USER MOD reduce.3.24.130724 H: found=0, std=0, add=1404, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1400 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 Single : A 1 MET CE :methyl -116:sc= -0.0272 (180deg=-0.447) USER MOD Single : A 1 MET N :NH3+ -161:sc= 1.03 (180deg=0.701) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -103:sc= -1.73! (180deg=-5.05!) USER MOD Single : A 9 SER OG : rot -42:sc= 0.0226 USER MOD Single : A 10 GLN :FLIP amide:sc= -1.6 F(o=-5.5!,f=-1.6) USER MOD Single : A 12 GLN : amide:sc= -0.424 X(o=-0.42,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0219 USER MOD Single : A 15 THR OG1 : rot 180:sc=-0.00179 USER MOD Single : A 17 SER OG : rot -69:sc= 1.18 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0291 USER MOD Single : A 22 GLN : amide:sc=-0.00193 X(o=-0.0019,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0437 USER MOD Single : A 29 ASN : amide:sc= -7.15! C(o=-7.1!,f=-13!) USER MOD Single : A 31 GLN : amide:sc= -9.94! C(o=-9.9!,f=-15!) USER MOD Single : A 33 CYS SG : rot 130:sc= -6.72! USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN :FLIP amide:sc= -5.5! C(o=-9.4!,f=-5.5!) USER MOD Single : A 41 HIS : no HD1:sc= -4.09! C(o=-4.1!,f=-5.1!) USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= -0.422 (180deg=-1.16) USER MOD Single : A 48 THR OG1 : rot -110:sc= -0.0749 USER MOD Single : A 53 GLN : amide:sc= -1.21 K(o=-1.2,f=-2) USER MOD Single : A 56 TYR OH : rot -11:sc= 0.0434 USER MOD Single : A 61 TYR OH : rot 26:sc= 0.891 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.394 USER MOD Single : A 64 HIS : no HD1:sc= -0.37 K(o=-0.37,f=-3.9!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -146:sc= -0.329 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN :FLIP amide:sc= -2.21! C(o=-3.1!,f=-2.2!) USER MOD Single : A 75 SER OG : rot -82:sc= 0.407 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -117:sc= -0.0433 (180deg=-0.442) USER MOD Single : B 1 MET N :NH3+ -165:sc= 1.02 (180deg=0.566) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ -107:sc= -1.59! (180deg=-4.79!) USER MOD Single : B 9 SER OG : rot -45:sc= 0.0198 USER MOD Single : B 10 GLN :FLIP amide:sc= -1.53 F(o=-5.3!,f=-1.5) USER MOD Single : B 12 GLN : amide:sc= -0.386 X(o=-0.39,f=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= -0.025 USER MOD Single : B 15 THR OG1 : rot 180:sc=-0.00387 USER MOD Single : B 17 SER OG : rot -68:sc= 1.13 USER MOD Single : B 20 SER OG : rot 180:sc= 0.035 USER MOD Single : B 22 GLN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 SER OG : rot 83:sc= 0.0278 USER MOD Single : B 29 ASN : amide:sc= -7.38! C(o=-7.4!,f=-13!) USER MOD Single : B 31 GLN : amide:sc= -10.1! C(o=-10!,f=-15!) USER MOD Single : B 33 CYS SG : rot 130:sc= -6.73! USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 ASN :FLIP amide:sc= -5.62! C(o=-9.4!,f=-5.6!) USER MOD Single : B 41 HIS : no HD1:sc= -4.07! C(o=-4.1!,f=-5.2!) USER MOD Single : B 46 LYS NZ :NH3+ 161:sc= -0.399 (180deg=-1.36) USER MOD Single : B 48 THR OG1 : rot -110:sc= -0.0761 USER MOD Single : B 53 GLN : amide:sc= -1.24 K(o=-1.2,f=-2.1) USER MOD Single : B 56 TYR OH : rot -13:sc= 0.0402 USER MOD Single : B 61 TYR OH : rot 27:sc= 0.847 USER MOD Single : B 62 THR OG1 : rot -90:sc= -0.404 USER MOD Single : B 64 HIS : no HD1:sc= -0.372 K(o=-0.37,f=-4.1!) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot -139:sc= -0.119 USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 GLN :FLIP amide:sc= -2.21! C(o=-3.1!,f=-2.2!) USER MOD Single : B 75 SER OG : rot -83:sc= 0.366 USER MOD Single : B 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.846 17.693 3.075 1.00 42.32 N ATOM 2 CA MET A 1 -1.812 16.643 2.854 1.00 40.89 C ATOM 3 C MET A 1 -1.816 15.669 4.031 1.00 34.75 C ATOM 4 O MET A 1 -2.480 15.883 5.026 1.00 33.97 O ATOM 5 CB MET A 1 -0.427 17.300 2.741 1.00 48.45 C ATOM 6 CG MET A 1 0.079 17.706 4.132 1.00 56.13 C ATOM 7 SD MET A 1 -0.907 19.094 4.749 1.00 64.91 S ATOM 8 CE MET A 1 -0.104 20.391 3.777 1.00 63.43 C ATOM 0 H1 MET A 1 -3.073 18.153 2.170 1.00 42.32 H new ATOM 0 H2 MET A 1 -3.705 17.257 3.467 1.00 42.32 H new ATOM 0 H3 MET A 1 -2.483 18.403 3.742 1.00 42.32 H new ATOM 0 HA MET A 1 -2.035 16.104 1.933 1.00 40.89 H new ATOM 0 HB2 MET A 1 0.276 16.608 2.278 1.00 48.45 H new ATOM 0 HB3 MET A 1 -0.483 18.177 2.096 1.00 48.45 H new ATOM 0 HG2 MET A 1 0.008 16.862 4.818 1.00 56.13 H new ATOM 0 HG3 MET A 1 1.131 17.987 4.081 1.00 56.13 H new ATOM 0 HE1 MET A 1 0.396 21.091 4.447 1.00 63.43 H new ATOM 0 HE2 MET A 1 0.630 19.942 3.107 1.00 63.43 H new ATOM 0 HE3 MET A 1 -0.853 20.923 3.190 1.00 63.43 H new ATOM 20 N ILE A 2 -1.061 14.611 3.935 1.00 28.59 N ATOM 21 CA ILE A 2 -1.003 13.637 5.058 1.00 24.58 C ATOM 22 C ILE A 2 -0.314 14.315 6.239 1.00 19.29 C ATOM 23 O ILE A 2 0.864 14.139 6.473 1.00 19.53 O ATOM 24 CB ILE A 2 -0.205 12.411 4.626 1.00 25.10 C ATOM 25 CG1 ILE A 2 -0.658 11.969 3.238 1.00 28.92 C ATOM 26 CG2 ILE A 2 -0.440 11.272 5.614 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.566 11.603 2.411 1.00 33.80 C ATOM 0 H ILE A 2 -0.482 14.379 3.128 1.00 28.59 H new ATOM 0 HA ILE A 2 -2.007 13.320 5.341 1.00 24.58 H new ATOM 0 HB ILE A 2 0.855 12.664 4.603 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -1.329 11.114 3.316 1.00 28.92 H new ATOM 0 HG13 ILE A 2 -1.216 12.769 2.751 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.131 10.397 5.303 1.00 23.06 H new ATOM 0 HG22 ILE A 2 -0.118 11.581 6.609 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.501 11.023 5.637 1.00 23.06 H new ATOM 0 HD11 ILE A 2 0.252 11.286 1.417 1.00 33.80 H new ATOM 0 HD12 ILE A 2 1.220 12.471 2.325 1.00 33.80 H new ATOM 0 HD13 ILE A 2 1.104 10.790 2.898 1.00 33.80 H new ATOM 39 N LYS A 3 -1.040 15.114 6.966 1.00 18.14 N ATOM 40 CA LYS A 3 -0.436 15.842 8.116 1.00 16.66 C ATOM 41 C LYS A 3 0.031 14.867 9.193 1.00 14.94 C ATOM 42 O LYS A 3 -0.479 13.773 9.330 1.00 13.94 O ATOM 43 CB LYS A 3 -1.470 16.802 8.710 1.00 16.94 C ATOM 44 CG LYS A 3 -1.147 18.233 8.276 1.00 17.85 C ATOM 45 CD LYS A 3 -0.538 18.999 9.453 1.00 19.63 C ATOM 46 CE LYS A 3 -1.170 20.390 9.541 1.00 26.28 C ATOM 47 NZ LYS A 3 -0.640 21.247 8.444 1.00 32.72 N ATOM 0 H LYS A 3 -2.032 15.296 6.813 1.00 18.14 H new ATOM 0 HA LYS A 3 0.429 16.401 7.757 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -2.471 16.527 8.377 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -1.465 16.731 9.798 1.00 16.94 H new ATOM 0 HG2 LYS A 3 -0.451 18.221 7.437 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -2.052 18.733 7.932 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -0.705 18.453 10.381 1.00 19.63 H new ATOM 0 HD3 LYS A 3 0.541 19.086 9.324 1.00 19.63 H new ATOM 0 HE2 LYS A 3 -2.255 20.314 9.465 1.00 26.28 H new ATOM 0 HE3 LYS A 3 -0.949 20.841 10.508 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -1.069 22.192 8.504 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 0.393 21.329 8.536 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -0.873 20.818 7.525 1.00 32.72 H new ATOM 61 N VAL A 4 1.003 15.273 9.963 1.00 12.42 N ATOM 62 CA VAL A 4 1.524 14.401 11.046 1.00 12.99 C ATOM 63 C VAL A 4 2.333 15.262 12.024 1.00 14.26 C ATOM 64 O VAL A 4 2.684 16.387 11.735 1.00 13.80 O ATOM 65 CB VAL A 4 2.396 13.272 10.439 1.00 12.94 C ATOM 66 CG1 VAL A 4 2.963 13.701 9.085 1.00 14.46 C ATOM 67 CG2 VAL A 4 3.553 12.914 11.384 1.00 10.41 C ATOM 0 H VAL A 4 1.461 16.181 9.885 1.00 12.42 H new ATOM 0 HA VAL A 4 0.700 13.932 11.585 1.00 12.99 H new ATOM 0 HB VAL A 4 1.762 12.396 10.302 1.00 12.94 H new ATOM 0 HG11 VAL A 4 3.572 12.896 8.674 1.00 14.46 H new ATOM 0 HG12 VAL A 4 2.144 13.921 8.401 1.00 14.46 H new ATOM 0 HG13 VAL A 4 3.578 14.592 9.214 1.00 14.46 H new ATOM 0 HG21 VAL A 4 4.153 12.120 10.940 1.00 10.41 H new ATOM 0 HG22 VAL A 4 4.177 13.793 11.545 1.00 10.41 H new ATOM 0 HG23 VAL A 4 3.151 12.574 12.339 1.00 10.41 H new ATOM 77 N GLU A 5 2.616 14.741 13.184 1.00 9.27 N ATOM 78 CA GLU A 5 3.391 15.522 14.192 1.00 10.51 C ATOM 79 C GLU A 5 4.351 14.594 14.920 1.00 10.00 C ATOM 80 O GLU A 5 3.952 13.722 15.661 1.00 10.96 O ATOM 81 CB GLU A 5 2.427 16.148 15.199 1.00 10.42 C ATOM 82 CG GLU A 5 1.867 17.443 14.615 1.00 18.68 C ATOM 83 CD GLU A 5 1.010 18.152 15.666 1.00 18.63 C ATOM 84 OE1 GLU A 5 1.471 18.284 16.787 1.00 22.12 O ATOM 85 OE2 GLU A 5 -0.093 18.553 15.330 1.00 19.38 O ATOM 0 H GLU A 5 2.344 13.804 13.481 1.00 9.27 H new ATOM 0 HA GLU A 5 3.955 16.308 13.690 1.00 10.51 H new ATOM 0 HB2 GLU A 5 1.616 15.455 15.424 1.00 10.42 H new ATOM 0 HB3 GLU A 5 2.943 16.351 16.138 1.00 10.42 H new ATOM 0 HG2 GLU A 5 2.682 18.093 14.297 1.00 18.68 H new ATOM 0 HG3 GLU A 5 1.269 17.226 13.730 1.00 18.68 H new ATOM 92 N ILE A 6 5.620 14.779 14.723 1.00 9.86 N ATOM 93 CA ILE A 6 6.596 13.901 15.427 1.00 10.60 C ATOM 94 C ILE A 6 6.642 14.321 16.904 1.00 10.16 C ATOM 95 O ILE A 6 7.219 15.330 17.257 1.00 11.64 O ATOM 96 CB ILE A 6 7.982 14.008 14.753 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.103 12.904 13.699 1.00 14.23 C ATOM 98 CG2 ILE A 6 9.101 13.829 15.776 1.00 12.29 C ATOM 99 CD1 ILE A 6 7.975 13.504 12.299 1.00 13.81 C ATOM 0 H ILE A 6 6.025 15.490 14.114 1.00 9.86 H new ATOM 0 HA ILE A 6 6.291 12.856 15.368 1.00 10.60 H new ATOM 0 HB ILE A 6 8.075 14.994 14.299 1.00 9.14 H new ATOM 0 HG12 ILE A 6 9.062 12.396 13.800 1.00 14.23 H new ATOM 0 HG13 ILE A 6 7.328 12.154 13.855 1.00 14.23 H new ATOM 0 HG21 ILE A 6 10.067 13.909 15.277 1.00 12.29 H new ATOM 0 HG22 ILE A 6 9.023 14.603 16.540 1.00 12.29 H new ATOM 0 HG23 ILE A 6 9.014 12.848 16.243 1.00 12.29 H new ATOM 0 HD11 ILE A 6 8.062 12.713 11.555 1.00 13.81 H new ATOM 0 HD12 ILE A 6 7.005 13.991 12.199 1.00 13.81 H new ATOM 0 HD13 ILE A 6 8.767 14.237 12.144 1.00 13.81 H new ATOM 111 N LYS A 7 6.019 13.554 17.766 1.00 11.63 N ATOM 112 CA LYS A 7 6.001 13.899 19.214 1.00 11.59 C ATOM 113 C LYS A 7 7.414 14.270 19.678 1.00 12.98 C ATOM 114 O LYS A 7 8.368 14.102 18.945 1.00 9.79 O ATOM 115 CB LYS A 7 5.498 12.684 20.000 1.00 12.52 C ATOM 116 CG LYS A 7 4.033 12.890 20.409 1.00 14.26 C ATOM 117 CD LYS A 7 3.239 13.500 19.253 1.00 15.70 C ATOM 118 CE LYS A 7 2.835 14.927 19.611 1.00 19.19 C ATOM 119 NZ LYS A 7 3.487 15.882 18.670 1.00 25.43 N ATOM 0 H LYS A 7 5.520 12.698 17.522 1.00 11.63 H new ATOM 0 HA LYS A 7 5.342 14.750 19.385 1.00 11.59 H new ATOM 0 HB2 LYS A 7 5.591 11.784 19.392 1.00 12.52 H new ATOM 0 HB3 LYS A 7 6.114 12.535 20.887 1.00 12.52 H new ATOM 0 HG2 LYS A 7 3.592 11.936 20.699 1.00 14.26 H new ATOM 0 HG3 LYS A 7 3.980 13.543 21.280 1.00 14.26 H new ATOM 0 HD2 LYS A 7 3.840 13.498 18.344 1.00 15.70 H new ATOM 0 HD3 LYS A 7 2.352 12.900 19.050 1.00 15.70 H new ATOM 0 HE2 LYS A 7 1.751 15.033 19.560 1.00 19.19 H new ATOM 0 HE3 LYS A 7 3.129 15.153 20.636 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 4.294 16.338 19.142 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 3.823 15.368 17.831 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 2.800 16.607 18.380 1.00 25.43 H new ATOM 133 N PRO A 8 7.502 14.762 20.889 1.00 13.56 N ATOM 134 CA PRO A 8 8.786 15.165 21.488 1.00 11.93 C ATOM 135 C PRO A 8 9.566 13.927 21.920 1.00 10.20 C ATOM 136 O PRO A 8 10.781 13.910 21.925 1.00 12.05 O ATOM 137 CB PRO A 8 8.374 16.016 22.692 1.00 12.78 C ATOM 138 CG PRO A 8 6.926 15.599 23.044 1.00 12.51 C ATOM 139 CD PRO A 8 6.334 14.957 21.774 1.00 13.61 C ATOM 0 HA PRO A 8 9.436 15.711 20.804 1.00 11.93 H new ATOM 0 HB2 PRO A 8 9.043 15.846 23.535 1.00 12.78 H new ATOM 0 HB3 PRO A 8 8.425 17.078 22.453 1.00 12.78 H new ATOM 0 HG2 PRO A 8 6.917 14.894 23.875 1.00 12.51 H new ATOM 0 HG3 PRO A 8 6.338 16.463 23.352 1.00 12.51 H new ATOM 0 HD2 PRO A 8 5.842 14.011 21.998 1.00 13.61 H new ATOM 0 HD3 PRO A 8 5.587 15.603 21.312 1.00 13.61 H new ATOM 147 N SER A 9 8.870 12.884 22.263 1.00 10.65 N ATOM 148 CA SER A 9 9.556 11.631 22.676 1.00 10.83 C ATOM 149 C SER A 9 9.895 10.816 21.426 1.00 10.94 C ATOM 150 O SER A 9 10.474 9.751 21.503 1.00 13.16 O ATOM 151 CB SER A 9 8.634 10.819 23.587 1.00 13.01 C ATOM 152 OG SER A 9 9.413 9.909 24.352 1.00 15.52 O ATOM 0 H SER A 9 7.851 12.844 22.276 1.00 10.65 H new ATOM 0 HA SER A 9 10.471 11.871 23.218 1.00 10.83 H new ATOM 0 HB2 SER A 9 8.078 11.484 24.248 1.00 13.01 H new ATOM 0 HB3 SER A 9 7.901 10.276 22.991 1.00 13.01 H new ATOM 0 HG SER A 9 10.095 9.500 23.779 1.00 15.52 H new ATOM 158 N GLN A 10 9.541 11.316 20.271 1.00 10.02 N ATOM 159 CA GLN A 10 9.841 10.584 19.011 1.00 11.55 C ATOM 160 C GLN A 10 10.770 11.432 18.143 1.00 13.72 C ATOM 161 O GLN A 10 10.655 11.450 16.935 1.00 17.31 O ATOM 162 CB GLN A 10 8.542 10.326 18.254 1.00 6.60 C ATOM 163 CG GLN A 10 7.456 9.939 19.250 1.00 7.20 C ATOM 164 CD GLN A 10 7.884 8.689 20.023 1.00 10.36 C ATOM 165 OE1 GLN A 10 8.819 7.919 19.536 1.00 13.01 O flip ATOM 166 NE2 GLN A 10 7.361 8.410 21.084 1.00 4.80 N flip ATOM 0 H GLN A 10 9.055 12.204 20.149 1.00 10.02 H new ATOM 0 HA GLN A 10 10.323 9.635 19.246 