 0 HG2 ARG A 107 89.785 -3.504 6.542 1.00 0.00 H new ATOM 0 HG3 ARG A 107 89.972 -4.226 8.127 1.00 0.00 H new ATOM 0 HD2 ARG A 107 89.785 -1.206 7.683 1.00 0.00 H new ATOM 0 HD3 ARG A 107 88.390 -2.208 8.034 1.00 0.00 H new ATOM 0 HE ARG A 107 90.384 -2.773 10.051 1.00 0.00 H new ATOM 0 HH11 ARG A 107 88.321 -0.217 8.834 1.00 0.00 H new ATOM 0 HH12 ARG A 107 88.169 0.575 10.406 1.00 0.00 H new ATOM 0 HH21 ARG A 107 90.191 -1.749 12.056 1.00 0.00 H new ATOM 0 HH22 ARG A 107 89.217 -0.284 12.212 1.00 0.00 H new ATOM 1771 N VAL A 108 93.289 -6.235 8.036 1.00 0.00 N ATOM 1772 CA VAL A 108 94.162 -7.227 7.353 1.00 0.00 C ATOM 1773 C VAL A 108 93.450 -7.822 6.143 1.00 0.00 C ATOM 1774 O VAL A 108 92.575 -8.647 6.269 1.00 0.00 O ATOM 1775 CB VAL A 108 94.518 -8.335 8.338 1.00 0.00 C ATOM 1776 CG1 VAL A 108 95.835 -8.975 7.923 1.00 0.00 C ATOM 1777 CG2 VAL A 108 94.680 -7.738 9.736 1.00 0.00 C ATOM 0 H VAL A 108 92.718 -6.608 8.795 1.00 0.00 H new ATOM 0 HA VAL A 108 95.069 -6.730 7.009 1.00 0.00 H new ATOM 0 HB VAL A 108 93.726 -9.083 8.343 1.00 0.00 H new ATOM 0 HG11 VAL A 108 96.092 -9.768 8.626 1.00 0.00 H new ATOM 0 HG12 VAL A 108 95.736 -9.395 6.922 1.00 0.00 H new ATOM 0 HG13 VAL A 108 96.622 -8.221 7.923 1.00 0.00 H new ATOM 0 HG21 VAL A 108 94.935 -8.529 10.442 1.00 0.00 H new ATOM 0 HG22 VAL A 108 95.475 -6.993 9.723 1.00 0.00 H new ATOM 0 HG23 VAL A 108 93.746 -7.266 10.041 1.00 0.00 H new ATOM 1787 N TYR A 109 93.829 -7.414 4.965 1.00 0.00 N ATOM 1788 CA TYR A 109 93.176 -7.963 3.749 1.00 0.00 C ATOM 1789 C TYR A 109 94.025 -9.112 3.193 1.00 0.00 C ATOM 1790 O TYR A 109 95.238 -9.106 3.291 1.00 0.00 O ATOM 1791 CB TYR A 109 93.066 -6.862 2.701 1.00 0.00 C ATOM 1792 CG TYR A 109 91.835 -6.029 2.964 1.00 0.00 C ATOM 1793 CD1 TYR A 109 90.607 -6.400 2.411 1.00 0.00 C ATOM 1794 CD2 TYR A 109 91.924 -4.879 3.752 1.00 0.00 C ATOM 1795 CE1 TYR A 109 89.471 -5.622 2.639 1.00 0.00 C ATOM 1796 CE2 TYR A 109 90.784 -4.097 3.980 1.00 0.00 C ATOM 1797 CZ TYR A 109 89.559 -4.469 3.421 1.00 0.00 C ATOM 1798 OH TYR A 109 88.436 -3.699 3.646 1.00 0.00 O ATOM 0 H TYR A 109 94.562 -6.725 4.793 1.00 0.00 H new ATOM 0 HA TYR A 109 92.182 -8.333 3.999 1.00 0.00 H new ATOM 0 HB2 TYR A 109 93.955 -6.232 2.727 1.00 0.00 H new ATOM 0 HB3 TYR A 109 93.014 -7.300 1.704 1.00 0.00 H new ATOM 0 HD1 TYR A 109 90.537 -7.291 1.805 