1.00 11.55 H new ATOM 0 HB2 GLN A 10 8.245 11.217 17.701 1.00 6.60 H new ATOM 0 HB3 GLN A 10 8.684 9.530 17.523 1.00 6.60 H new ATOM 0 HG2 GLN A 10 7.274 10.761 19.942 1.00 7.20 H new ATOM 0 HG3 GLN A 10 6.519 9.751 18.726 1.00 7.20 H new ATOM 0 HE21 GLN A 10 6.630 9.011 21.466 1.00 4.80 H new ATOM 0 HE22 GLN A 10 7.653 7.575 21.593 1.00 4.80 H new ATOM 175 N ALA A 11 11.677 12.152 18.747 1.00 15.28 N ATOM 176 CA ALA A 11 12.596 13.013 17.947 1.00 18.95 C ATOM 177 C ALA A 11 13.962 12.339 17.792 1.00 20.75 C ATOM 178 O ALA A 11 14.914 12.946 17.345 1.00 24.78 O ATOM 179 CB ALA A 11 12.772 14.360 18.651 1.00 17.72 C ATOM 0 H ALA A 11 11.821 12.181 19.756 1.00 15.28 H new ATOM 0 HA ALA A 11 12.164 13.164 16.958 1.00 18.95 H new ATOM 0 HB1 ALA A 11 13.443 14.990 18.068 1.00 17.72 H new ATOM 0 HB2 ALA A 11 11.803 14.851 18.745 1.00 17.72 H new ATOM 0 HB3 ALA A 11 13.195 14.200 19.643 1.00 17.72 H new ATOM 185 N GLN A 12 14.070 11.092 18.154 1.00 22.50 N ATOM 186 CA GLN A 12 15.370 10.391 18.023 1.00 25.43 C ATOM 187 C GLN A 12 15.112 8.965 17.512 1.00 22.80 C ATOM 188 O GLN A 12 14.264 8.260 18.021 1.00 20.93 O ATOM 189 CB GLN A 12 16.055 10.363 19.397 1.00 30.18 C ATOM 190 CG GLN A 12 16.922 9.115 19.524 1.00 42.11 C ATOM 191 CD GLN A 12 18.009 9.346 20.576 1.00 46.61 C ATOM 192 OE1 GLN A 12 19.084 8.785 20.489 1.00 46.27 O ATOM 193 NE2 GLN A 12 17.774 10.153 21.574 1.00 47.90 N ATOM 0 H GLN A 12 13.310 10.529 18.536 1.00 22.50 H new ATOM 0 HA GLN A 12 16.021 10.906 17.316 1.00 25.43 H new ATOM 0 HB2 GLN A 12 16.667 11.256 19.525 1.00 30.18 H new ATOM 0 HB3 GLN A 12 15.304 10.376 20.187 1.00 30.18 H new ATOM 0 HG2 GLN A 12 16.307 8.260 19.805 1.00 42.11 H new ATOM 0 HG3 GLN A 12 17.378 8.878 18.563 1.00 42.11 H new ATOM 0 HE21 GLN A 12 16.872 10.624 21.648 1.00 47.90 H new ATOM 0 HE22 GLN A 12 18.492 10.313 22.281 1.00 47.90 H new ATOM 202 N PHE A 13 15.832 8.537 16.508 1.00 21.61 N ATOM 203 CA PHE A 13 15.620 7.170 15.971 1.00 20.51 C ATOM 204 C PHE A 13 16.444 6.161 16.762 1.00 18.83 C ATOM 205 O PHE A 13 17.203 6.510 17.645 1.00 18.83 O ATOM 206 CB PHE A 13 16.081 7.136 14.520 1.00 19.56 C ATOM 207 CG PHE A 13 17.476 7.714 14.446 1.00 19.62 C ATOM 208 CD1 PHE A 13 18.584 6.917 14.753 1.00 20.50 C ATOM 209 CD2 PHE A 13 17.658 9.054 14.081 1.00 15.55 C ATOM 210 CE1 PHE A 13 19.873 7.459 14.692 1.00 20.75 C ATOM 211 CE2 PHE A 13 18.945 9.596 14.022 1.00 14.07 C ATOM 212 CZ PHE A 13 20.053 8.799 14.326 1.00 18.48 C ATOM 0 H PHE A 13 16.558 9.080 16.039 1.00 21.61 H new ATOM 0 HA PHE A 13 14.563 6.916 16.048 1.00 20.51 H new ATOM 0 HB2 PHE A 13 16.075 6.113 14.144 1.00 19.56 H new ATOM 0 HB3 PHE A 13 15.399 7.710 13.892 1.00 19.56 H new ATOM 0 HD1 PHE A 13 18.445 5.884 15.037 1.00 20.50 H new ATOM 0 HD2 PHE A 13 16.802 9.669 13.845 1.00 15.55 H new ATOM 0 HE1 PHE A 13 20.729 6.844 14.927 1.00 20.75 H new ATOM 0 HE2 PHE A 13 19.084 10.630 13.742 1.00 14.07 H new ATOM 0 HZ PHE A 13 21.048 9.217 14.279 1.00 18.48 H new ATOM 222 N THR A 14 16.313 4.911 16.429 1.00 14.89 N ATOM 223 CA THR A 14 17.100 3.864 17.127 1.00 13.37 C ATOM 224 C THR A 14 17.752 2.972 16.077 1.00 11.97 C ATOM 225 O THR A 14 17.358 2.965 14.929 1.00 10.76 O ATOM 226 CB THR A 14 16.182 3.023 18.014 1.00 13.68 C ATOM 227 OG1 THR A 14 16.956 2.060 18.714 1.00 13.48 O ATOM 228 CG2 THR A 14 15.143 2.313 17.145 1.00 9.24 C ATOM 0 H THR A 14 15.690 4.568 15.698 1.00 14.89 H new ATOM 0 HA THR A 14 17.861 4.329 17.754 1.00 13.37 H new ATOM 0 HB THR A 14 15.673 3.669 18.729 1.00 13.68 H new ATOM 0 HG1 THR A 14 16.369 1.521 19.285 1.00 13.48 H new ATOM 0 HG21 THR A 14 14.488 1.713 17.777 1.00 9.24 H new ATOM 0 HG22 THR A 14 14.550 3.054 16.608 1.00 9.24 H new ATOM 0 HG23 THR A 14 15.649 1.665 16.429 1.00 9.24 H new ATOM 236 N THR A 15 18.747 2.223 16.449 1.00 13.20 N ATOM 237 CA THR A 15 19.417 1.345 15.451 1.00 12.54 C ATOM 238 C THR A 15 19.106 -0.121 15.752 1.00 14.34 C ATOM 239 O THR A 15 18.691 -0.471 16.839 1.00 17.35 O ATOM 240 CB THR A 15 20.929 1.569 15.507 1.00 11.88 C ATOM 241 OG1 THR A 15 21.547 0.882 14.429 1.00 17.15 O ATOM 242 CG2 THR A 15 21.473 1.040 16.831 1.00 8.30 C ATOM 0 H THR A 15 19.125 2.179 17.395 1.00 13.20 H new ATOM 0 HA THR A 15 19.048 1.590 14.455 1.00 12.54 H new ATOM 0 HB THR A 15 21.144 2.635 15.429 1.00 11.88 H new ATOM 0 HG1 THR A 15 22.516 1.026 14.462 1.00 17.15 H new ATOM 0 HG21 THR A 15 22.551 1.199 16.871 1.00 8.30 H new ATOM 0 HG22 THR A 15 20.997 1.568 17.657 1.00 8.30 H new ATOM 0 HG23 THR A 15 21.261 -0.026 16.912 1.00 8.30 H new ATOM 250 N ARG A 16 19.305 -0.978 14.790 1.00 15.28 N ATOM 251 CA ARG A 16 19.027 -2.426 15.002 1.00 15.21 C ATOM 252 C ARG A 16 19.411 -3.197 13.738 1.00 16.91 C ATOM 253 O ARG A 16 19.280 -2.704 12.636 1.00 17.29 O ATOM 254 CB ARG A 16 17.539 -2.626 15.296 1.00 15.77 C ATOM 255 CG ARG A 16 17.352 -2.965 16.776 1.00 21.61 C ATOM 256 CD ARG A 16 17.491 -4.475 16.977 1.00 24.15 C ATOM 257 NE ARG A 16 17.890 -4.756 18.386 1.00 30.82 N ATOM 258 CZ ARG A 16 17.780 -5.964 18.872 1.00 29.13 C ATOM 259 NH1 ARG A 16 17.319 -6.932 18.127 1.00 34.38 N ATOM 260 NH2 ARG A 16 18.132 -6.203 20.106 1.00 25.71 N ATOM 0 H ARG A 16 19.650 -0.736 13.861 1.00 15.28 H new ATOM 0 HA ARG A 16 19.609 -2.793 15.847 1.00 15.21 H new ATOM 0 HB2 ARG A 16 16.983 -1.722 15.046 1.00 15.77 H new ATOM 0 HB3 ARG A 16 17.139 -3.428 14.675 1.00 15.77 H new ATOM 0 HG2 ARG A 16 18.093 -2.438 17.377 1.00 21.61 H new ATOM 0 HG3 ARG A 16 16.371 -2.631 17.115 1.00 21.61 H new ATOM 0 HD2 ARG A 16 16.547 -4.971 16.750 1.00 24.15 H new ATOM 0 HD3 ARG A 16 18.236 -4.877 16.290 1.00 24.15 H new ATOM 0 HE ARG A 16 18.250 -4.003 18.972 1.00 30.82 H new ATOM 0 HH11 ARG A 16 17.043 -6.746 17.163 1.00 34.38 H new ATOM 0 HH12 ARG A 16 17.234 -7.874 18.509 1.00 34.38 H new ATOM 0 HH21 ARG A 16 18.492 -5.448 20.689 1.00 25.71 H new ATOM 0 HH22 ARG A 16 18.047 -7.145 20.487 1.00 25.71 H new ATOM 274 N SER A 17 19.891 -4.399 13.887 1.00 22.35 N ATOM 275 CA SER A 17 20.290 -5.192 12.689 1.00 28.62 C ATOM 276 C SER A 17 19.070 -5.433 11.799 1.00 31.32 C ATOM 277 O SER A 17 18.399 -6.441 11.905 1.00 33.90 O ATOM 278 CB SER A 17 20.870 -6.536 13.133 1.00 30.78 C ATOM 279 OG SER A 17 20.541 -7.531 12.171 1.00 38.77 O ATOM 0 H SER A 17 20.025 -4.867 14.783 1.00 22.35 H new ATOM 0 HA SER A 17 21.043 -4.639 12.128 1.00 28.62 H new ATOM 0 HB2 SER A 17 21.952 -6.461 13.240 1.00 30.78 H new ATOM 0 HB3 SER A 17 20.472 -6.812 14.109 1.00 30.78 H new ATOM 0 HG SER A 17 19.578 -7.708 12.200 1.00 38.77 H new ATOM 285 N GLY A 18 18.785 -4.517 10.917 1.00 32.28 N ATOM 286 CA GLY A 18 17.617 -4.688 10.007 1.00 32.82 C ATOM 287 C GLY A 18 17.996 -5.650 8.882 1.00 34.58 C ATOM 288 O GLY A 18 19.074 -6.207 8.872 1.00 34.04 O ATOM 0 H GLY A 18 19.312 -3.654 10.786 1.00 32.28 H new ATOM 0 HA2 GLY A 18 16.762 -5.076 10.561 1.00 32.82 H new ATOM 0 HA3 GLY A 18 17.318 -3.725 9.593 1.00 32.82 H new ATOM 292 N VAL A 19 17.130 -5.843 7.926 1.00 36.31 N ATOM 293 CA VAL A 19 17.462 -6.763 6.800 1.00 38.94 C ATOM 294 C VAL A 19 16.750 -6.286 5.536 1.00 39.44 C ATOM 295 O VAL A 19 15.538 -6.229 5.477 1.00 39.08 O ATOM 296 CB VAL A 19 17.010 -8.185 7.135 1.00 39.83 C ATOM 297 CG1 VAL A 19 17.923 -9.191 6.429 1.00 41.87 C ATOM 298 CG2 VAL A 19 17.083 -8.405 8.649 1.00 39.95 C ATOM 0 H VAL A 19 16.210 -5.406 7.875 1.00 36.31 H new ATOM 0 HA VAL A 19 18.540 -6.762 6.640 1.00 38.94 H new ATOM 0 HB VAL A 19 15.983 -8.326 6.798 1.00 39.83 H new ATOM 0 HG11 VAL A 19 17.601 -10.205 6.668 1.00 41.87 H new ATOM 0 HG12 VAL A 19 17.869 -9.037 5.351 1.00 41.87 H new ATOM 0 HG13 VAL A 19 18.950 -9.048 6.765 1.00 41.87 H new ATOM 0 HG21 VAL A 19 16.760 -9.419 8.885 1.00 39.95 H new ATOM 0 HG22 VAL A 19 18.109 -8.262 8.988 1.00 39.95 H new ATOM 0 HG23 VAL A 19 16.432 -7.691 9.152 1.00 39.95 H new ATOM 308 N SER A 20 17.496 -5.929 4.529 1.00 41.09 N ATOM 309 CA SER A 20 16.867 -5.440 3.270 1.00 44.70 C ATOM 310 C SER A 20 15.792 -6.430 2.808 1.00 47.21 C ATOM 311 O SER A 20 14.660 -6.377 3.246 1.00 47.07 O ATOM 312 CB SER A 20 17.937 -5.299 2.187 1.00 44.37 C ATOM 313 OG SER A 20 18.961 -6.260 2.410 1.00 46.57 O ATOM 0 H SER A 20 18.516 -5.955 4.523 1.00 41.09 H new ATOM 0 HA SER A 20 16.404 -4.470 3.451 1.00 44.70 H new ATOM 0 HB2 SER A 20 17.495 -5.444 1.201 1.00 44.37 H new ATOM 0 HB3 SER A 20 18.357 -4.293 2.203 1.00 44.37 H new ATOM 0 HG SER A 20 19.648 -6.173 1.716 1.00 46.57 H new ATOM 319 N ARG A 21 16.132 -7.330 1.924 1.00 50.78 N ATOM 320 CA ARG A 21 15.123 -8.313 1.438 1.00 55.55 C ATOM 321 C ARG A 21 15.589 -9.733 1.768 1.00 55.58 C ATOM 322 O ARG A 21 15.636 -10.596 0.914 1.00 54.47 O ATOM 323 CB ARG A 21 14.961 -8.168 -0.075 1.00 59.49 C ATOM 324 CG ARG A 21 14.036 -9.268 -0.601 1.00 60.53 C ATOM 325 CD ARG A 21 13.159 -8.705 -1.722 1.00 64.36 C ATOM 326 NE ARG A 21 13.892 -8.794 -3.017 1.00 68.68 N ATOM 327 CZ ARG A 21 13.251 -8.647 -4.146 1.00 71.11 C ATOM 328 NH1 ARG A 21 11.965 -8.418 -4.146 1.00 70.71 N ATOM 329 NH2 ARG A 21 13.898 -8.727 -5.276 1.00 71.56 N ATOM 0 H ARG A 21 17.063 -7.426 1.519 1.00 50.78 H new ATOM 0 HA ARG A 21 14.167 -8.124 1.927 1.00 55.55 H new ATOM 0 HB2 ARG A 21 14.549 -7.188 -0.314 1.00 59.49 H new ATOM 0 HB3 ARG A 21 15.934 -8.233 -0.563 1.00 59.49 H new ATOM 0 HG2 ARG A 21 14.625 -10.107 -0.972 1.00 60.53 H new ATOM 0 HG3 ARG A 21 13.412 -9.650 0.207 1.00 60.53 H new ATOM 0 HD2 ARG A 21 12.224 -9.262 -1.782 1.00 64.36 H new ATOM 0 HD3 ARG A 21 12.899 -7.668 -1.509 1.00 64.36 H new ATOM 0 HE ARG A 21 14.897 -8.970 -3.022 1.00 68.68 H new ATOM 0 HH11 ARG A 21 11.458 -8.353 -3.263 1.00 70.71 H new ATOM 0 HH12 ARG A 21 11.467 -8.304 -5.029 1.00 70.71 H new ATOM 0 HH21 ARG A 21 14.903 -8.904 -5.277 1.00 71.56 H new ATOM 0 HH22 ARG A 21 13.399 -8.613 -6.158 1.00 71.56 H new ATOM 343 N GLN A 22 15.932 -9.982 3.002 1.00 57.32 N ATOM 344 CA GLN A 22 16.393 -11.345 3.389 1.00 58.73 C ATOM 345 C GLN A 22 17.740 -11.639 2.727 1.00 58.18 C ATOM 346 O GLN A 22 18.194 -12.766 2.694 1.00 59.52 O ATOM 347 CB GLN A 22 15.362 -12.382 2.936 1.00 62.32 C ATOM 348 CG GLN A 22 13.968 -11.949 3.394 1.00 65.12 C ATOM 349 CD GLN A 22 13.113 -13.187 3.671 1.00 66.38 C ATOM 350 OE1 GLN A 22 12.483 -13.285 4.705 1.00 66.60 O ATOM 351 NE2 GLN A 22 13.065 -14.142 2.784 1.00 65.96 N ATOM 0 H GLN A 22 15.913 -9.299 3.760 1.00 57.32 H new ATOM 0 HA GLN A 22 16.505 -11.394 4.472 1.00 58.73 H new ATOM 0 HB2 GLN A 22 15.385 -12.483 1.851 1.00 62.32 H new ATOM 0 HB3 GLN A 22 15.606 -13.359 3.353 1.00 62.32 H new ATOM 0 HG2 GLN A 22 14.043 -11.337 4.293 1.00 65.12 H new ATOM 0 HG3 GLN A 22 13.497 -11.333 2.628 1.00 65.12 H new ATOM 0 HE21 GLN A 22 13.594 -14.059 1.916 1.00 65.96 H new ATOM 0 HE22 GLN A 22 12.498 -14.972 2.958 1.00 65.96 H new ATOM 360 N GLY A 23 18.384 -10.634 2.204 1.00 55.49 N ATOM 361 CA GLY A 23 19.703 -10.853 1.548 1.00 50.89 C ATOM 362 C GLY A 23 20.820 -10.539 2.543 1.00 48.17 C ATOM 363 O GLY A 23 21.706 -11.339 2.773 1.00 50.32 O ATOM 0 H GLY A 23 18.054 -9.669 2.202 1.00 55.49 H new ATOM 0 HA2 GLY A 23 19.785 -11.884 1.205 1.00 50.89 H new ATOM 0 HA3 GLY A 23 19.795 -10.216 0.668 1.00 50.89 H new ATOM 367 N LYS A 24 20.781 -9.380 3.139 1.00 44.99 N ATOM 368 CA LYS A 24 21.834 -9.010 4.124 1.00 42.22 C ATOM 369 C LYS A 24 21.224 -8.091 5.185 1.00 42.41 C ATOM 370 O LYS A 24 20.319 -7.335 4.897 1.00 42.26 O ATOM 371 CB LYS A 24 22.972 -8.279 3.407 1.00 40.33 C ATOM 372 CG LYS A 24 23.545 -9.178 2.309 1.00 40.86 C ATOM 373 CD LYS A 24 24.792 -8.524 1.712 1.00 37.00 C ATOM 374 CE LYS A 24 24.524 -8.147 0.254 1.00 36.58 C ATOM 375 NZ LYS A 24 25.045 -6.775 -0.008 1.00 34.22 N ATOM 0 H LYS A 24 20.063 -8.672 2.986 1.00 44.99 H new ATOM 0 HA LYS A 24 22.227 -9.909 4.598 1.00 42.22 H new ATOM 0 HB2 LYS A 24 22.605 -7.348 2.975 1.00 40.33 H new ATOM 0 HB3 LYS A 24 23.753 -8.014 4.119 1.00 40.33 H new ATOM 0 HG2 LYS A 24 23.796 -10.156 2.719 1.00 40.86 H new ATOM 0 HG3 LYS A 24 22.799 -9.340 1.531 1.00 40.86 H new ATOM 0 HD2 LYS A 24 25.059 -7.636 2.285 1.00 37.00 H new ATOM 0 HD3 LYS A 24 25.638 -9.208 1.772 1.00 37.00 H new ATOM 0 HE2 LYS A 24 25.004 -8.863 -0.412 1.00 36.58 H new ATOM 0 HE3 LYS A 24 23.455 -8.187 0.047 1.00 36.58 H new ATOM 0 HZ1 LYS A 24 24.863 -6.518 -0.999 1.00 34.22 H new ATOM 0 HZ2 LYS A 24 24.567 -6.097 0.619 1.00 34.22 H new ATOM 0 HZ3 LYS A 24 26.069 -6.752 0.173 1.00 34.22 H new ATOM 389 N PRO A 25 21.736 -8.187 6.385 1.00 42.36 N ATOM 390 CA PRO A 25 21.257 -7.377 7.516 1.00 40.32 C ATOM 391 C PRO A 25 21.804 -5.949 7.431 1.00 36.91 C ATOM 392 O PRO A 25 22.958 -5.735 7.117 1.00 36.63 O ATOM 393 CB PRO A 25 21.808 -8.102 8.741 1.00 42.73 C ATOM 394 CG PRO A 25 23.010 -8.931 8.246 1.00 43.71 C ATOM 395 CD PRO A 25 22.837 -9.107 6.727 1.00 44.10 C ATOM 0 HA PRO A 25 20.172 -7.280 7.539 1.00 40.32 H new ATOM 0 HB2 PRO A 25 22.115 -7.391 9.508 1.00 42.73 H new ATOM 0 HB3 PRO A 25 21.049 -8.745 9.187 1.00 42.73 H new ATOM 0 HG2 PRO A 25 23.948 -8.424 8.472 1.00 43.71 H new ATOM 0 HG3 PRO A 25 23.043 -9.899 8.746 1.00 43.71 H new ATOM 0 HD2 PRO A 25 23.751 -8.854 6.189 1.00 44.10 H new ATOM 0 HD3 PRO A 25 22.591 -10.137 6.470 1.00 44.10 H new ATOM 403 N TYR A 26 20.986 -4.970 7.710 1.00 32.09 N ATOM 404 CA TYR A 26 21.467 -3.563 7.645 1.00 27.86 C ATOM 405 C TYR A 26 21.207 -2.861 8.979 1.00 26.29 C ATOM 406 O TYR A 26 20.188 -3.054 9.608 1.00 28.07 O ATOM 407 CB TYR A 26 20.746 -2.817 6.513 1.00 23.99 C ATOM 408 CG TYR A 26 19.245 -2.801 6.738 1.00 24.09 C ATOM 409 CD1 TYR A 26 18.697 -2.067 7.793 1.00 24.63 C ATOM 410 CD2 TYR A 26 18.405 -3.507 5.867 1.00 24.19 C ATOM 411 CE1 TYR A 26 17.309 -2.038 7.981 1.00 24.84 C ATOM 412 CE2 TYR A 26 17.018 -3.479 6.055 1.00 24.77 C ATOM 413 CZ TYR A 26 16.470 -2.745 7.112 1.00 24.25 C ATOM 414 OH TYR A 26 15.103 -2.717 7.296 1.00 29.25 O ATOM 0 H TYR A 26 20.009 -5.085 7.979 1.00 32.09 H new ATOM 0 HA TYR A 26 22.539 -3.562 7.446 1.00 27.86 H new ATOM 0 HB2 TYR A 26 21.119 -1.794 6.452 1.00 23.99 H new ATOM 0 HB3 TYR A 26 20.969 -3.295 5.559 1.00 23.99 H new ATOM 0 HD1 TYR A 26 19.344 -1.522 8.464 1.00 24.63 H new ATOM 0 HD2 TYR A 26 18.828 -4.073 5.050 1.00 24.19 H new ATOM 0 HE1 TYR A 26 16.886 -1.470 8.797 1.00 24.84 H new ATOM 0 HE2 TYR A 26 16.371 -4.024 5.384 1.00 24.77 H new ATOM 0 HH TYR A 26 14.669 -3.259 6.605 1.00 29.25 H new ATOM 424 N SER A 27 22.123 -2.039 9.412 1.00 24.52 N ATOM 425 CA SER A 27 21.926 -1.313 10.697 1.00 22.20 C ATOM 426 C SER A 27 21.309 0.051 10.387 1.00 20.52 C ATOM 427 O SER A 27 21.978 1.066 10.399 1.00 23.07 O ATOM 428 CB SER A 27 23.275 -1.120 11.392 1.00 25.30 C ATOM 429 OG SER A 27 24.291 -1.755 10.627 1.00 29.25 O ATOM 0 H SER A 27 23.000 -1.839 8.931 1.00 24.52 H new ATOM 0 HA SER A 27 21.270 -1.884 11.354 1.00 22.20 H new ATOM 0 HB2 SER A 27 23.494 -0.058 11.498 1.00 25.30 H new ATOM 0 HB3 SER A 27 23.243 -1.541 12.397 1.00 25.30 H new ATOM 0 HG SER A 27 25.157 -1.632 11.068 1.00 29.25 H new ATOM 435 N LEU A 28 20.041 0.078 10.084 1.00 18.57 N ATOM 436 CA LEU A 28 19.379 1.367 9.743 1.00 16.31 C ATOM 437 C LEU A 28 18.774 2.000 10.999 1.00 14.21 C ATOM 438 O LEU A 28 18.529 1.338 11.988 1.00 16.97 O ATOM 439 CB LEU A 28 18.278 1.100 8.715 1.00 16.48 C ATOM 440 CG LEU A 28 18.753 1.526 7.325 1.00 22.19 C ATOM 441 CD1 LEU A 28 19.061 3.025 7.323 1.00 24.00 C ATOM 442 CD2 LEU A 28 20.017 0.744 6.955 1.00 22.01 C ATOM 0 H LEU A 28 19.433 -0.741 10.058 1.00 18.57 H new ATOM 0 HA LEU A 28 20.115 2.056 9.328 1.00 16.31 H new ATOM 0 HB2 LEU A 28 18.019 0.041 8.712 1.00 16.48 H new ATOM 0 HB3 LEU A 28 17.375 1.648 8.985 1.00 16.48 H new ATOM 0 HG LEU A 28 17.970 1.318 6.596 1.00 22.19 H new ATOM 0 HD11 LEU A 28 19.399 3.326 6.331 1.00 24.00 H new ATOM 0 HD12 LEU A 28 18.161 3.582 7.584 1.00 24.00 H new ATOM 0 HD13 LEU A 28 19.843 3.237 8.053 1.00 24.00 H new ATOM 0 HD21 LEU A 28 20.356 1.047 5.964 1.00 22.01 H new ATOM 0 HD22 LEU A 28 20.800 0.951 7.685 1.00 22.01 H new ATOM 0 HD23 LEU A 28 19.797 -0.323 6.952 1.00 22.01 H new ATOM 454 N ASN A 29 18.530 3.284 10.961 1.00 11.64 N ATOM 455 CA ASN A 29 17.938 3.975 12.144 1.00 9.77 C ATOM 456 C ASN A 29 16.442 4.191 11.895 1.00 7.94 C ATOM 457 O ASN A 29 16.044 4.658 10.850 1.00 10.52 O ATOM 458 CB ASN A 29 18.626 5.335 12.378 1.00 14.73 C ATOM 459 CG ASN A 29 19.521 5.719 11.189 1.00 17.90 C ATOM 460 OD1 ASN A 29 20.242 4.897 10.659 1.00 23.31 O ATOM 461 ND2 ASN A 29 19.521 6.952 10.759 1.00 12.89 N ATOM 0 H ASN A 29 18.716 3.886 10.159 1.00 11.64 H new ATOM 0 HA ASN A 29 18.085 3.357 13.030 1.00 9.77 H new ATOM 0 HB2 ASN A 29 17.871 6.106 12.531 1.00 14.73 H new ATOM 0 HB3 ASN A 29 19.225 5.290 13.288 1.00 14.73 H new ATOM 0 HD21 ASN A 29 20.124 7.221 9.982 1.00 12.89 H new ATOM 0 HD22 ASN A 29 18.918 7.646 11.200 1.00 12.89 H new ATOM 468 N GLU A 30 15.609 3.845 12.841 1.00 8.58 N ATOM 469 CA GLU A 30 14.138 4.023 12.646 1.00 13.16 C ATOM 470 C GLU A 30 13.609 5.077 13.626 1.00 12.26 C ATOM 471 O GLU A 30 14.207 5.344 14.649 1.00 10.58 O ATOM 472 CB GLU A 30 13.429 2.692 12.903 1.00 14.93 C ATOM 473 CG GLU A 30 13.968 1.632 11.941 1.00 27.13 C ATOM 474 CD GLU A 30 13.483 0.250 12.380 1.00 33.28 C ATOM 475 OE1 GLU A 30 12.766 0.180 13.365 1.00 40.03 O ATOM 476 OE2 GLU A 30 13.836 -0.716 11.723 1.00 38.01 O ATOM 0 H GLU A 30 15.882 3.447 13.740 1.00 8.58 H new ATOM 0 HA GLU A 30 13.946 4.352 11.625 1.00 13.16 H new ATOM 0 HB2 GLU A 30 13.588 2.377 13.934 1.00 14.93 H new ATOM 0 HB3 GLU A 30 12.354 2.808 12.767 1.00 14.93 H new ATOM 0 HG2 GLU A 30 13.631 1.842 10.926 1.00 27.13 H new ATOM 0 HG3 GLU A 30 15.058 1.659 11.927 1.00 27.13 H new ATOM 483 N GLN A 31 12.486 5.674 13.322 1.00 10.34 N ATOM 484 CA GLN A 31 11.914 6.708 14.235 1.00 9.46 C ATOM 485 C GLN A 31 10.393 6.532 14.307 1.00 10.09 C ATOM 486 O GLN A 31 9.852 5.540 13.860 1.00 9.36 O ATOM 487 CB GLN A 31 12.244 8.105 13.689 1.00 7.25 C ATOM 488 CG GLN A 31 12.307 9.123 14.833 1.00 10.62 C ATOM 489 CD GLN A 31 11.486 10.358 14.452 1.00 8.77 C ATOM 490 OE1 GLN A 31 10.480 10.248 13.780 1.00 8.56 O ATOM 491 NE2 GLN A 31 11.875 11.537 14.853 1.00 12.39 N ATOM 0 H GLN A 31 11.940 5.490 12.480 1.00 10.34 H new ATOM 0 HA GLN A 31 12.341 6.597 15.232 1.00 9.46 H new ATOM 0 HB2 GLN A 31 13.198 8.081 13.162 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.487 8.408 12.965 1.00 7.25 H new ATOM 0 HG2 GLN A 31 11.918 8.682 15.751 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.342 9.405 15.029 1.00 10.62 H new ATOM 0 HE21 GLN A 31 12.719 11.631 15.417 1.00 12.39 H new ATOM 0 HE22 GLN A 31 11.335 12.365 14.602 1.00 12.39 H new ATOM 500 N LEU A 32 9.700 7.489 14.861 1.00 6.80 N ATOM 501 CA LEU A 32 8.215 7.381 14.957 1.00 10.34 C ATOM 502 C LEU A 32 7.585 8.713 14.538 1.00 9.02 C ATOM 503 O LEU A 32 8.274 9.671 14.254 1.00 11.15 O ATOM 504 CB LEU A 32 7.818 7.054 16.399 1.00 10.20 C ATOM 505 CG LEU A 32 8.030 5.562 16.666 1.00 16.38 C ATOM 506 CD1 LEU A 32 9.291 5.369 17.510 1.00 17.42 C ATOM 507 CD2 LEU A 32 6.819 5.004 17.420 1.00 15.89 C ATOM 0 H LEU A 32 10.098 8.343 15.252 1.00 6.80 H new ATOM 0 HA LEU A 32 7.861 6.587 14.299 1.00 10.34 H new ATOM 0 HB2 LEU A 32 8.414 7.646 17.094 1.00 10.20 H new ATOM 0 HB3 LEU A 32 6.774 7.319 16.568 1.00 10.20 H new ATOM 0 HG LEU A 32 8.144 5.034 15.719 1.00 16.38 H new ATOM 0 HD11 LEU A 32 9.442 4.306 17.700 1.00 17.42 H new ATOM 0 HD12 LEU A 32 10.152 5.768 16.974 1.00 17.42 H new ATOM 0 HD13 LEU A 32 9.178 5.895 18.458 1.00 17.42 H new ATOM 0 HD21 LEU A 32 6.968 3.941 17.611 1.00 15.89 H new ATOM 0 HD22 LEU A 32 6.706 5.531 18.367 1.00 15.89 H new ATOM 0 HD23 LEU A 32 5.921 5.142 16.818 1.00 15.89 H new ATOM 519 N CYS A 33 6.281 8.783 14.492 1.00 9.68 N ATOM 520 CA CYS A 33 5.618 10.052 14.088 1.00 8.10 C ATOM 521 C CYS A 33 4.121 9.923 14.350 1.00 6.34 C ATOM 522 O CYS A 33 3.616 8.843 14.578 1.00 8.02 O ATOM 523 CB CYS A 33 5.843 10.335 12.594 1.00 8.88 C ATOM 524 SG CYS A 33 6.524 8.882 11.750 1.00 13.84 S ATOM 0 H CYS A 33 5.648 8.015 14.717 1.00 9.68 H new ATOM 0 HA CYS A 33 6.043 10.874 14.665 1.00 8.10 H new ATOM 0 HB2 CYS A 33 4.900 10.621 12.129 1.00 8.88 H new ATOM 0 HB3 CYS A 33 6.524 11.179 12.479 1.00 8.88 H new ATOM 0 HG CYS A 33 5.825 8.633 10.682 1.00 13.84 H new ATOM 530 N TYR A 34 3.403 11.008 14.318 1.00 7.35 N ATOM 531 CA TYR A 34 1.939 10.929 14.567 1.00 7.08 C ATOM 532 C TYR A 34 1.188 11.450 13.346 1.00 7.71 C ATOM 533 O TYR A 34 1.140 12.639 13.103 1.00 7.80 O ATOM 534 CB TYR A 34 1.576 11.796 15.767 1.00 8.67 C ATOM 535 CG TYR A 34 1.761 11.026 17.053 1.00 9.11 C ATOM 536 CD1 TYR A 34 0.725 10.218 17.542 1.00 12.44 C ATOM 537 CD2 TYR A 34 2.956 11.140 17.767 1.00 13.61 C ATOM 538 CE1 TYR A 34 0.885 9.532 18.746 1.00 16.38 C ATOM 539 CE2 TYR A 34 3.117 10.449 18.970 1.00 17.22 C ATOM 540 CZ TYR A 34 2.079 9.648 19.459 1.00 16.83 C ATOM 541 OH TYR A 34 2.237 8.970 20.651 1.00 21.14 O ATOM 0 H TYR A 34 3.765 11.943 14.131 1.00 7.35 H new ATOM 0 HA TYR A 34 1.666 9.892 14.762 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.200 12.690 15.779 1.00 8.67 H new ATOM 0 HB3 TYR A 34 0.542 12.130 15.682 1.00 8.67 H new ATOM 0 HD1 TYR A 34 -0.197 10.127 16.987 1.00 12.44 H new ATOM 0 HD2 TYR A 34 3.754 11.762 17.389 1.00 13.61 H new ATOM 0 HE1 TYR A 34 0.086 8.912 19.126 1.00 16.38 H new ATOM 0 HE2 TYR A 34 4.041 10.533 19.522 1.00 17.22 H new ATOM 0 HH TYR A 34 3.126 9.158 21.019 1.00 21.14 H new ATOM 551 N VAL A 35 0.593 10.582 12.580 1.00 9.44 N ATOM 552 CA VAL A 35 -0.158 11.056 11.385 1.00 10.66 C ATOM 553 C VAL A 35 -1.648 11.123 11.711 1.00 10.57 C ATOM 554 O VAL A 35 -2.297 10.114 11.898 1.00 8.31 O ATOM 555 CB VAL A 35 0.064 10.099 10.213 1.00 10.22 C ATOM 556 CG1 VAL A 35 -0.818 10.528 9.038 1.00 7.97 C ATOM 557 CG2 VAL A 35 1.535 10.145 9.792 1.00 9.86 C ATOM 0 H VAL A 35 0.593 9.573 12.727 1.00 9.44 H new ATOM 0 HA VAL A 35 0.201 12.048 11.110 1.00 10.66 H new ATOM 0 HB VAL A 35 -0.196 9.084 10.513 1.00 10.22 H new ATOM 0 HG11 VAL A 35 -0.663 9.849 8.200 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -1.865 10.500 9.340 1.00 7.97 H new ATOM 0 HG13 VAL A 35 -0.555 11.542 8.737 1.00 7.97 H new ATOM 0 HG21 VAL A 35 1.696 9.464 8.957 1.00 9.86 H new ATOM 0 HG22 VAL A 35 1.795 11.159 9.488 1.00 9.86 H new ATOM 0 HG23 VAL A 35 2.163 9.845 10.631 1.00 9.86 H new ATOM 567 N ASP A 36 -2.200 12.305 11.780 1.00 8.58 N ATOM 568 CA ASP A 36 -3.641 12.422 12.083 1.00 11.48 C ATOM 569 C ASP A 36 -4.413 11.533 11.113 1.00 12.38 C ATOM 570 O ASP A 36 -5.463 11.014 11.428 1.00 11.89 O ATOM 571 CB ASP A 36 -4.086 13.876 11.917 1.00 16.17 C ATOM 572 CG ASP A 36 -3.454 14.463 10.653 1.00 17.97 C ATOM 573 OD1 ASP A 36 -3.555 13.830 9.615 1.00 15.67 O ATOM 574 OD2 ASP A 36 -2.878 15.535 10.746 1.00 25.89 O ATOM 0 H ASP A 36 -1.710 13.188 11.639 1.00 8.58 H new ATOM 0 HA ASP A 36 -3.834 12.110 13.109 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -5.173 13.929 11.851 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -3.790 14.460 12.789 1.00 16.17 H new ATOM 579 N LEU A 37 -3.892 11.354 9.929 1.00 13.17 N ATOM 580 CA LEU A 37 -4.588 10.502 8.929 1.00 18.47 C ATOM 581 C LEU A 37 -6.070 10.860 8.914 1.00 21.14 C ATOM 582 O LEU A 37 -6.925 10.010 8.763 1.00 24.24 O ATOM 583 CB LEU A 37 -4.424 9.030 9.301 1.00 15.81 C ATOM 584 CG LEU A 37 -4.923 8.163 8.146 1.00 20.59 C ATOM 585 CD1 LEU A 37 -3.814 7.202 7.716 1.00 14.72 C ATOM 586 CD2 LEU A 37 -6.147 7.365 8.602 1.00 20.01 C ATOM 0 H LEU A 37 -3.013 11.763 9.613 1.00 13.17 H new ATOM 0 HA LEU A 37 -4.157 10.672 7.943 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -3.377 8.810 9.511 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -4.985 8.807 10.208 1.00 15.81 H new ATOM 0 HG LEU A 37 -5.198 8.798 7.304 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -4.168 6.583 6.892 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -2.943 7.772 7.393 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -3.539 6.565 8.556 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -6.505 6.746 7.779 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -5.873 6.728 9.443 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -6.936 8.052 8.908 1.00 20.01 H new ATOM 598 N GLY A 38 -6.380 12.114 9.073 1.00 20.70 N ATOM 599 CA GLY A 38 -7.806 12.530 9.072 1.00 23.91 C ATOM 600 C GLY A 38 -8.553 11.787 10.187 1.00 26.50 C ATOM 601 O GLY A 38 -9.763 11.680 10.173 1.00 31.02 O ATOM 0 H GLY A 38 -5.707 12.869 9.204 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -7.882 13.607 9.223 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -8.260 12.310 8.106 1.00 23.91 H new ATOM 605 N ASN A 39 -7.835 11.261 11.146 1.00 27.64 N ATOM 606 CA ASN A 39 -8.488 10.510 12.256 1.00 30.27 C ATOM 607 C ASN A 39 -8.787 11.445 13.433 1.00 26.79 C ATOM 608 O ASN A 39 -8.872 11.017 14.567 1.00 26.87 O ATOM 609 CB ASN A 39 -7.555 9.393 12.736 1.00 35.62 C ATOM 610 CG ASN A 39 -7.357 8.361 11.623 1.00 41.31 C ATOM 611 OD1 ASN A 39 -6.265 7.641 11.606 1.00 43.23 O flip ATOM 612 ND2 ASN A 39 -8.201 8.207 10.764 1.00 39.63 N flip ATOM 0 H ASN A 39 -6.819 11.321 11.207 1.00 27.64 H new ATOM 0 HA ASN A 39 -9.423 10.088 11.887 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -6.593 9.813 13.029 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -7.975 8.911 13.619 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -9.052 8.769 10.779 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -8.059 7.515 10.028 1.00 39.63 H new ATOM 619 N GLU A 40 -8.948 12.713 13.179 1.00 25.15 N ATOM 620 CA GLU A 40 -9.243 13.665 14.293 1.00 23.81 C ATOM 621 C GLU A 40 -8.327 13.366 15.488 1.00 21.12 C ATOM 622 O GLU A 40 -8.653 13.660 16.620 1.00 19.86 O ATOM 623 CB GLU A 40 -10.703 13.508 14.723 1.00 27.22 C ATOM 624 CG GLU A 40 -11.602 14.332 13.800 1.00 34.87 C ATOM 625 CD GLU A 40 -13.063 14.156 14.219 1.00 38.97 C ATOM 626 OE1 GLU A 40 -13.297 13.905 15.390 1.00 42.34 O ATOM 627 OE2 GLU A 40 -13.923 14.274 13.362 1.00 39.54 O ATOM 0 H GLU A 40 -8.889 13.134 12.252 1.00 25.15 H new ATOM 0 HA GLU A 40 -9.068 14.685 13.950 