1.00 0.00 H new ATOM 0 HD2 TYR A 109 92.871 -4.593 4.185 1.00 0.00 H new ATOM 0 HE1 TYR A 109 88.523 -5.912 2.210 1.00 0.00 H new ATOM 0 HE2 TYR A 109 90.852 -3.207 4.588 1.00 0.00 H new ATOM 0 HH TYR A 109 87.944 -3.585 2.806 1.00 0.00 H new ATOM 1808 N ARG A 110 93.401 -10.093 2.603 1.00 0.00 N ATOM 1809 CA ARG A 110 94.173 -11.233 2.039 1.00 0.00 C ATOM 1810 C ARG A 110 93.846 -11.378 0.554 1.00 0.00 C ATOM 1811 O ARG A 110 92.723 -11.650 0.178 1.00 0.00 O ATOM 1812 CB ARG A 110 93.792 -12.522 2.773 1.00 0.00 C ATOM 1813 CG ARG A 110 94.521 -12.581 4.117 1.00 0.00 C ATOM 1814 CD ARG A 110 93.717 -13.435 5.101 1.00 0.00 C ATOM 1815 NE ARG A 110 94.544 -14.597 5.537 1.00 0.00 N ATOM 1816 CZ ARG A 110 94.245 -15.244 6.633 1.00 0.00 C ATOM 1817 NH1 ARG A 110 93.220 -14.879 7.356 1.00 0.00 N ATOM 1818 NH2 ARG A 110 94.976 -16.260 7.007 1.00 0.00 N ATOM 0 H ARG A 110 92.389 -10.154 2.487 1.00 0.00 H new ATOM 0 HA ARG A 110 95.240 -11.048 2.163 1.00 0.00 H new ATOM 0 HB2 ARG A 110 92.714 -12.558 2.930 1.00 0.00 H new ATOM 0 HB3 ARG A 110 94.055 -13.389 2.167 1.00 0.00 H new ATOM 0 HG2 ARG A 110 95.517 -13.003 3.983 1.00 0.00 H new ATOM 0 HG3 ARG A 110 94.652 -11.575 4.516 1.00 0.00 H new ATOM 0 HD2 ARG A 110 93.425 -12.837 5.965 1.00 0.00 H new ATOM 0 HD3 ARG A 110 92.798 -13.784 4.630 1.00 0.00 H new ATOM 0 HE ARG A 110 95.346 -14.888 4.978 1.00 0.00 H new ATOM 0 HH11 ARG A 110 92.648 -14.086 7.066 1.00 0.00 H new ATOM 0 HH12 ARG A 110 92.991 -15.388 8.210 1.00 0.00 H new ATOM 0 HH21 ARG A 110 95.777 -16.546 6.444 1.00 0.00 H new ATOM 0 HH22 ARG A 110 94.746 -16.767 7.862 1.00 0.00 H new ATOM 1832 N MET A 111 94.820 -11.197 -0.293 1.00 0.00 N ATOM 1833 CA MET A 111 94.570 -11.326 -1.755 1.00 0.00 C ATOM 1834 C MET A 111 94.825 -12.771 -2.185 1.00 0.00 C ATOM 1835 O MET A 111 95.919 -13.124 -2.582 1.00 0.00 O ATOM 1836 CB MET A 111 95.511 -10.391 -2.518 1.00 0.00 C ATOM 1837 CG MET A 111 95.214 -8.941 -2.133 1.00 0.00 C ATOM 1838 SD MET A 111 95.217 -7.907 -3.620 1.00 0.00 S ATOM 1839 CE MET A 111 96.068 -6.478 -2.905 1.00 0.00 C ATOM 0 H MET A 111 95.779 -10.965 -0.036 1.00 0.00 H new ATOM 0 HA MET A 111 93.537 -11.057 -1.975 1.00 0.00 H new ATOM 0 HB2 MET A 111 96.548 -10.634 -2.287 1.00 0.00 H new ATOM 0 HB3 MET A 111 95.383 -10.527 -3.592 1.00 0.00 H new ATOM 0 HG2 MET A 111 94.247 -8.877 -1.635 1.00 