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -10.992 12.458 14.686 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -10.826 13.837 15.755 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -11.323 15.385 13.848 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -11.468 14.014 12.766 1.00 34.87 H new ATOM 634 N HIS A 41 -7.185 12.789 15.238 1.00 2.31 N ATOM 635 CA HIS A 41 -6.233 12.466 16.343 1.00 1.95 C ATOM 636 C HIS A 41 -4.934 11.965 15.714 1.00 1.21 C ATOM 637 O HIS A 41 -4.960 11.405 14.639 1.00 0.47 O ATOM 638 CB HIS A 41 -6.826 11.369 17.232 1.00 2.71 C ATOM 639 CG HIS A 41 -7.667 11.989 18.312 1.00 1.31 C ATOM 640 ND1 HIS A 41 -9.052 11.947 18.288 1.00 0.83 N ATOM 641 CD2 HIS A 41 -7.332 12.667 19.455 1.00 2.60 C ATOM 642 CE1 HIS A 41 -9.495 12.583 19.388 1.00 1.03 C ATOM 643 NE2 HIS A 41 -8.487 13.042 20.134 1.00 2.86 N ATOM 0 H HIS A 41 -6.865 12.524 14.306 1.00 2.31 H new ATOM 0 HA HIS A 41 -6.047 13.350 16.953 1.00 1.95 H new ATOM 0 HB2 HIS A 41 -7.431 10.689 16.632 1.00 2.71 H new ATOM 0 HB3 HIS A 41 -6.026 10.776 17.676 1.00 2.71 H new ATOM 0 HD2 HIS A 41 -6.324 12.878 19.780 1.00 2.60 H new ATOM 0 HE1 HIS A 41 -10.539 12.707 19.637 1.00 1.03 H new ATOM 0 HE2 HIS A 41 -8.550 13.557 21.012 1.00 2.86 H new ATOM 651 N PRO A 42 -3.834 12.183 16.386 1.00 15.11 N ATOM 652 CA PRO A 42 -2.520 11.765 15.877 1.00 16.08 C ATOM 653 C PRO A 42 -2.335 10.263 16.040 1.00 17.92 C ATOM 654 O PRO A 42 -2.636 9.697 17.072 1.00 17.13 O ATOM 655 CB PRO A 42 -1.529 12.515 16.760 1.00 16.41 C ATOM 656 CG PRO A 42 -2.280 12.850 18.062 1.00 13.79 C ATOM 657 CD PRO A 42 -3.786 12.846 17.707 1.00 16.28 C ATOM 0 HA PRO A 42 -2.394 11.981 14.816 1.00 16.08 H new ATOM 0 HB2 PRO A 42 -0.650 11.904 16.964 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -1.179 13.423 16.268 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -2.061 12.116 18.837 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -1.974 13.822 18.448 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -4.371 12.302 18.449 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -4.189 13.858 17.662 1.00 16.28 H new ATOM 665 N VAL A 43 -1.825 9.618 15.038 1.00 16.29 N ATOM 666 CA VAL A 43 -1.601 8.158 15.142 1.00 14.28 C ATOM 667 C VAL A 43 -0.100 7.897 15.151 1.00 9.00 C ATOM 668 O VAL A 43 0.595 8.167 14.191 1.00 7.99 O ATOM 669 CB VAL A 43 -2.243 7.447 13.954 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.702 7.890 13.820 1.00 18.07 C ATOM 671 CG2 VAL A 43 -1.482 7.797 12.674 1.00 20.57 C ATOM 0 H VAL A 43 -1.553 10.039 14.150 1.00 16.29 H new ATOM 0 HA VAL A 43 -2.051 7.778 16.059 1.00 14.28 H new ATOM 0 HB VAL A 43 -2.205 6.369 14.114 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -4.160 7.382 12.971 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -4.244 7.636 14.731 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.742 8.968 13.662 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -1.942 7.288 11.827 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -1.517 8.874 12.513 1.00 20.57 H new ATOM 0 HG23 VAL A 43 -0.444 7.478 12.769 1.00 20.57 H new ATOM 681 N LEU A 44 0.409 7.383 16.231 1.00 10.19 N ATOM 682 CA LEU A 44 1.866 7.118 16.301 1.00 11.55 C ATOM 683 C LEU A 44 2.225 6.018 15.306 1.00 10.61 C ATOM 684 O LEU A 44 1.914 4.859 15.499 1.00 13.49 O ATOM 685 CB LEU A 44 2.237 6.688 17.715 1.00 10.60 C ATOM 686 CG LEU A 44 3.714 6.307 17.752 1.00 13.48 C ATOM 687 CD1 LEU A 44 4.555 7.491 17.268 1.00 15.65 C ATOM 688 CD2 LEU A 44 4.110 5.948 19.185 1.00 20.21 C ATOM 0 H LEU A 44 -0.121 7.136 17.067 1.00 10.19 H new ATOM 0 HA LEU A 44 2.419 8.023 16.050 1.00 11.55 H new ATOM 0 HB2 LEU A 44 2.040 7.498 18.418 1.00 10.60 H new ATOM 0 HB3 LEU A 44 1.623 5.842 18.024 1.00 10.60 H new ATOM 0 HG LEU A 44 3.888 5.449 17.103 1.00 13.48 H new ATOM 0 HD11 LEU A 44 5.611 7.222 17.293 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.270 7.747 16.247 1.00 15.65 H new ATOM 0 HD13 LEU A 44 4.384 8.349 17.918 1.00 15.65 H new ATOM 0 HD21 LEU A 44 5.165 5.675 19.214 1.00 20.21 H new ATOM 0 HD22 LEU A 44 3.939 6.806 19.835 1.00 20.21 H new ATOM 0 HD23 LEU A 44 3.508 5.106 19.529 1.00 20.21 H new ATOM 700 N VAL A 45 2.874 6.379 14.238 1.00 10.81 N ATOM 701 CA VAL A 45 3.255 5.370 13.214 1.00 9.29 C ATOM 702 C VAL A 45 4.775 5.219 13.191 1.00 9.95 C ATOM 703 O VAL A 45 5.498 6.008 13.765 1.00 9.36 O ATOM 704 CB VAL A 45 2.745 5.827 11.848 1.00 4.64 C ATOM 705 CG1 VAL A 45 3.560 5.174 10.723 1.00 7.95 C ATOM 706 CG2 VAL A 45 1.275 5.427 11.705 1.00 10.20 C ATOM 0 H VAL A 45 3.159 7.336 14.028 1.00 10.81 H new ATOM 0 HA VAL A 45 2.810 4.405 13.456 1.00 9.29 H new ATOM 0 HB VAL A 45 2.850 6.909 11.774 1.00 4.64 H new ATOM 0 HG11 VAL A 45 3.183 5.511 9.758 1.00 7.95 H new ATOM 0 HG12 VAL A 45 4.608 5.457 10.822 1.00 7.95 H new ATOM 0 HG13 VAL A 45 3.469 4.090 10.790 1.00 7.95 H new ATOM 0 HG21 VAL A 45 0.903 5.750 10.733 1.00 10.20 H new ATOM 0 HG22 VAL A 45 1.183 4.344 11.788 1.00 10.20 H new ATOM 0 HG23 VAL A 45 0.690 5.902 12.493 1.00 10.20 H new ATOM 716 N LYS A 46 5.265 4.206 12.534 1.00 10.76 N ATOM 717 CA LYS A 46 6.735 4.006 12.480 1.00 12.81 C ATOM 718 C LYS A 46 7.315 4.716 11.255 1.00 13.35 C ATOM 719 O LYS A 46 6.606 5.076 10.337 1.00 12.90 O ATOM 720 CB LYS A 46 7.047 2.510 12.404 1.00 17.04 C ATOM 721 CG LYS A 46 8.325 2.214 13.190 1.00 26.60 C ATOM 722 CD LYS A 46 8.030 2.279 14.690 1.00 33.77 C ATOM 723 CE LYS A 46 7.042 1.173 15.066 1.00 34.48 C ATOM 724 NZ LYS A 46 7.383 -0.072 14.321 1.00 36.74 N ATOM 0 H LYS A 46 4.711 3.511 12.034 1.00 10.76 H new ATOM 0 HA LYS A 46 7.185 4.425 13.380 1.00 12.81 H new ATOM 0 HB2 LYS A 46 6.216 1.933 12.810 1.00 17.04 H new ATOM 0 HB3 LYS A 46 7.168 2.205 11.364 1.00 17.04 H new ATOM 0 HG2 LYS A 46 8.706 1.227 12.926 1.00 26.60 H new ATOM 0 HG3 LYS A 46 9.100 2.935 12.930 1.00 26.60 H new ATOM 0 HD2 LYS A 46 8.953 2.165 15.258 1.00 33.77 H new ATOM 0 HD3 LYS A 46 7.616 3.254 14.948 1.00 33.77 H new ATOM 0 HE2 LYS A 46 7.078 0.988 16.140 1.00 34.48 H new ATOM 0 HE3 LYS A 46 6.024 1.484 14.830 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 6.917 -0.885 14.772 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 7.057 0.012 13.337 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 8.413 -0.213 14.334 1.00 36.74 H new ATOM 738 N ILE A 47 8.604 4.921 11.236 1.00 13.96 N ATOM 739 CA ILE A 47 9.237 5.608 10.079 1.00 16.93 C ATOM 740 C ILE A 47 10.681 5.120 9.929 1.00 16.52 C ATOM 741 O ILE A 47 11.194 4.402 10.764 1.00 17.67 O ATOM 742 CB ILE A 47 9.209 7.128 10.313 1.00 19.74 C ATOM 743 CG1 ILE A 47 9.209 7.858 8.972 1.00 19.39 C ATOM 744 CG2 ILE A 47 10.434 7.569 11.116 1.00 18.08 C ATOM 745 CD1 ILE A 47 7.938 8.692 8.851 1.00 18.26 C ATOM 0 H ILE A 47 9.247 4.640 11.976 1.00 13.96 H new ATOM 0 HA ILE A 47 8.689 5.380 9.165 1.00 16.93 H new ATOM 0 HB ILE A 47 8.305 7.373 10.871 1.00 19.74 H new ATOM 0 HG12 ILE A 47 10.087 8.499 8.894 1.00 19.39 H new ATOM 0 HG13 ILE A 47 9.265 7.140 8.154 1.00 19.39 H new ATOM 0 HG21 ILE A 47 10.398 8.647 11.272 1.00 18.08 H new ATOM 0 HG22 ILE A 47 10.438 7.062 12.081 1.00 18.08 H new ATOM 0 HG23 ILE A 47 11.340 7.312 10.568 1.00 18.08 H new ATOM 0 HD11 ILE A 47 7.935 9.214 7.894 1.00 18.26 H new ATOM 0 HD12 ILE A 47 7.067 8.039 8.910 1.00 18.26 H new ATOM 0 HD13 ILE A 47 7.902 9.420 9.662 1.00 18.26 H new ATOM 757 N THR A 48 11.342 5.511 8.877 1.00 16.86 N ATOM 758 CA THR A 48 12.752 5.077 8.683 1.00 16.59 C ATOM 759 C THR A 48 13.680 6.279 8.869 1.00 19.04 C ATOM 760 O THR A 48 13.294 7.413 8.667 1.00 22.56 O ATOM 761 CB THR A 48 12.920 4.507 7.272 1.00 16.30 C ATOM 762 OG1 THR A 48 11.650 4.120 6.765 1.00 17.90 O ATOM 763 CG2 THR A 48 13.844 3.291 7.319 1.00 16.02 C ATOM 0 H THR A 48 10.967 6.112 8.143 1.00 16.86 H new ATOM 0 HA THR A 48 13.004 4.308 9.413 1.00 16.59 H new ATOM 0 HB THR A 48 13.355 5.266 6.622 1.00 16.30 H new ATOM 0 HG1 THR A 48 11.603 3.143 6.711 1.00 17.90 H new ATOM 0 HG21 THR A 48 13.963 2.886 6.314 1.00 16.02 H new ATOM 0 HG22 THR A 48 14.818 3.589 7.708 1.00 16.02 H new ATOM 0 HG23 THR A 48 13.411 2.530 7.968 1.00 16.02 H new ATOM 771 N LEU A 49 14.900 6.036 9.256 1.00 18.35 N ATOM 772 CA LEU A 49 15.859 7.156 9.463 1.00 18.82 C ATOM 773 C LEU A 49 17.137 6.873 8.669 1.00 20.06 C ATOM 774 O LEU A 49 17.971 6.087 9.072 1.00 18.35 O ATOM 775 CB LEU A 49 16.192 7.274 10.957 1.00 18.79 C ATOM 776 CG LEU A 49 15.943 8.701 11.437 1.00 18.24 C ATOM 777 CD1 LEU A 49 17.025 9.628 10.875 1.00 20.41 C ATOM 778 CD2 LEU A 49 14.566 9.172 10.961 1.00 14.50 C ATOM 0 H LEU A 49 15.276 5.106 9.439 1.00 18.35 H new ATOM 0 HA LEU A 49 15.416 8.091 9.120 1.00 18.82 H new ATOM 0 HB2 LEU A 49 15.581 6.577 11.530 1.00 18.79 H new ATOM 0 HB3 LEU A 49 17.233 7.000 11.129 1.00 18.79 H new ATOM 0 HG LEU A 49 15.976 8.725 12.526 1.00 18.24 H new ATOM 0 HD11 LEU A 49 16.846 10.647 11.219 1.00 20.41 H new ATOM 0 HD12 LEU A 49 18.004 9.296 11.220 1.00 20.41 H new ATOM 0 HD13 LEU A 49 16.996 9.602 9.786 1.00 20.41 H new ATOM 0 HD21 LEU A 49 14.391 10.191 11.305 1.00 14.50 H new ATOM 0 HD22 LEU A 49 14.529 9.145 9.872 1.00 14.50 H new ATOM 0 HD23 LEU A 49 13.797 8.515 11.366 1.00 14.50 H new ATOM 790 N ASP A 50 17.290 7.504 7.536 1.00 22.62 N ATOM 791 CA ASP A 50 18.505 7.272 6.704 1.00 27.04 C ATOM 792 C ASP A 50 19.753 7.267 7.590 1.00 27.73 C ATOM 793 O ASP A 50 19.847 8.002 8.553 1.00 26.65 O ATOM 794 CB ASP A 50 18.627 8.386 5.662 1.00 29.11 C ATOM 795 CG ASP A 50 19.090 7.793 4.331 1.00 30.37 C ATOM 796 OD1 ASP A 50 18.957 6.592 4.161 1.00 30.76 O ATOM 797 OD2 ASP A 50 19.570 8.550 3.503 1.00 33.99 O ATOM 0 H ASP A 50 16.623 8.172 7.150 1.00 22.62 H new ATOM 0 HA ASP A 50 18.417 6.307 6.204 1.00 27.04 H new ATOM 0 HB2 ASP A 50 17.667 8.886 5.535 1.00 29.11 H new ATOM 0 HB3 ASP A 50 19.336 9.140 6.002 1.00 29.11 H new ATOM 802 N GLU A 51 20.716 6.447 7.265 1.00 31.16 N ATOM 803 CA GLU A 51 21.961 6.399 8.081 1.00 34.22 C ATOM 804 C GLU A 51 22.677 7.747 7.981 1.00 34.98 C ATOM 805 O GLU A 51 23.324 8.047 6.998 1.00 34.19 O ATOM 806 CB GLU A 51 22.878 5.293 7.552 1.00 38.24 C ATOM 807 CG GLU A 51 23.707 4.723 8.704 1.00 46.84 C ATOM 808 CD GLU A 51 24.378 3.422 8.257 1.00 51.38 C ATOM 809 OE1 GLU A 51 25.341 3.501 7.513 1.00 53.83 O ATOM 810 OE2 GLU A 51 23.916 2.370 8.667 1.00 54.92 O ATOM 0 H GLU A 51 20.693 5.809 6.470 1.00 31.16 H new ATOM 0 HA GLU A 51 21.710 6.192 9.121 1.00 34.22 H new ATOM 0 HB2 GLU A 51 22.285 4.503 7.091 1.00 38.24 H new ATOM 0 HB3 GLU A 51 23.535 5.690 6.778 1.00 38.24 H new ATOM 0 HG2 GLU A 51 24.462 5.445 9.015 1.00 46.84 H new ATOM 0 HG3 GLU A 51 23.069 4.537 9.568 1.00 46.84 H new ATOM 817 N GLY A 52 22.557 8.566 8.989 1.00 34.53 N ATOM 818 CA GLY A 52 23.220 9.899 8.950 1.00 34.93 C ATOM 819 C GLY A 52 22.158 10.988 9.098 1.00 36.10 C ATOM 820 O GLY A 52 22.430 12.078 9.562 1.00 35.97 O ATOM 0 H GLY A 52 22.028 8.369 9.839 1.00 34.53 H new ATOM 0 HA2 GLY A 52 23.954 9.978 9.752 1.00 34.93 H new ATOM 0 HA3 GLY A 52 23.759 10.024 8.011 1.00 34.93 H new ATOM 824 N GLN A 53 20.946 10.698 8.711 1.00 36.52 N ATOM 825 CA GLN A 53 19.860 11.709 8.832 1.00 35.40 C ATOM 826 C GLN A 53 19.414 11.794 10.295 1.00 31.02 C ATOM 827 O GLN A 53 19.389 10.797 10.989 1.00 29.05 O ATOM 828 CB GLN A 53 18.673 11.290 7.962 1.00 41.20 C ATOM 829 CG GLN A 53 18.688 12.084 6.655 1.00 47.61 C ATOM 830 CD GLN A 53 17.698 11.462 5.668 1.00 53.32 C ATOM 831 OE1 GLN A 53 16.650 10.986 6.059 1.00 53.91 O ATOM 832 NE2 GLN A 53 17.987 11.445 4.396 1.00 54.76 N ATOM 0 H GLN A 53 20.661 9.802 8.315 1.00 36.52 H new ATOM 0 HA GLN A 53 20.225 12.681 8.501 1.00 35.40 H new ATOM 0 HB2 GLN A 53 18.723 10.222 7.751 1.00 41.20 H new ATOM 0 HB3 GLN A 53 17.739 11.466 8.495 1.00 41.20 H new ATOM 0 HG2 GLN A 53 18.423 13.124 6.846 1.00 47.61 H new ATOM 0 HG3 GLN A 53 19.691 12.084 6.229 1.00 47.61 H new ATOM 0 HE21 GLN A 53 18.866 11.844 4.067 1.00 54.76 H new ATOM 0 HE22 GLN A 53 17.334 11.032 3.730 1.00 54.76 H new ATOM 841 N PRO A 54 19.076 12.983 10.720 1.00 27.43 N ATOM 842 CA PRO A 54 18.626 13.232 12.099 1.00 23.44 C ATOM 843 C PRO A 54 17.169 12.796 12.275 1.00 20.14 C ATOM 844 O PRO A 54 16.310 13.149 11.492 1.00 21.64 O ATOM 845 CB PRO A 54 18.769 14.746 12.257 1.00 24.39 C ATOM 846 CG PRO A 54 18.745 15.335 10.831 1.00 27.18 C ATOM 847 CD PRO A 54 19.108 14.189 9.870 1.00 28.37 C ATOM 0 HA PRO A 54 19.198 12.677 12.843 1.00 23.44 H new ATOM 0 HB2 PRO A 54 17.956 15.152 12.859 1.00 24.39 H new ATOM 0 HB3 PRO A 54 19.700 14.998 12.766 1.00 24.39 H new ATOM 0 HG2 PRO A 54 17.760 15.739 10.596 1.00 27.18 H new ATOM 0 HG3 PRO A 54 19.456 16.156 10.740 1.00 27.18 H new ATOM 0 HD2 PRO A 54 18.395 14.117 9.048 1.00 28.37 H new ATOM 0 HD3 PRO A 54 20.092 14.338 9.426 1.00 28.37 H new ATOM 855 N ALA A 55 16.889 12.028 13.296 1.00 17.21 N ATOM 856 CA ALA A 55 15.494 11.563 13.531 1.00 15.58 C ATOM 857 C ALA A 55 14.506 12.691 13.227 1.00 16.41 C ATOM 858 O ALA A 55 14.759 13.844 13.516 1.00 13.65 O ATOM 859 CB ALA A 55 15.352 11.143 14.993 1.00 13.98 C ATOM 0 H ALA A 55 17.572 11.702 13.980 1.00 17.21 H new ATOM 0 HA ALA A 55 15.278 10.719 12.876 1.00 15.58 H new ATOM 0 HB1 ALA A 55 14.333 10.801 15.176 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.051 10.335 15.209 1.00 13.98 H new ATOM 0 HB3 ALA A 55 15.570 11.994 15.639 1.00 13.98 H new ATOM 865 N TYR A 56 13.383 12.366 12.644 1.00 15.93 N ATOM 866 CA TYR A 56 12.378 13.418 12.322 1.00 14.61 C ATOM 867 C TYR A 56 12.255 14.372 13.513 1.00 15.51 C ATOM 868 O TYR A 56 11.561 14.100 14.471 1.00 17.19 O ATOM 869 CB TYR A 56 11.021 12.760 12.031 1.00 12.92 C ATOM 870 CG TYR A 56 11.131 11.915 10.776 1.00 11.75 C ATOM 871 CD1 TYR A 56 11.650 10.617 10.852 1.00 12.42 C ATOM 872 CD2 TYR A 56 10.734 12.440 9.541 1.00 7.14 C ATOM 873 CE1 TYR A 56 11.769 9.844 9.694 1.00 11.47 C ATOM 874 CE2 TYR A 56 10.855 11.666 8.382 1.00 7.90 C ATOM 875 CZ TYR A 56 11.372 10.368 8.458 1.00 10.29 C ATOM 876 OH TYR A 56 11.490 9.605 7.315 1.00 12.03 O ATOM 0 H TYR A 56 13.119 11.418 12.377 1.00 15.93 H new ATOM 0 HA TYR A 56 12.695 13.977 11.442 1.00 14.61 H new ATOM 0 HB2 TYR A 56 10.716 12.141 12.874 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.254 13.524 11.903 1.00 12.92 H new ATOM 0 HD1 TYR A 56 11.958 10.213 11.805 1.00 12.42 H new ATOM 0 HD2 TYR A 56 10.335 13.442 9.483 1.00 7.14 H new ATOM 0 HE1 TYR A 56 12.167 8.842 9.753 1.00 11.47 H new ATOM 0 HE2 TYR A 56 10.549 12.070 7.428 1.00 7.90 H new ATOM 0 HH TYR A 56 12.018 8.803 7.510 1.00 12.03 H new ATOM 886 N ALA A 57 12.937 15.484 13.464 1.00 13.38 N ATOM 887 CA ALA A 57 12.873 16.455 14.594 1.00 14.95 C ATOM 888 C ALA A 57 11.425 16.595 15.073 1.00 15.46 C ATOM 889 O ALA A 57 10.506 16.174 14.399 1.00 17.82 O ATOM 890 CB ALA A 57 13.388 17.817 14.126 1.00 14.98 C ATOM 0 H ALA A 57 13.537 15.763 12.688 1.00 13.38 H new ATOM 0 HA ALA A 57 13.492 16.093 15.415 1.00 14.95 H new ATOM 0 HB1 ALA A 57 13.341 18.527 14.952 1.00 14.98 H new ATOM 0 HB2 ALA A 57 14.420 17.720 13.789 1.00 14.98 H new ATOM 0 HB3 ALA A 57 12.770 18.176 13.303 1.00 14.98 H new ATOM 896 N PRO A 58 11.269 17.191 16.227 1.00 15.20 N ATOM 897 CA PRO A 58 9.945 17.411 16.833 1.00 16.55 C ATOM 898 C PRO A 58 9.241 18.582 16.145 1.00 16.75 C ATOM 899 O PRO A 58 9.652 19.720 16.259 1.00 17.28 O ATOM 900 CB PRO A 58 10.268 17.743 18.293 1.00 15.65 C ATOM 901 CG PRO A 58 11.733 18.242 18.313 1.00 14.16 C ATOM 902 CD PRO A 58 12.397 17.704 17.033 1.00 13.96 C ATOM 0 HA PRO A 58 9.277 16.555 16.738 1.00 16.55 H new ATOM 0 HB2 PRO A 58 9.592 18.507 18.676 1.00 15.65 H new ATOM 0 HB3 PRO A 58 10.148 16.864 18.927 1.00 15.65 H new ATOM 0 HG2 PRO A 58 11.771 19.331 18.341 1.00 14.16 H new ATOM 0 HG3 PRO A 58 12.253 17.882 19.200 1.00 14.16 H new ATOM 0 HD2 PRO A 58 12.939 18.489 16.505 1.00 13.96 H new ATOM 0 HD3 PRO A 58 13.116 16.916 17.258 1.00 13.96 H new ATOM 910 N GLY A 59 8.186 18.313 15.426 1.00 17.22 N ATOM 911 CA GLY A 59 7.468 19.414 14.728 1.00 15.08 C ATOM 912 C GLY A 59 6.330 18.838 13.886 1.00 14.96 C ATOM 913 O GLY A 59 6.070 17.653 13.907 1.00 13.79 O ATOM 0 H GLY A 59 7.792 17.382 15.293 1.00 17.22 H new ATOM 0 HA2 GLY A 59 7.072 20.121 15.457 1.00 15.08 H new ATOM 0 HA3 GLY A 59 8.160 19.966 14.092 1.00 15.08 H new ATOM 917 N LEU A 60 5.651 19.669 13.139 1.00 15.83 N ATOM 918 CA LEU A 60 4.541 19.169 12.284 1.00 14.53 C ATOM 919 C LEU A 60 5.138 18.474 11.064 1.00 14.15 C ATOM 920 O LEU A 60 6.191 18.846 10.587 1.00 13.27 O ATOM 921 CB LEU A 60 3.680 20.347 11.826 1.00 15.84 C ATOM 922 CG LEU A 60 2.487 20.501 12.766 1.00 16.91 C ATOM 923 CD1 LEU A 60 2.939 21.184 14.059 1.00 19.57 C ATOM 924 CD2 LEU A 60 1.410 21.351 12.086 1.00 15.01 C ATOM 0 H LEU A 60 5.820 20.674 13.086 1.00 15.83 H new ATOM 0 HA LEU A 60 3.924 18.469 12.848 1.00 14.53 H new ATOM 0 HB2 LEU A 60 4.272 21.263 11.819 1.00 15.84 H new ATOM 0 HB3 LEU A 60 3.334 20.183 10.806 1.00 15.84 H new ATOM 0 HG LEU A 60 2.079 19.518 13.001 1.00 16.91 H new ATOM 0 HD11 LEU A 60 2.087 21.294 14.730 1.00 19.57 H new ATOM 0 HD12 LEU A 60 3.705 20.578 14.542 1.00 19.57 H new ATOM 0 HD13 LEU A 60 3.347 22.168 13.827 1.00 19.57 H new ATOM 0 HD21 LEU A 60 0.557 21.462 12.756 1.00 15.01 H new ATOM 0 HD22 LEU A 60 1.817 22.334 11.851 1.00 15.01 H new ATOM 0 HD23 LEU A 60 1.088 20.863 11.166 1.00 15.01 H new ATOM 936 N TYR A 61 4.491 17.464 10.555 1.00 11.12 N ATOM 937 CA TYR A 61 5.052 16.764 9.375 1.00 9.57 C ATOM 938 C TYR A 61 3.973 16.452 8.359 1.00 11.76 C ATOM 939 O TYR A 61 2.790 16.479 8.635 1.00 11.26 O ATOM 940 CB TYR A 61 5.705 15.456 9.810 1.00 9.42 C ATOM 941 CG TYR A 61 7.085 15.745 10.324 1.00 10.29 C ATOM 942 CD1 TYR A 61 7.246 16.419 11.534 1.00 10.68 C ATOM 943 CD2 TYR A 61 8.202 15.357 9.577 1.00 10.26 C ATOM 944 CE1 TYR A 61 8.527 16.706 12.005 1.00 13.03 C ATOM 945 CE2 TYR A 61 9.484 15.644 10.045 1.00 13.99 C ATOM 946 CZ TYR A 61 9.645 16.319 11.259 1.00 11.06 C ATOM 947 OH TYR A 61 10.911 16.603 11.729 1.00 14.61 O ATOM 0 H TYR A 61 3.605 17.098 10.904 1.00 11.12 H new ATOM 0 HA TYR A 61 5.790 17.423 8.918 1.00 9.57 H new ATOM 0 HB2 TYR A 61 5.107 14.977 10.585 1.00 9.42 H new ATOM 0 HB3 TYR A 61 5.754 14.762 8.971 1.00 9.42 H new ATOM 0 HD1 TYR A 61 6.380 16.718 12.106 1.00 10.68 H new ATOM 0 HD2 TYR A 61 8.072 14.836 8.640 1.00 10.26 H new ATOM 0 HE1 TYR A 61 8.655 17.226 12.943 1.00 13.03 H new ATOM 0 HE2 TYR A 61 10.349 15.346 9.472 1.00 13.99 H new ATOM 0 HH TYR A 61 10.888 16.678 12.706 1.00 14.61 H new ATOM 957 N THR A 62 4.404 16.121 7.186 1.00 12.22 N ATOM 958 CA THR A 62 3.475 15.754 6.105 1.00 14.26 C ATOM 959 C THR A 62 4.174 14.684 5.298 1.00 15.40 C ATOM 960 O THR A 62 5.259 14.888 4.790 1.00 16.24 O ATOM 961 CB THR A 62 3.178 16.959 5.225 1.00 15.07 C ATOM 962 OG1 THR A 62 4.354 17.335 4.521 1.00 18.36 O ATOM 963 CG2 THR A 62 2.710 18.117 6.102 1.00 11.61 C ATOM 0 H THR A 62 5.390 16.089 6.927 1.00 12.22 H new ATOM 0 HA THR A 62 2.524 15.401 6.505 1.00 14.26 H new ATOM 0 HB THR A 62 2.397 16.707 4.508 1.00 15.07 H new ATOM 0 HG1 THR A 62 4.162 18.110 3.953 1.00 18.36 H new ATOM 0 HG21 THR A 62 2.496 18.984 5.477 1.00 11.61 H new ATOM 0 HG22 THR A 62 1.808 17.825 6.639 1.00 11.61 H new ATOM 0 HG23 THR A 62 3.492 18.371 6.818 1.00 11.61 H new ATOM 971 N VAL A 63 3.596 13.538 5.200 1.00 14.65 N ATOM 972 CA VAL A 63 4.280 12.470 4.449 1.00 15.17 C ATOM 973 C VAL A 63 4.626 12.988 3.062 1.00 14.24 C ATOM 974 O VAL A 63 4.132 14.008 2.623 1.00 19.13 O ATOM 975 CB VAL A 63 3.401 11.234 4.356 1.00 15.23 C ATOM 976 CG1 VAL A 63 4.289 10.028 4.065 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.672 11.020 5.689 1.00 18.64 C ATOM 0 H VAL A 63 2.691 13.293 5.601 1.00 14.65 H new ATOM 0 HA VAL A 63 5.195 12.187 4.970 1.00 15.17 H new ATOM 0 HB VAL A 63 2.665 11.359 3.562 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.673 9.131 3.995 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.814 10.182 3.122 1.00 14.85 H new ATOM 0 HG13 VAL A 63 5.015 9.908 4.869 1.00 14.85 H new ATOM 0 HG21 VAL A 63 2.042 10.133 5.621 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.403 10.885 6.486 1.00 18.64 H new ATOM 0 HG23 VAL A 63 2.052 11.889 5.908 1.00 18.64 H new ATOM 987 N HIS A 64 5.483 12.302 2.377 1.00 13.31 N ATOM 988 CA HIS A 64 5.884 12.757 1.022 1.00 10.78 C ATOM 989 C HIS A 64 5.688 11.608 0.036 1.00 14.19 C ATOM 990 O HIS A 64 6.139 10.499 0.265 1.00 11.59 O ATOM 991 CB HIS A 64 7.357 13.174 1.042 1.00 11.86 C ATOM 992 CG HIS A 64 7.620 14.186 -0.043 1.00 13.39 C ATOM 993 ND1 HIS A 64 7.030 14.102 -1.294 1.00 17.90 N ATOM 994 CD2 HIS A 64 8.426 15.297 -0.085 1.00 17.63 C ATOM 995 CE1 HIS A 64 7.488 15.125 -2.031 1.00 19.32 C ATOM 996 NE2 HIS A 64 8.342 15.889 -1.343 1.00 20.65 N ATOM 0 H HIS A 64 5.927 11.441 2.695 1.00 13.31 H new ATOM 0 HA HIS A 64 5.274 13.608 0.719 1.00 10.78 H new ATOM 0 HB2 HIS A 64 7.611 13.596 2.014 1.00 11.86 H new ATOM 0 HB3 HIS A 64 7.993 12.301 0.898 1.00 11.86 H new ATOM 0 HD2 HIS A 64 9.033 15.657 0.733 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.201 15.309 -3.056 1.00 19.32 H new ATOM 0 HE2 HIS A 64 8.827 16.725 -1.669 1.00 20.65 H new ATOM 1004 N LEU A 65 5.024 11.860 -1.061 1.00 12.93 N ATOM 1005 CA LEU A 65 4.805 10.782 -2.058 1.00 14.44 C ATOM 1006 C LEU A 65 6.118 10.461 -2.770 1.00 12.66 C ATOM 1007 O LEU A 65 6.171 9.595 -3.621 1.00 10.20 O ATOM 1008 CB LEU A 65 3.750 11.219 -3.076 1.00 14.94 C ATOM 1009 CG LEU A 65 4.341 12.242 -4.025 1.00 19.65 C ATOM 1010 CD1 LEU A 65 4.054 11.815 -5.467 1.00 15.75 C ATOM 1011 CD2 LEU A 65 3.715 13.610 -3.758 1.00 19.03 C ATOM 0 H LEU A 65 4.626 12.766 -1.306 1.00 12.93 H new ATOM 0 HA LEU A 65 4.451 9.888 -1.545 1.00 14.44 H new ATOM 0 HB2 LEU A 65 3.392 10.355 -3.636 1.00 14.94 H new ATOM 0 HB3 LEU A 65 2.889 11.643 -2.560 1.00 14.94 H new ATOM 0 HG LEU A 65 5.418 12.306 -3.871 1.00 19.65 H new ATOM 0 HD11 LEU A 65 4.477 12.548 -6.154 1.00 15.75 H new ATOM 0 HD12 LEU A 65 4.504 10.840 -5.654 1.00 15.75 H new ATOM 0 HD13 LEU A 65 2.977 11.753 -5.621 1.00 15.75 H new ATOM 0 HD21 LEU A 65 4.141 14.345 -4.441 1.00 19.03 H new ATOM 0 HD22 LEU A 65 2.637 13.553 -3.912 1.00 19.03 H new ATOM 0 HD23 LEU A 65 3.919 13.909 -2.730 1.00 19.03 H new ATOM 1023 N SER A 66 7.190 11.126 -2.421 1.00 13.51 N ATOM 1024 CA SER A 66 8.481 10.811 -3.077 1.00 10.39 C ATOM 1025 C SER A 66 8.720 9.312 -2.910 1.00 8.56 C ATOM 1026 O SER A 66 9.474 8.697 -3.636 1.00 11.70 O ATOM 1027 CB SER A 66 9.608 11.593 -2.401 1.00 12.88 C ATOM 1028 OG SER A 66 10.764 10.770 -2.311 1.00 14.72 O ATOM 0 H SER A 66 7.222 11.864 -1.718 1.00 13.51 H new ATOM 0 HA SER A 66 8.457 11.084 -4.132 1.00 10.39 H new ATOM 0 HB2 SER A 66 9.833 12.494 -2.971 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.298 11.914 -1.407 1.00 12.88 H new ATOM 0 HG SER A 66 11.488 11.269 -1.880 1.00 14.72 H new ATOM 1034 N SER A 67 8.066 8.727 -1.938 1.00 7.98 N ATOM 1035 CA SER A 67 8.221 7.272 -1.682 1.00 8.20 C ATOM 1036 C SER A 67 7.105 6.491 -2.390 1.00 11.02 C ATOM 1037 O SER A 67 7.122 5.277 -2.437 1.00 11.45 O ATOM 1038 CB SER A 67 8.134 7.018 -0.178 1.00 8.01 C ATOM 1039 OG SER A 67 9.101 7.821 0.487 1.00 11.22 O ATOM 0 H SER A 67 7.425 9.206 -1.306 1.00 7.98 H new ATOM 0 HA SER A 67 9.187 6.941 -2.064 1.00 8.20 H new ATOM 0 HB2 SER A 67 7.134 7.255 0.186 1.00 8.01 H new ATOM 0 HB3 SER A 67 8.310 5.964 0.036 1.00 8.01 H new ATOM 0 HG SER A 67 9.437 7.344 1.275 1.00 11.22 H new ATOM 1045 N PHE A 68 6.126 7.175 -2.922 1.00 10.09 N ATOM 1046 CA PHE A 68 5.002 6.470 -3.602 1.00 11.79 C ATOM 1047 C PHE A 68 5.437 6.036 -5.000 1.00 12.69 C ATOM 1048 O PHE A 68 6.344 6.596 -5.583 1.00 14.25 O ATOM 1049 CB PHE A 68 3.796 7.413 -3.706 1.00 10.08 C ATOM 1050 CG PHE A 68 3.435 7.954 -2.338 1.00 11.89 C ATOM 1051 CD1 PHE A 68 4.135 7.543 -1.190 1.00 12.12 C ATOM 1052 CD2 PHE A 68 2.419 8.910 -2.227 1.00 10.16 C ATOM 1053 CE1 PHE A 68 3.817 8.092 0.054 1.00 10.35 C ATOM 1054 CE2 PHE A 68 2.100 9.452 -0.980 1.00 9.89 C ATOM 1055 CZ PHE A 68 2.801 9.045 0.158 1.00 11.87 C ATOM 0 H PHE A 68 6.057 8.193 -2.914 1.00 10.09 H new ATOM 0 HA PHE A 68 4.725 5.589 -3.024 1.00 11.79 H new ATOM 0 HB2 PHE A 68 4.027 8.237 -4.382 1.00 10.08 H new ATOM 0 HB3 PHE A 68 2.945 6.881 -4.131 1.00 10.08 H new ATOM 0 HD1 PHE A 68 4.918 6.803 -1.270 1.00 12.12 H new ATOM 0 HD2 PHE A 68 1.881 9.229 -3.107 1.00 10.16 H new ATOM 0 HE1 PHE A 68 4.357 7.780 0.936 1.00 10.35 H new ATOM 0 HE2 PHE A 68 1.312 10.185 -0.895 1.00 9.89 H new ATOM 0 HZ PHE A 68 2.557 9.468 1.121 1.00 11.87 H new ATOM 1065 N LYS A 69 4.795 5.040 -5.542 1.00 12.51 N ATOM 1066 CA LYS A 69 5.168 4.565 -6.902 1.00 15.38 C ATOM 1067 C LYS A 69 3.919 4.063 -7.623 1.00 15.02 C ATOM 1068 O LYS A 69 2.848 3.985 -7.054 1.00 15.36 O ATOM 1069 CB LYS A 69 6.182 3.426 -6.785 1.00 16.04 C ATOM 1070 CG LYS A 69 7.522 3.985 -6.304 1.00 20.35 C ATOM 1071 CD LYS A 69 8.665 3.241 -6.995 1.00 21.35 C ATOM 1072 CE LYS A 69 9.621 2.679 -5.942 1.00 30.24 C ATOM 1073 NZ LYS A 69 10.579 1.739 -6.591 1.00 32.70 N ATOM 0 H LYS A 69 4.027 4.534 -5.101 1.00 12.51 H new ATOM 0 HA LYS A 69 5.610 5.386 -7.466 1.00 15.38 H new ATOM 0 HB2 LYS A 69 5.819 2.672 -6.087 1.00 16.04 H new ATOM 0 HB3 LYS A 69 6.306 2.934 -7.750 1.00 16.04 H new ATOM 0 HG2 LYS A 69 7.583 5.051 -6.524 1.00 20.35 H new ATOM 0 HG3 LYS A 69 7.606 3.877 -5.223 1.00 20.35 H new ATOM 0 HD2 LYS A 69 8.268 2.433 -7.609 1.00 21.35 H new ATOM 0 HD3 LYS A 69 9.200 3.915 -7.664 1.00 21.35 H new ATOM 0 HE2 LYS A 69 10.163 3.491 -5.458 1.00 30.24 H new ATOM 0 HE3 LYS A 69 9.059 2.162 -5.164 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 11.229 1.357 -5.875 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 10.053 0.958 -7.033 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 11.124 2.245 -7.318 1.00 32.70 H new ATOM 1087 N VAL A 70 4.047 3.723 -8.874 1.00 13.65 N ATOM 1088 CA VAL A 70 2.866 3.227 -9.636 1.00 13.49 C ATOM 1089 C VAL A 70 3.054 1.743 -9.957 1.00 11.85 C ATOM 1090 O VAL A 70 3.905 1.370 -10.739 1.00 12.13 O ATOM 1091 CB VAL