0.00 H new ATOM 0 HG3 MET A 111 95.961 -8.581 -1.426 1.00 0.00 H new ATOM 0 HE1 MET A 111 96.582 -5.928 -3.694 1.00 0.00 H new ATOM 0 HE2 MET A 111 95.341 -5.825 -2.422 1.00 0.00 H new ATOM 0 HE3 MET A 111 96.795 -6.819 -2.168 1.00 0.00 H new ATOM 1849 N LEU A 112 93.826 -13.610 -2.104 1.00 0.00 N ATOM 1850 CA LEU A 112 94.007 -15.036 -2.503 1.00 0.00 C ATOM 1851 C LEU A 112 94.855 -15.113 -3.777 1.00 0.00 C ATOM 1852 O LEU A 112 94.925 -14.163 -4.531 1.00 0.00 O ATOM 1853 CB LEU A 112 92.638 -15.669 -2.767 1.00 0.00 C ATOM 1854 CG LEU A 112 91.865 -15.782 -1.453 1.00 0.00 C ATOM 1855 CD1 LEU A 112 90.475 -16.358 -1.725 1.00 0.00 C ATOM 1856 CD2 LEU A 112 92.620 -16.709 -0.497 1.00 0.00 C ATOM 0 H LEU A 112 92.890 -13.368 -1.778 1.00 0.00 H new ATOM 0 HA LEU A 112 94.511 -15.573 -1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 112 92.077 -15.064 -3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 112 92.762 -16.655 -3.214 1.00 0.00 H new ATOM 0 HG LEU A 112 91.767 -14.794 -1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.925 -16.438 -0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 112 89.936 -15.701 -2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 112 90.572 -17.346 -2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 112 92.070 -16.791 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 112 92.717 -17.696 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 112 93.612 -16.301 -0.302 1.00 0.00 H new ATOM 1868 N PRO A 113 95.477 -16.247 -3.974 1.00 0.00 N ATOM 1869 CA PRO A 113 96.337 -16.489 -5.143 1.00 0.00 C ATOM 1870 C PRO A 113 95.490 -16.767 -6.388 1.00 0.00 C ATOM 1871 O PRO A 113 95.283 -17.929 -6.693 1.00 0.00 O ATOM 1872 CB PRO A 113 97.148 -17.722 -4.748 1.00 0.00 C ATOM 1873 CG PRO A 113 96.335 -18.438 -3.650 1.00 0.00 C ATOM 1874 CD PRO A 113 95.380 -17.391 -3.049 1.00 0.00 C ATOM 1875 OXT PRO A 113 95.063 -15.811 -7.014 1.00 0.00 O ATOM 0 HA PRO A 113 96.966 -15.634 -5.392 1.00 0.00 H new ATOM 0 HB2 PRO A 113 97.304 -18.376 -5.606 1.00 0.00 H new ATOM 0 HB3 PRO A 113 98.134 -17.438 -4.380 1.00 0.00 H new ATOM 0 HG2 PRO A 113 95.777 -19.276 -4.067 1.00 0.00 H new ATOM 0 HG3 PRO A 113 96.995 -18.844 -2.883 1.00 0.00 H new ATOM 0 HD2 PRO A 113 94.360 -17.770 -2.988 1.00 0.00 H new ATOM 0 HD3 PRO A 113 95.678 -17.113 -2.038 1.00 0.00 H new TER 1883 PRO A 113