A 70 2.714 4.011 -10.941 1.00 14.48 C ATOM 1092 CG1 VAL A 70 1.230 4.257 -11.215 1.00 14.02 C ATOM 1093 CG2 VAL A 70 3.444 5.357 -10.837 1.00 15.63 C ATOM 0 H VAL A 70 4.918 3.767 -9.403 1.00 13.65 H new ATOM 0 HA VAL A 70 1.970 3.364 -9.030 1.00 13.49 H new ATOM 0 HB VAL A 70 3.149 3.433 -11.756 1.00 14.48 H new ATOM 0 HG11 VAL A 70 1.119 4.816 -12.144 1.00 14.02 H new ATOM 0 HG12 VAL A 70 0.713 3.301 -11.302 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.798 4.830 -10.394 1.00 14.02 H new ATOM 0 HG21 VAL A 70 3.329 5.906 -11.771 1.00 15.63 H new ATOM 0 HG22 VAL A 70 3.019 5.939 -10.019 1.00 15.63 H new ATOM 0 HG23 VAL A 70 4.503 5.183 -10.646 1.00 15.63 H new ATOM 1103 N GLY A 71 2.265 0.894 -9.358 1.00 11.15 N ATOM 1104 CA GLY A 71 2.397 -0.565 -9.629 1.00 11.07 C ATOM 1105 C GLY A 71 1.737 -0.897 -10.968 1.00 12.15 C ATOM 1106 O GLY A 71 1.252 -0.026 -11.663 1.00 12.70 O ATOM 0 H GLY A 71 1.535 1.148 -8.693 1.00 11.15 H new ATOM 0 HA2 GLY A 71 3.449 -0.848 -9.650 1.00 11.07 H new ATOM 0 HA3 GLY A 71 1.929 -1.138 -8.829 1.00 11.07 H new ATOM 1110 N GLN A 72 1.714 -2.148 -11.338 1.00 15.78 N ATOM 1111 CA GLN A 72 1.087 -2.527 -12.632 1.00 19.42 C ATOM 1112 C GLN A 72 -0.396 -2.829 -12.413 1.00 16.97 C ATOM 1113 O GLN A 72 -0.947 -3.741 -12.997 1.00 20.46 O ATOM 1114 CB GLN A 72 1.784 -3.766 -13.196 1.00 22.64 C ATOM 1115 CG GLN A 72 1.843 -3.668 -14.721 1.00 25.29 C ATOM 1116 CD GLN A 72 0.428 -3.501 -15.278 1.00 26.29 C ATOM 1117 OE1 GLN A 72 -0.068 -2.302 -15.414 1.00 26.22 O flip ATOM 1118 NE2 GLN A 72 -0.232 -4.471 -15.591 1.00 25.15 N flip ATOM 0 H GLN A 72 2.102 -2.922 -10.800 1.00 15.78 H new ATOM 0 HA GLN A 72 1.188 -1.703 -13.338 1.00 19.42 H new ATOM 0 HB2 GLN A 72 2.791 -3.848 -12.787 1.00 22.64 H new ATOM 0 HB3 GLN A 72 1.245 -4.666 -12.899 1.00 22.64 H new ATOM 0 HG2 GLN A 72 2.464 -2.823 -15.018 1.00 25.29 H new ATOM 0 HG3 GLN A 72 2.305 -4.564 -15.136 1.00 25.29 H new ATOM 0 HE21 GLN A 72 0.156 -5.408 -15.484 1.00 25.15 H new ATOM 0 HE22 GLN A 72 -1.175 -4.349 -15.961 1.00 25.15 H new ATOM 1127 N PHE A 73 -1.048 -2.070 -11.577 1.00 14.56 N ATOM 1128 CA PHE A 73 -2.496 -2.315 -11.322 1.00 14.60 C ATOM 1129 C PHE A 73 -3.259 -0.992 -11.389 1.00 15.63 C ATOM 1130 O PHE A 73 -4.315 -0.843 -10.807 1.00 17.80 O ATOM 1131 CB PHE A 73 -2.672 -2.937 -9.938 1.00 12.63 C ATOM 1132 CG PHE A 73 -2.918 -4.417 -10.086 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -4.078 -4.874 -10.721 1.00 19.79 C ATOM 1134 CD2 PHE A 73 -1.985 -5.335 -9.588 1.00 16.27 C ATOM 1135 CE1 PHE A 73 -4.306 -6.249 -10.859 1.00 18.68 C ATOM 1136 CE2 PHE A 73 -2.213 -6.710 -9.726 1.00 20.44 C ATOM 1137 CZ PHE A 73 -3.373 -7.166 -10.362 1.00 17.88 C ATOM 0 H PHE A 73 -0.642 -1.291 -11.059 1.00 14.56 H new ATOM 0 HA PHE A 73 -2.887 -2.996 -12.078 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -1.783 -2.763 -9.332 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -3.508 -2.468 -9.419 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -4.798 -4.166 -11.105 1.00 19.79 H new ATOM 0 HD2 PHE A 73 -1.090 -4.983 -9.098 1.00 16.27 H new ATOM 0 HE1 PHE A 73 -5.202 -6.601 -11.349 1.00 18.68 H new ATOM 0 HE2 PHE A 73 -1.494 -7.418 -9.342 1.00 20.44 H new ATOM 0 HZ PHE A 73 -3.548 -8.226 -10.469 1.00 17.88 H new ATOM 1147 N GLY A 74 -2.734 -0.033 -12.097 1.00 13.82 N ATOM 1148 CA GLY A 74 -3.427 1.281 -12.207 1.00 13.44 C ATOM 1149 C GLY A 74 -3.802 1.780 -10.811 1.00 10.42 C ATOM 1150 O GLY A 74 -4.958 2.010 -10.514 1.00 13.62 O ATOM 0 H GLY A 74 -1.853 -0.102 -12.606 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -2.779 2.005 -12.702 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -4.322 1.182 -12.822 1.00 13.44 H new ATOM 1154 N SER A 75 -2.835 1.949 -9.952 1.00 12.64 N ATOM 1155 CA SER A 75 -3.141 2.432 -8.576 1.00 12.47 C ATOM 1156 C SER A 75 -1.845 2.848 -7.876 1.00 12.47 C ATOM 1157 O SER A 75 -0.868 2.127 -7.879 1.00 11.32 O ATOM 1158 CB SER A 75 -3.808 1.309 -7.780 1.00 11.21 C ATOM 1159 OG SER A 75 -3.668 0.085 -8.488 1.00 18.27 O ATOM 0 H SER A 75 -1.848 1.774 -10.143 1.00 12.64 H new ATOM 0 HA SER A 75 -3.812 3.289 -8.635 1.00 12.47 H new ATOM 0 HB2 SER A 75 -3.352 1.226 -6.794 1.00 11.21 H new ATOM 0 HB3 SER A 75 -4.863 1.534 -7.625 1.00 11.21 H new ATOM 0 HG SER A 75 -4.366 0.022 -9.173 1.00 18.27 H new ATOM 1165 N LEU A 76 -1.831 4.005 -7.272 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.600 4.461 -6.568 1.00 12.18 C ATOM 1167 C LEU A 76 -0.383 3.594 -5.326 1.00 12.07 C ATOM 1168 O LEU A 76 -1.314 3.044 -4.773 1.00 9.82 O ATOM 1169 CB LEU A 76 -0.763 5.924 -6.150 1.00 11.99 C ATOM 1170 CG LEU A 76 0.497 6.705 -6.525 1.00 8.87 C ATOM 1171 CD1 LEU A 76 0.516 6.950 -8.035 1.00 9.28 C ATOM 1172 CD2 LEU A 76 0.501 8.048 -5.789 1.00 7.80 C ATOM 0 H LEU A 76 -2.618 4.653 -7.236 1.00 12.43 H new ATOM 0 HA LEU A 76 0.259 4.371 -7.233 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -1.633 6.359 -6.642 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -0.938 5.989 -5.076 1.00 11.99 H new ATOM 0 HG LEU A 76 1.379 6.131 -6.240 1.00 8.87 H new ATOM 0 HD11 LEU A 76 1.414 7.507 -8.302 1.00 9.28 H new ATOM 0 HD12 LEU A 76 0.512 5.994 -8.559 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -0.365 7.524 -8.322 1.00 9.28 H new ATOM 0 HD21 LEU A 76 1.399 8.606 -6.055 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -0.381 8.622 -6.074 1.00 7.80 H new ATOM 0 HD23 LEU A 76 0.488 7.873 -4.713 1.00 7.80 H new ATOM 1184 N MET A 77 0.837 3.463 -4.884 1.00 14.08 N ATOM 1185 CA MET A 77 1.103 2.627 -3.679 1.00 14.12 C ATOM 1186 C MET A 77 2.388 3.101 -3.001 1.00 11.37 C ATOM 1187 O MET A 77 3.447 3.118 -3.596 1.00 11.44 O ATOM 1188 CB MET A 77 1.261 1.164 -4.096 1.00 16.48 C ATOM 1189 CG MET A 77 -0.065 0.645 -4.655 1.00 24.75 C ATOM 1190 SD MET A 77 -1.327 0.693 -3.358 1.00 35.11 S ATOM 1191 CE MET A 77 -1.816 -1.047 -3.454 1.00 33.86 C ATOM 0 H MET A 77 1.659 3.897 -5.303 1.00 14.08 H new ATOM 0 HA MET A 77 0.268 2.720 -2.984 1.00 14.12 H new ATOM 0 HB2 MET A 77 2.045 1.072 -4.847 1.00 16.48 H new ATOM 0 HB3 MET A 77 1.567 0.562 -3.240 1.00 16.48 H new ATOM 0 HG2 MET A 77 -0.377 1.254 -5.504 1.00 24.75 H new ATOM 0 HG3 MET A 77 0.057 -0.374 -5.021 1.00 24.75 H new ATOM 0 HE1 MET A 77 -2.601 -1.245 -2.724 1.00 33.86 H new ATOM 0 HE2 MET A 77 -2.187 -1.266 -4.455 1.00 33.86 H new ATOM 0 HE3 MET A 77 -0.954 -1.679 -3.240 1.00 33.86 H new ATOM 1201 N ILE A 78 2.303 3.486 -1.759 1.00 11.78 N ATOM 1202 CA ILE A 78 3.519 3.958 -1.040 1.00 11.62 C ATOM 1203 C ILE A 78 4.593 2.866 -1.063 1.00 11.45 C ATOM 1204 O ILE A 78 4.306 1.693 -0.929 1.00 12.59 O ATOM 1205 CB ILE A 78 3.167 4.267 0.412 1.00 12.05 C ATOM 1206 CG1 ILE A 78 2.292 5.522 0.481 1.00 7.09 C ATOM 1207 CG2 ILE A 78 4.449 4.488 1.216 1.00 10.70 C ATOM 1208 CD1 ILE A 78 0.951 5.172 1.134 1.00 13.67 C ATOM 0 H ILE A 78 1.443 3.494 -1.210 1.00 11.78 H new ATOM 0 HA ILE A 78 3.894 4.855 -1.532 1.00 11.62 H new ATOM 0 HB ILE A 78 2.617 3.425 0.833 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.797 6.299 1.055 1.00 7.09 H new ATOM 0 HG13 ILE A 78 2.128 5.920 -0.520 1.00 7.09 H new ATOM 0 HG21 ILE A 78 4.195 4.709 2.253 1.00 10.70 H new ATOM 0 HG22 ILE A 78 5.063 3.588 1.176 1.00 10.70 H new ATOM 0 HG23 ILE A 78 5.004 5.325 0.793 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.327 6.064 1.184 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.446 4.409 0.542 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.125 4.794 2.141 1.00 13.67 H new ATOM 1220 N ASP A 79 5.828 3.250 -1.209 1.00 10.05 N ATOM 1221 CA ASP A 79 6.939 2.252 -1.218 1.00 14.79 C ATOM 1222 C ASP A 79 7.849 2.505 -0.008 1.00 15.20 C ATOM 1223 O ASP A 79 8.792 1.781 0.238 1.00 18.10 O ATOM 1224 CB ASP A 79 7.750 2.400 -2.508 1.00 12.21 C ATOM 1225 CG ASP A 79 8.191 1.019 -2.996 1.00 17.52 C ATOM 1226 OD1 ASP A 79 9.219 0.550 -2.536 1.00 24.06 O ATOM 1227 OD2 ASP A 79 7.493 0.453 -3.822 1.00 21.87 O ATOM 0 H ASP A 79 6.121 4.220 -1.324 1.00 10.05 H new ATOM 0 HA ASP A 79 6.528 1.244 -1.166 1.00 14.79 H new ATOM 0 HB2 ASP A 79 7.150 2.893 -3.273 1.00 12.21 H new ATOM 0 HB3 ASP A 79 8.622 3.030 -2.332 1.00 12.21 H new ATOM 1232 N ARG A 80 7.557 3.535 0.744 1.00 17.08 N ATOM 1233 CA ARG A 80 8.363 3.885 1.948 1.00 17.14 C ATOM 1234 C ARG A 80 8.146 5.368 2.213 1.00 14.98 C ATOM 1235 O ARG A 80 9.046 6.179 2.127 1.00 16.47 O ATOM 1236 CB ARG A 80 9.850 3.600 1.713 1.00 17.78 C ATOM 1237 CG ARG A 80 10.674 4.249 2.827 1.00 22.76 C ATOM 1238 CD ARG A 80 11.657 3.224 3.395 1.00 28.43 C ATOM 1239 NE ARG A 80 13.049 3.616 3.036 1.00 33.10 N ATOM 1240 CZ ARG A 80 14.064 3.070 3.652 1.00 30.84 C ATOM 1241 NH1 ARG A 80 13.863 2.177 4.584 1.00 33.12 N ATOM 1242 NH2 ARG A 80 15.281 3.417 3.335 1.00 35.04 N ATOM 0 H ARG A 80 6.773 4.163 0.567 1.00 17.08 H new ATOM 0 HA ARG A 80 8.051 3.284 2.802 1.00 17.14 H new ATOM 0 HB2 ARG A 80 10.027 2.525 1.694 1.00 17.78 H new ATOM 0 HB3 ARG A 80 10.158 3.991 0.743 1.00 17.78 H new ATOM 0 HG2 ARG A 80 11.215 5.112 2.439 1.00 22.76 H new ATOM 0 HG3 ARG A 80 10.016 4.614 3.616 1.00 22.76 H new ATOM 0 HD2 ARG A 80 11.552 3.166 4.478 1.00 28.43 H new ATOM 0 HD3 ARG A 80 11.434 2.233 3.000 1.00 28.43 H new ATOM 0 HE ARG A 80 13.210 4.312 2.308 1.00 33.10 H new ATOM 0 HH11 ARG A 80 12.912 1.904 4.832 1.00 33.12 H new ATOM 0 HH12 ARG A 80 14.657 1.752 5.063 1.00 33.12 H new ATOM 0 HH21 ARG A 80 15.439 4.114 2.607 1.00 35.04 H new ATOM 0 HH22 ARG A 80 16.074 2.992 3.815 1.00 35.04 H new ATOM 1256 N LEU A 81 6.924 5.702 2.496 1.00 11.03 N ATOM 1257 CA LEU A 81 6.516 7.112 2.744 1.00 11.27 C ATOM 1258 C LEU A 81 7.672 7.961 3.294 1.00 15.61 C ATOM 1259 O LEU A 81 8.217 7.692 4.345 1.00 18.56 O ATOM 1260 CB LEU A 81 5.327 7.097 3.710 1.00 13.62 C ATOM 1261 CG LEU A 81 5.796 7.283 5.150 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.573 7.374 6.066 1.00 11.44 C ATOM 1263 CD2 LEU A 81 6.652 6.077 5.561 1.00 18.72 C ATOM 0 H LEU A 81 6.160 5.030 2.569 1.00 11.03 H new ATOM 0 HA LEU A 81 6.228 7.576 1.801 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.628 7.890 3.445 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.789 6.154 3.617 1.00 13.62 H new ATOM 0 HG LEU A 81 6.386 8.196 5.233 1.00 12.84 H new ATOM 0 HD11 LEU A 81 4.900 7.507 7.097 1.00 11.44 H new ATOM 0 HD12 LEU A 81 3.958 8.223 5.768 1.00 11.44 H new ATOM 0 HD13 LEU A 81 3.989 6.457 5.986 1.00 11.44 H new ATOM 0 HD21 LEU A 81 6.990 6.204 6.589 1.00 18.72 H new ATOM 0 HD22 LEU A 81 6.058 5.166 5.484 1.00 18.72 H new ATOM 0 HD23 LEU A 81 7.517 6.003 4.901 1.00 18.72 H new ATOM 1275 N ARG A 82 8.034 9.001 2.586 1.00 13.37 N ATOM 1276 CA ARG A 82 9.134 9.889 3.061 1.00 12.72 C ATOM 1277 C ARG A 82 8.524 11.028 3.884 1.00 13.33 C ATOM 1278 O ARG A 82 7.964 11.964 3.349 1.00 13.27 O ATOM 1279 CB ARG A 82 9.880 10.469 1.857 1.00 13.85 C ATOM 1280 CG ARG A 82 11.220 9.750 1.689 1.00 16.22 C ATOM 1281 CD ARG A 82 12.245 10.349 2.651 1.00 16.62 C ATOM 1282 NE ARG A 82 13.267 11.121 1.877 1.00 15.85 N ATOM 1283 CZ ARG A 82 13.860 10.604 0.831 1.00 17.96 C ATOM 1284 NH1 ARG A 82 13.722 9.336 0.541 1.00 20.55 N ATOM 1285 NH2 ARG A 82 14.645 11.349 0.101 1.00 16.89 N ATOM 0 H ARG A 82 7.613 9.273 1.698 1.00 13.37 H new ATOM 0 HA ARG A 82 9.834 9.320 3.674 1.00 12.72 H new ATOM 0 HB2 ARG A 82 9.279 10.355 0.955 1.00 13.85 H new ATOM 0 HB3 ARG A 82 10.044 11.537 1.998 1.00 13.85 H new ATOM 0 HG2 ARG A 82 11.100 8.685 1.886 1.00 16.22 H new ATOM 0 HG3 ARG A 82 11.570 9.847 0.661 1.00 16.22 H new ATOM 0 HD2 ARG A 82 11.748 11.002 3.368 1.00 16.62 H new ATOM 0 HD3 ARG A 82 12.729 9.557 3.223 1.00 16.62 H new ATOM 0 HE ARG A 82 13.506 12.068 2.170 1.00 15.85 H new ATOM 0 HH11 ARG A 82 13.147 8.737 1.133 1.00 20.55 H new ATOM 0 HH12 ARG A 82 14.190 8.946 -0.277 1.00 20.55 H new ATOM 0 HH21 ARG A 82 14.793 12.328 0.347 1.00 16.89 H new ATOM 0 HH22 ARG A 82 15.110 10.952 -0.715 1.00 16.89 H new ATOM 1299 N LEU A 83 8.607 10.941 5.183 1.00 13.53 N ATOM 1300 CA LEU A 83 8.009 12.002 6.049 1.00 13.86 C ATOM 1301 C LEU A 83 8.798 13.307 5.952 1.00 13.02 C ATOM 1302 O LEU A 83 10.007 13.318 5.830 1.00 14.40 O ATOM 1303 CB LEU A 83 8.017 11.549 7.507 1.00 9.93 C ATOM 1304 CG LEU A 83 6.596 11.561 8.070 1.00 8.07 C ATOM 1305 CD1 LEU A 83 6.657 11.446 9.597 1.00 8.88 C ATOM 1306 CD2 LEU A 83 5.912 12.875 7.690 1.00 10.58 C ATOM 0 H LEU A 83 9.064 10.180 5.685 1.00 13.53 H new ATOM 0 HA LEU A 83 6.989 12.171 5.704 1.00 13.86 H new ATOM 0 HB2 LEU A 83 8.437 10.546 7.582 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.655 12.207 8.097 1.00 9.93 H new ATOM 0 HG LEU A 83 6.032 10.723 7.660 1.00 8.07 H new ATOM 0 HD11 LEU A 83 5.646 11.454 10.003 1.00 8.88 H new ATOM 0 HD12 LEU A 83 7.151 10.514 9.872 1.00 8.88 H new ATOM 0 HD13 LEU A 83 7.218 12.288 10.003 1.00 8.88 H new ATOM 0 HD21 LEU A 83 4.898 12.886 8.090 1.00 10.58 H new ATOM 0 HD22 LEU A 83 6.475 13.711 8.104 1.00 10.58 H new ATOM 0 HD23 LEU A 83 5.875 12.965 6.604 1.00 10.58 H new ATOM 1318 N VAL A 84 8.105 14.407 6.030 1.00 11.81 N ATOM 1319 CA VAL A 84 8.761 15.731 5.974 1.00 12.86 C ATOM 1320 C VAL A 84 7.968 16.689 6.870 1.00 14.98 C ATOM 1321 O VAL A 84 6.777 16.523 7.032 1.00 13.59 O ATOM 1322 CB VAL A 84 8.736 16.230 4.531 1.00 14.61 C ATOM 1323 CG1 VAL A 84 9.524 15.267 3.641 1.00 17.65 C ATOM 1324 CG2 VAL A 84 7.286 16.307 4.045 1.00 17.34 C ATOM 0 H VAL A 84 7.091 14.439 6.132 1.00 11.81 H new ATOM 0 HA VAL A 84 9.795 15.671 6.315 1.00 12.86 H new ATOM 0 HB VAL A 84 9.190 17.220 4.481 1.00 14.61 H new ATOM 0 HG11 VAL A 84 9.505 15.625 2.612 1.00 17.65 H new ATOM 0 HG12 VAL A 84 10.556 15.213 3.987 1.00 17.65 H new ATOM 0 HG13 VAL A 84 9.073 14.276 3.689 1.00 17.65 H new ATOM 0 HG21 VAL A 84 7.266 16.663 3.015 1.00 17.34 H new ATOM 0 HG22 VAL A 84 6.832 15.317 4.096 1.00 17.34 H new ATOM 0 HG23 VAL A 84 6.726 16.996 4.678 1.00 17.34 H new ATOM 1334 N PRO A 85 8.636 17.669 7.417 1.00 18.65 N ATOM 1335 CA PRO A 85 7.992 18.669 8.287 1.00 22.41 C ATOM 1336 C PRO A 85 6.939 19.462 7.504 1.00 25.70 C ATOM 1337 O PRO A 85 7.084 19.705 6.322 1.00 22.08 O ATOM 1338 CB PRO A 85 9.154 19.537 8.773 1.00 21.19 C ATOM 1339 CG PRO A 85 10.296 19.304 7.772 1.00 18.95 C ATOM 1340 CD PRO A 85 10.073 17.890 7.208 1.00 20.63 C ATOM 0 HA PRO A 85 7.447 18.235 9.125 1.00 22.41 H new ATOM 0 HB2 PRO A 85 8.870 20.589 8.805 1.00 21.19 H new ATOM 0 HB3 PRO A 85 9.456 19.258 9.783 1.00 21.19 H new ATOM 0 HG2 PRO A 85 10.278 20.050 6.977 1.00 18.95 H new ATOM 0 HG3 PRO A 85 11.267 19.382 8.261 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.340 17.830 6.153 1.00 20.63 H new ATOM 0 HD3 PRO A 85 10.675 17.148 7.732 1.00 20.63 H new ATOM 1348 N ALA A 86 5.868 19.845 8.149 1.00 31.74 N ATOM 1349 CA ALA A 86 4.791 20.596 7.439 1.00 39.94 C ATOM 1350 C ALA A 86 5.197 22.063 7.288 1.00 46.96 C ATOM 1351 O ALA A 86 5.333 22.782 8.257 1.00 49.29 O ATOM 1352 CB ALA A 86 3.495 20.503 8.248 1.00 39.70 C ATOM 0 H ALA A 86 5.693 19.670 9.138 1.00 31.74 H new ATOM 0 HA ALA A 86 4.638 20.164 6.450 1.00 39.94 H new ATOM 0 HB1 ALA A 86 2.705 21.050 7.734 1.00 39.70 H new ATOM 0 HB2 ALA A 86 3.205 19.457 8.351 1.00 39.70 H new ATOM 0 HB3 ALA A 86 3.651 20.935 9.236 1.00 39.70 H new ATOM 1358 N LYS A 87 5.387 22.513 6.078 1.00 51.78 N ATOM 1359 CA LYS A 87 5.780 23.935 5.864 1.00 55.12 C ATOM 1360 C LYS A 87 4.703 24.642 5.040 1.00 55.82 C ATOM 1361 O LYS A 87 5.064 25.406 4.160 1.00 58.05 O ATOM 1362 CB LYS A 87 7.115 23.993 5.116 1.00 52.96 C ATOM 1363 CG LYS A 87 7.006 23.202 3.811 1.00 55.49 C ATOM 1364 CD LYS A 87 7.976 22.019 3.849 1.00 56.64 C ATOM 1365 CE LYS A 87 9.332 22.451 3.288 1.00 58.91 C ATOM 1366 NZ LYS A 87 9.567 21.779 1.979 1.00 58.16 N ATOM 1367 OXT LYS A 87 3.535 24.407 5.303 1.00 57.66 O ATOM 0 H LYS A 87 5.287 21.958 5.228 1.00 51.78 H new ATOM 0 HA LYS A 87 5.885 24.431 6.829 1.00 55.12 H new ATOM 0 HB2 LYS A 87 7.380 25.029 4.904 1.00 52.96 H new ATOM 0 HB3 LYS A 87 7.910 23.581 5.738 1.00 52.96 H new ATOM 0 HG2 LYS A 87 5.985 22.845 3.674 1.00 55.49 H new ATOM 0 HG3 LYS A 87 7.235 23.847 2.962 1.00 55.49 H new ATOM 0 HD2 LYS A 87 8.091 21.663 4.873 1.00 56.64 H new ATOM 0 HD3 LYS A 87 7.577 21.189 3.265 1.00 56.64 H new ATOM 0 HE2 LYS A 87 9.357 23.533 3.162 1.00 58.91 H new ATOM 0 HE3 LYS A 87 10.126 22.193 3.989 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 10.489 22.073 1.598 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 9.561 20.748 2.112 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 8.816 22.047 1.312 1.00 58.16 H new TER 1381 LYS A 87 ATOM 1382 N MET B 1 2.826 17.705 -3.053 1.00 42.32 N ATOM 1383 CA MET B 1 1.792 16.654 -2.834 1.00 40.89 C ATOM 1384 C MET B 1 1.799 15.678 -4.010 1.00 34.75 C ATOM 1385 O MET B 1 2.467 15.889 -5.003 1.00 33.97 O ATOM 1386 CB MET B 1 0.407 17.311 -2.724 1.00 48.45 C ATOM 1387 CG MET B 1 -0.095 17.715 -4.118 1.00 56.13 C ATOM 1388 SD MET B 1 0.892 19.102 -4.734 1.00 64.91 S ATOM 1389 CE MET B 1 0.086 20.401 -3.765 1.00 63.43 C ATOM 0 H1 MET B 1 3.001 18.211 -2.161 1.00 42.32 H new ATOM 0 H2 MET B 1 3.709 17.261 -3.378 1.00 42.32 H new ATOM 0 H3 MET B 1 2.491 18.377 -3.773 1.00 42.32 H new ATOM 0 HA MET B 1 2.013 16.115 -1.913 1.00 40.89 H new ATOM 0 HB2 MET B 1 -0.297 16.619 -2.261 1.00 48.45 H new ATOM 0 HB3 MET B 1 0.462 18.189 -2.080 1.00 48.45 H new ATOM 0 HG2 MET B 1 -0.021 16.870 -4.802 1.00 56.13 H new ATOM 0 HG3 MET B 1 -1.147 17.996 -4.070 1.00 56.13 H new ATOM 0 HE1 MET B 1 -0.397 21.110 -4.437 1.00 63.43 H new ATOM 0 HE2 MET B 1 -0.662 19.955 -3.109 1.00 63.43 H new ATOM 0 HE3 MET B 1 0.831 20.922 -3.164 1.00 63.43 H new ATOM 1401 N ILE B 2 1.041 14.621 -3.915 1.00 28.59 N ATOM 1402 CA ILE B 2 0.986 13.646 -5.037 1.00 24.58 C ATOM 1403 C ILE B 2 0.301 14.323 -6.221 1.00 19.29 C ATOM 1404 O ILE B 2 -0.876 14.144 -6.461 1.00 19.53 O ATOM 1405 CB ILE B 2 0.186 12.421 -4.607 1.00 25.10 C ATOM 1406 CG1 ILE B 2 0.633 11.979 -3.216 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.426 11.282 -5.592 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.594 11.614 -2.394 1.00 33.80 C ATOM 0 H ILE B 2 0.459 14.391 -3.110 1.00 28.59 H new ATOM 0 HA ILE B 2 1.991 13.329 -5.316 1.00 24.58 H new ATOM 0 HB ILE B 2 -0.874 12.675 -4.589 1.00 25.10 H new ATOM 0 HG12 ILE B 2 1.304 11.124 -3.290 1.00 28.92 H new ATOM 0 HG13 ILE B 2 1.189 12.779 -2.727 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.146 10.407 -5.283 1.00 23.06 H new ATOM 0 HG22 ILE B 2 0.109 11.590 -6.588 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.487 11.034 -5.609 1.00 23.06 H new ATOM 0 HD11 ILE B 2 -0.284 11.297 -1.398 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -1.248 12.482 -2.311 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -1.131 10.801 -2.883 1.00 33.80 H new ATOM 1420 N LYS B 3 1.030 15.124 -6.945 1.00 18.14 N ATOM 1421 CA LYS B 3 0.430 15.851 -8.098 1.00 16.66 C ATOM 1422 C LYS B 3 -0.032 14.874 -9.176 1.00 14.94 C ATOM 1423 O LYS B 3 0.480 13.780 -9.310 1.00 13.94 O ATOM 1424 CB LYS B 3 1.466 16.809 -8.691 1.00 16.94 C ATOM 1425 CG LYS B 3 1.142 18.241 -8.260 1.00 17.85 C ATOM 1426 CD LYS B 3 0.535 19.005 -9.438 1.00 19.63 C ATOM 1427 CE LYS B 3 1.167 20.396 -9.525 1.00 26.28 C ATOM 1428 NZ LYS B 3 0.634 21.254 -8.430 1.00 32.72 N ATOM 0 H LYS B 3 2.021 15.308 -6.787 1.00 18.14 H new ATOM 0 HA LYS B 3 -0.435 16.410 -7.742 1.00 16.66 H new ATOM 0 HB2 LYS B 3 2.466 16.534 -8.355 1.00 16.94 H new ATOM 0 HB3 LYS B 3 1.464 16.736 -9.779 1.00 16.94 H new ATOM 0 HG2 LYS B 3 0.445 18.231 -7.422 1.00 17.85 H new ATOM 0 HG3 LYS B 3 2.047 18.742 -7.916 1.00 17.85 H new ATOM 0 HD2 LYS B 3 0.704 18.458 -10.366 1.00 19.63 H new ATOM 0 HD3 LYS B 3 -0.544 19.092 -9.312 1.00 19.63 H new ATOM 0 HE2 LYS B 3 2.251 20.320 -9.446 1.00 26.28 H new ATOM 0 HE3 LYS B 3 0.948 20.846 -10.493 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 1.064 22.199 -8.489 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 -0.398 21.336 -8.525 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 0.864 20.826 -7.510 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.002 15.278 -9.950 1.00 12.42 N ATOM 1443 CA VAL B 4 -1.520 14.404 -11.032 1.00 12.99 C ATOM 1444 C VAL B 4 -2.327 15.265 -12.014 1.00 14.26 C ATOM 1445 O VAL B 4 -2.680 16.389 -11.726 1.00 13.80 O ATOM 1446 CB VAL B 4 -2.393 13.276 -10.427 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -2.962 13.706 -9.073 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -3.548 12.918 -11.374 1.00 10.41 C ATOM 0 H VAL B 4 -1.460 16.186 -9.875 1.00 12.42 H new ATOM 0 HA VAL B 4 -0.695 13.934 -11.567 1.00 12.99 H new ATOM 0 HB VAL B 4 -1.760 12.399 -10.289 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -3.573 12.902 -8.663 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -2.143 13.926 -8.388 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -3.576 14.597 -9.203 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -4.149 12.124 -10.931 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -4.171 13.797 -11.536 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -3.144 12.578 -12.328 1.00 10.41 H new ATOM 1458 N GLU B 5 -2.607 14.743 -13.175 1.00 9.27 N ATOM 1459 CA GLU B 5 -3.379 15.522 -14.186 1.00 10.51 C ATOM 1460 C GLU B 5 -4.338 14.595 -14.916 1.00 10.00 C ATOM 1461 O GLU B 5 -3.937 13.723 -15.657 1.00 10.96 O ATOM 1462 CB GLU B 5 -2.413 16.147 -15.191 1.00 10.42 C ATOM 1463 CG GLU B 5 -1.855 17.442 -14.607 1.00 18.68 C ATOM 1464 CD GLU B 5 -0.996 18.151 -15.656 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -1.454 18.282 -16.779 1.00 22.12 O ATOM 1466 OE2 GLU B 5 0.106 18.551 -15.317 1.00 19.38 O ATOM 0 H GLU B 5 -2.333 13.806 -13.470 1.00 9.27 H new ATOM 0 HA GLU B 5 -3.944 16.308 -13.685 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -1.601 15.454 -15.414 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -2.927 16.349 -16.131 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -2.671 18.092 -14.292 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -1.259 17.226 -13.720 1.00 18.68 H new ATOM 1473 N ILE B 6 -5.606 14.779 -14.721 1.00 9.86 N ATOM 1474 CA ILE B 6 -6.580 13.900 -15.426 1.00 10.60 C ATOM 1475 C ILE B 6 -6.622 14.318 -16.905 1.00 10.16 C ATOM 1476 O ILE B 6 -7.201 15.324 -17.261 1.00 11.64 O ATOM 1477 CB ILE B 6 -7.968 14.009 -14.757 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.092 12.906 -13.702 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -9.084 13.829 -15.785 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -7.972 13.509 -12.303 1.00 13.81 C ATOM 0 H ILE B 6 -6.012 15.490 -14.112 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.275 12.855 -15.364 1.00 10.60 H new ATOM 0 HB ILE B 6 -8.063 14.996 -14.304 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -9.050 12.396 -13.807 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -7.314 12.157 -13.853 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -10.052 13.910 -15.290 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -9.002 14.601 -16.550 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -8.995 12.847 -16.250 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -8.061 12.719 -11.557 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -7.003 13.998 -12.199 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -8.766 14.241 -12.153 1.00 13.81 H new ATOM 1492 N LYS B 7 -5.995 13.550 -17.764 1.00 11.63 N ATOM 1493 CA LYS B 7 -5.974 13.893 -19.212 1.00 11.59 C ATOM 1494 C LYS B 7 -7.386 14.262 -19.680 1.00 12.98 C ATOM 1495 O LYS B 7 -8.342 14.095 -18.949 1.00 9.79 O ATOM 1496 CB LYS B 7 -5.469 12.678 -19.997 1.00 12.52 C ATOM 1497 CG LYS B 7 -4.003 12.884 -20.402 1.00 14.26 C ATOM 1498 CD LYS B 7 -3.212 13.496 -19.243 1.00 15.70 C ATOM 1499 CE LYS B 7 -2.808 14.923 -19.601 1.00 19.19 C ATOM 1500 NZ LYS B 7 -3.463 15.878 -18.663 1.00 25.43 N ATOM 0 H LYS B 7 -5.495 12.696 -17.517 1.00 11.63 H new ATOM 0 HA LYS B 7 -5.315 14.745 -19.381 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -5.564 11.778 -19.390 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -6.082 12.529 -20.886 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -3.561 11.930 -20.689 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -3.948 13.536 -21.273 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -3.816 13.494 -18.336 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -2.325 12.896 -19.037 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -1.725 15.029 -19.547 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -3.099 15.148 -20.627 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -4.226 16.383 -19.158 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -3.860 15.355 -17.857 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -2.761 16.563 -18.319 1.00 25.43 H new ATOM 1514 N PRO B 8 -7.472 14.754 -20.892 1.00 13.56 N ATOM 1515 CA PRO B 8 -8.755 15.155 -21.494 1.00 11.93 C ATOM 1516 C PRO B 8 -9.533 13.917 -21.928 1.00 10.20 C ATOM 1517 O PRO B 8 -10.748 13.900 -21.938 1.00 12.05 O ATOM 1518 CB PRO B 8 -8.340 16.005 -22.698 1.00 12.78 C ATOM 1519 CG PRO B 8 -6.891 15.588 -23.046 1.00 12.51 C ATOM 1520 CD PRO B 8 -6.302 14.949 -21.774 1.00 13.61 C ATOM 0 HA PRO B 8 -9.407 15.700 -20.811 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -9.007 15.834 -23.543 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -8.392 17.067 -22.460 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -6.879 14.882 -23.876 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -6.302 16.452 -23.354 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -5.808 14.003 -21.996 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -5.557 15.597 -21.311 1.00 13.61 H new ATOM 1528 N SER B 9 -8.835 12.875 -22.268 1.00 10.65 N ATOM 1529 CA SER B 9 -9.519 11.621 -22.683 1.00 10.83 C ATOM 1530 C SER B 9 -9.862 10.808 -21.432 1.00 10.94 C ATOM 1531 O SER B 9 -10.439 9.742 -21.510 1.00 13.16 O ATOM 1532 CB SER B 9 -8.594 10.807 -23.589 1.00 13.01 C ATOM 1533 OG SER B 9 -9.371 9.897 -24.357 1.00 15.52 O ATOM 0 H SER B 9 -7.816 12.836 -22.277 1.00 10.65 H new ATOM 0 HA SER B 9 -10.431 11.860 -23.230 1.00 10.83 H new ATOM 0 HB2 SER B 9 -8.034 11.471 -24.248 1.00 13.01 H new ATOM 0 HB3 SER B 9 -7.864 10.264 -22.989 1.00 13.01 H new ATOM 0 HG SER B 9 -10.024 9.453 -23.776 1.00 15.52 H new ATOM 1539 N GLN B 10 -9.510 11.309 -20.278 1.00 10.02 N ATOM 1540 CA GLN B 10 -9.813 10.577 -19.018 1.00 11.55 C ATOM 1541 C GLN B 10 -10.744 11.426 -18.152 1.00 13.72 C ATOM 1542 O GLN B 10 -10.631 11.446 -16.943 1.00 17.31 O ATOM 1543 CB GLN B 10 -8.516 10.321 -18.258 1.00 6.60 C ATOM 1544 CG GLN B 10 -7.426 9.932 -19.249 1.00 7.20 C ATOM 1545 CD GLN B 10 -7.851 8.681 -20.023 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -8.788 7.912 -19.539 1.00 13.01 O flip ATOM 1547 NE2 GLN B 10 -7.325 8.401 -21.082 1.00 4.80 N flip ATOM 0 H GLN B 10 -9.024 12.197 -20.155 1.00 10.02 H new ATOM 0 HA GLN B 10 -10.294 9.628 -19.254 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -8.221 11.213 -17.706 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -8.660 9.526 -17.526 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -7.241 10.754 -19.941 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -6.492 9.744 -18.720 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -6.593 9.001 -21.462 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -7.616 7.566 -21.591 1.00 4.80 H new ATOM 1556 N ALA B 11 -11.651 12.144 -18.758 1.00 15.28 N ATOM 1557 CA ALA B 11 -12.573 13.005 -17.961 1.00 18.95 C ATOM 1558 C ALA B 11 -13.939 12.330 -17.811 1.00 20.75 C ATOM 1559 O ALA B 11 -14.892 12.938 -17.367 1.00 24.78 O ATOM 1560 CB ALA B 11 -12.747 14.350 -18.667 1.00 17.72 C ATOM 0 H ALA B 11 -11.794 12.172 -19.768 1.00 15.28 H new ATOM 0 HA ALA B 11 -12.145 13.157 -16.970 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -13.420 14.981 -18.087 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -11.778 14.841 -18.758 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -13.167 14.188 -19.660 1.00 17.72 H new ATOM 1566 N GLN B 12 -14.044 11.083 -18.171 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.345 10.381 -18.044 1.00 25.43 C ATOM 1568 C GLN B 12 -15.087 8.956 -17.530 1.00 22.80 C ATOM 1569 O GLN B 12 -14.235 8.252 -18.035 1.00 20.93 O ATOM 1570 CB GLN B 12 -16.025 10.351 -19.420 1.00 30.18 C ATOM 1571 CG GLN B 12 -16.892 9.103 -19.548 1.00 42.11 C ATOM 1572 CD GLN B 12 -17.976 9.331 -20.603 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -19.050 8.769 -20.519 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -17.739 10.138 -21.601 1.00 47.90 N ATOM 0 H GLN B 12 -13.282 10.520 -18.548 1.00 22.50 H new ATOM 0 HA GLN B 12 -15.999 10.896 -17.340 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -16.637 11.243 -19.552 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -15.271 10.362 -20.207 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -16.276 8.248 -19.826 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -17.350 8.867 -18.588 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -16.838 10.610 -21.672 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -18.455 10.297 -22.310 1.00 47.90 H new ATOM 1583 N PHE B 13 -15.810 8.527 -16.529 1.00 21.61 N ATOM 1584 CA PHE B 13 -15.598 7.161 -15.989 1.00 20.51 C ATOM 1585 C PHE B 13 -16.419 6.152 -16.783 1.00 18.83 C ATOM 1586 O PHE B 13 -17.176 6.500 -17.668 1.00 18.83 O ATOM 1587 CB PHE B 13 -16.064 7.127 -14.540 1.00 19.56 C ATOM 1588 CG PHE B 13 -17.459 7.705 -14.470 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -18.565 6.906 -14.779 1.00 20.50 C ATOM 1590 CD2 PHE B 13 -17.644 9.045 -14.106 1.00 15.55 C ATOM 1591 CE1 PHE B 13 -19.855 7.446 -14.722 1.00 20.75 C ATOM 1592 CE2 PHE B 13 -18.933 9.585 -14.050 1.00 14.07 C ATOM 1593 CZ PHE B 13 -20.037 8.786 -14.358 1.00 18.48 C ATOM 0 H PHE B 13 -16.539 9.069 -16.064 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.540 6.908 -16.061 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -16.059 6.104 -14.165 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -15.384 7.701 -13.910 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -18.424 5.873 -15.061 1.00 20.50 H new ATOM 0 HD2 PHE B 13 -16.790 9.662 -13.868 1.00 15.55 H new ATOM 0 HE1 PHE B 13 -20.710 6.830 -14.959 1.00 20.75 H new ATOM 0 HE2 PHE B 13 -19.075 10.618 -13.769 1.00 14.07 H new ATOM 0 HZ PHE B 13 -21.033 9.203 -14.315 1.00 18.48 H new ATOM 1603 N THR B 14 -16.290 4.903 -16.448 1.00 14.89 N ATOM 1604 CA THR B 14 -17.074 3.854 -17.147 1.00 13.37 C ATOM 1605 C THR B 14 -17.729 2.963 -16.097 1.00 11.97 C ATOM 1606 O THR B 14 -17.338 2.959 -14.949 1.00 10.76 O ATOM 1607 CB THR B 14 -16.152 3.013 -18.031 1.00 13.68 C ATOM 1608 OG1 THR B 14 -16.923 2.047 -18.732 1.00 13.48 O ATOM 1609 CG2 THR B 14 -15.114 2.304 -17.158 1.00 9.24 C ATOM 0 H THR B 14 -15.670 4.561 -15.714 1.00 14.89 H new ATOM 0 HA THR B 14 -17.834 4.317 -17.777 1.00 13.37 H new ATOM 0 HB THR B 14 -15.643 3.660 -18.745 1.00 13.68 H new ATOM 0 HG1 THR B 14 -16.334 1.508 -19.300 1.00 13.48 H new ATOM 0 HG21 THR B 14 -14.457 1.705 -17.788 1.00 9.24 H new ATOM 0 HG22 THR B 14 -14.523 3.046 -16.620 1.00 9.24 H new ATOM 0 HG23 THR B 14 -15.621 1.656 -16.443 1.00 9.24 H new ATOM 1617 N THR B 15 -18.722 2.213 -16.471 1.00 13.20 N ATOM 1618 CA THR B 15 -19.394 1.335 -15.473 1.00 12.54 C ATOM 1619 C THR B 15 -19.081 -0.131 -15.772 1.00 14.34 C ATOM 1620 O THR B 15 -18.664 -0.482 -16.858 1.00 17.35 O ATOM 1621 CB THR B 15 -20.906 1.557 -15.533 1.00 11.88 C ATOM 1622 OG1 THR B 15 -21.528 0.868 -14.457 1.00 17.15 O ATOM 1623 CG2 THR B 15 -21.445 1.026 -16.860 1.00 8.30 C ATOM 0 H THR B 15 -19.098 2.168 -17.418 1.00 13.20 H new ATOM 0 HA THR B 15 -19.028 1.582 -14.477 1.00 12.54 H new ATOM 0 HB THR B 15 -21.122 2.622 -15.454 1.00 11.88 H new ATOM 0 HG1 THR B 15 -22.497 1.011 -14.493 1.00 17.15 H new ATOM 0 HG21 THR B 15 -22.523 1.184 -16.904 1.00 8.30 H new ATOM 0 HG22 THR B 15 -20.967 1.555 -17.685 1.00 8.30 H new ATOM 0 HG23 THR B 15 -21.231 -0.040 -16.939 1.00 8.30 H new ATOM 1631 N ARG B 16 -19.282 -0.988 -14.810 1.00 15.28 N ATOM 1632 CA ARG B 16 -19.003 -2.435 -15.022 1.00 15.21 C ATOM 1633 C ARG B 16 -19.390 -3.206 -13.759 1.00 16.91 C ATOM 1634 O ARG B 16 -19.262 -2.712 -12.656 1.00 17.29 O ATOM 1635 CB ARG B 16 -17.514 -2.636 -15.312 1.00 15.77 C ATOM 1636 CG ARG B 16 -17.322 -2.976 -16.792 1.00 21.61 C ATOM 1637 CD ARG B 16 -17.460 -4.486 -16.991 1.00 24.15 C ATOM 1638 NE ARG B 16 -17.855 -4.768 -18.400 1.00 30.82 N ATOM 1639 CZ ARG B 16 -17.743 -5.976 -18.884 1.00 29.13 C ATOM 1640 NH1 ARG B 16 -17.282 -6.943 -18.137 1.00 34.38 N ATOM 1641 NH2 ARG B 16 -18.091 -6.217 -20.118 1.00 25.71 N ATOM 0 H ARG B 16 -19.629 -0.747 -13.882 1.00 15.28 H new ATOM 0 HA ARG B 16 -19.583 -2.801 -15.869 1.00 15.21 H new ATOM 0 HB2 ARG B 16 -16.959 -1.732 -15.061 1.00 15.77 H new ATOM 0 HB3 ARG B 16 -17.117 -3.438 -14.689 1.00 15.77 H new ATOM 0 HG2 ARG B 16 -18.061 -2.450 -17.396 1.00 21.61 H new ATOM 0 HG3 ARG B 16 -16.340 -2.642 -17.128 1.00 21.61 H new ATOM 0 HD2 ARG B 16 -16.517 -4.982 -16.760 1.00 24.15 H new ATOM 0 HD3 ARG B 16 -18.207 -4.887 -16.306 1.00 24.15 H new ATOM 0 HE ARG B 16 -18.214 -4.016 -18.988 1.00 30.82 H new ATOM 0 HH11 ARG B 16 -17.008 -6.756 -17.172 1.00 34.38 H new ATOM 0 HH12 ARG B 16 -17.196 -7.885 -18.518 1.00 34.38 H new ATOM 0 HH21 ARG B 16 -18.450 -5.463 -20.703 1.00 25.71 H new ATOM 0 HH22 ARG B 16 -18.004 -7.160 -20.498 1.00 25.71 H new ATOM 1655 N SER B 17 -19.870 -4.409 -13.907 1.00 22.35 N ATOM 1656 CA SER B 17 -20.271 -5.201 -12.710 1.00 28.62 C ATOM 1657 C SER B 17 -19.053 -5.441 -11.817 1.00 31.32 C ATOM 1658 O SER B 17 -18.382 -6.448 -11.919 1.00 33.90 O ATOM 1659 CB SER B 17 -20.849 -6.546 -13.154 1.00 30.78 C ATOM 1660 OG SER B 17 -20.521 -7.538 -12.190 1.00 38.77 O ATOM 0 H SER B 17 -20.002 -4.878 -14.803 1.00 22.35 H new ATOM 0 HA SER B 17 -21.025 -4.647 -12.151 1.00 28.62 H new ATOM 0 HB2 SER B 17 -21.931 -6.472 -13.263 1.00 30.78 H new ATOM 0 HB3 SER B 17 -20.448 -6.823 -14.129 1.00 30.78 H new ATOM 0 HG SER B 17 -19.555 -7.702 -12.205 1.00 38.77 H new ATOM 1666 N GLY B 18 -18.771 -4.524 -10.935 1.00 32.28 N ATOM 1667 CA GLY B 18 -17.605 -4.694 -10.021 1.00 32.82 C ATOM 1668 C GLY B 18 -17.987 -5.654 -8.896 1.00 34.58 C ATOM 1669 O GLY B 18 -19.066 -6.211 -8.889 1.00 34.04 O ATOM 0 H GLY B 18 -19.299 -3.661 -10.806 1.00 32.28 H new ATOM 0 HA2 GLY B 18 -16.749 -5.083 -10.572 1.00 32.82 H new ATOM 0 HA3 GLY B 18 -17.307 -3.730 -9.608 1.00 32.82 H new ATOM 1673 N VAL B 19 -17.123 -5.846 -7.938 1.00 36.31 N ATOM 1674 CA VAL B 19 -17.457 -6.765 -6.813 1.00 38.94 C ATOM 1675 C VAL B 19 -16.749 -6.285 -5.547 1.00 39.44 C ATOM 1676 O VAL B 19 -15.537 -6.226 -5.485 1.00 39.08 O ATOM 1677 CB VAL B 19 -17.002 -8.187 -7.145 1.00 39.83 C ATOM 1678 CG1 VAL B 19 -17.917 -9.192 -6.439 1.00 41.87 C ATOM 1679 CG2 VAL B 19 -17.072 -8.410 -8.659 1.00 39.95 C ATOM 0 H VAL B 19 -16.203 -5.408 -7.885 1.00 36.31 H new ATOM 0 HA VAL B 19 -18.536 -6.766 -6.656 1.00 38.94 H new ATOM 0 HB VAL B 19 -15.975 -8.327 -6.806 1.00 39.83 H new ATOM 0 HG11 VAL B 19 -17.594 -10.206 -6.675 1.00 41.87 H new ATOM 0 HG12 VAL B 19 -17.866 -9.036 -5.361 1.00 41.87 H new ATOM 0 HG13 VAL B 19 -18.943 -9.050 -6.778 1.00 41.87 H new ATOM 0 HG21 VAL B 19 -16.747 -9.424 -8.893 1.00 39.95 H new ATOM 0 HG22 VAL B 19 -18.098 -8.270 -9.000 1.00 39.95 H new ATOM 0 HG23 VAL B 19 -16.421 -7.695 -9.163 1.00 39.95 H new ATOM 1689 N SER B 20 -17.498 -5.929 -4.541 1.00 41.09 N ATOM 1690 CA SER B 20 -16.872 -5.438 -3.281 1.00 44.70 C ATOM 1691 C SER B 20 -15.797 -6.427 -2.815 1.00 47.21 C ATOM 1692 O SER B 20 -14.664 -6.373 -3.250 1.00 47.07 O ATOM 1693 CB SER B 20 -17.945 -5.298 -2.200 1.00 44.37 C ATOM 1694 OG SER B 20 -18.967 -6.260 -2.425 1.00 46.57 O ATOM 0 H SER B 20 -18.518 -5.957 -4.537 1.00 41.09 H new ATOM 0 HA SER B 20 -16.410 -4.468 -3.462 1.00 44.70 H new ATOM 0 HB2 SER B 20 -17.505 -5.442 -1.213 1.00 44.37 H new ATOM 0 HB3 SER B 20 -18.366 -4.293 -2.217 1.00 44.37 H new ATOM 0 HG SER B 20 -19.655 -6.174 -1.733 1.00 46.57 H new ATOM 1700 N ARG B 21 -16.140 -7.327 -1.932 1.00 50.78 N ATOM 1701 CA ARG B 21 -15.132 -8.310 -1.442 1.00 55.55 C ATOM 1702 C ARG B 21 -15.596 -9.730 -1.772 1.00 55.58 C ATOM 1703 O ARG B 21 -15.645 -10.592 -0.918 1.00 54.47 O ATOM 1704 CB ARG B 21 -14.973 -8.163 0.072 1.00 59.49 C ATOM 1705 CG ARG B 21 -14.049 -9.262 0.601 1.00 60.53 C ATOM 1706 CD ARG B 21 -13.176 -8.698 1.724 1.00 64.36 C ATOM 1707 NE ARG B 21 -13.912 -8.786 3.018 1.00 68.68 N ATOM 1708 CZ ARG B 21 -13.274 -8.637 4.148 1.00 71.11 C ATOM 1709 NH1 ARG B 21 -11.988 -8.407 4.152 1.00 70.71 N ATOM 1710 NH2 ARG B 21 -13.924 -8.717 5.277 1.00 71.56 N ATOM 0 H ARG B 21 -17.073 -7.423 -1.530 1.00 50.78 H new ATOM 0 HA ARG B 21 -14.175 -8.121 -1.929 1.00 55.55 H new ATOM 0 HB2 ARG B 21 -14.562 -7.182 0.311 1.00 59.49 H new ATOM 0 HB3 ARG B 21 -15.947 -8.228 0.558 1.00 59.49 H new ATOM 0 HG2 ARG B 21 -14.639 -10.101 0.971 1.00 60.53 H new ATOM 0 HG3 ARG B 21 -13.422 -9.644 -0.205 1.00 60.53 H new ATOM 0 HD2 ARG B 21 -12.241 -9.255 1.787 1.00 64.36 H new ATOM 0 HD3 ARG B 21 -12.916 -7.661 1.511 1.00 64.36 H new ATOM 0 HE ARG B 21 -14.917 -8.963 3.021 1.00 68.68 H new ATOM 0 HH11 ARG B 21 -11.479 -8.343 3.271 1.00 70.71 H new ATOM 0 HH12 ARG B 21 -11.493 -8.291 5.036 1.00 70.71 H new ATOM 0 HH21 ARG B 21 -14.928 -8.896 5.276 1.00 71.56 H new ATOM 0 HH22 ARG B 21 -13.428 -8.601 6.161 1.00 71.56 H new ATOM 1724 N GLN B 22 -15.936 -9.980 -3.007 1.00 57.32 N ATOM 1725 CA GLN B 22 -16.395 -11.344 -3.394 1.00 58.73 C ATOM 1726 C GLN B 22 -17.743 -11.639 -2.734 1.00 58.18 C ATOM 1727 O GLN B 22 -18.196 -12.766 -2.700 1.00 59.52 O ATOM 1728 CB GLN B 22 -15.364 -12.378 -2.936 1.00 62.32 C ATOM 1729 CG GLN B 22 -13.969 -11.945 -3.391 1.00 65.12 C ATOM 1730 CD GLN B 22 -13.113 -13.183 -3.665 1.00 66.38 C ATOM 1731 OE1 GLN B 22 -12.480 -13.282 -4.697 1.00 66.60 O ATOM 1732 NE2 GLN B 22 -13.066 -14.138 -2.777 1.00 65.96 N ATOM 0 H GLN B 22 -15.916 -9.298 -3.765 1.00 57.32 H new ATOM 0 HA GLN B 22 -16.505 -11.395 -4.477 1.00 58.73 H new ATOM 0 HB2 GLN B 22 -15.390 -12.477 -1.851 1.00 62.32 H new ATOM 0 HB3 GLN B 22 -15.606 -13.357 -3.351 1.00 62.32 H new ATOM 0 HG2 GLN B 22 -14.042 -11.334 -4.291 1.00 65.12 H new ATOM 0 HG3 GLN B 22 -13.500 -11.328 -2.624 1.00 65.12 H new ATOM 0 HE21 GLN B 22 -13.597 -14.055 -1.910 1.00 65.96 H new ATOM 0 HE22 GLN B 22 -12.498 -14.967 -2.950 1.00 65.96 H new ATOM 1741 N GLY B 23 -18.389 -10.634 -2.214 1.00 55.49 N ATOM 1742 CA GLY B 23 -19.710 -10.852 -1.561 1.00 50.89 C ATOM 1743 C GLY B 23 -20.823 -10.539 -2.559 1.00 48.17 C ATOM 1744 O GLY B 23 -21.708 -11.339 -2.791 1.00 50.32 O ATOM 0 H GLY B 23 -18.059 -9.669 -2.213 1.00 55.49 H new ATOM 0 HA2 GLY B 23 -19.793 -11.883 -1.217 1.00 50.89 H new ATOM 0 HA3 GLY B 23 -19.804 -10.214 -0.682 1.00 50.89 H new ATOM 1748 N LYS B 24 -20.783 -9.380 -3.155 1.00 44.99 N ATOM 1749 CA LYS B 24 -21.834 -9.012 -4.144 1.00 42.22 C ATOM 1750 C LYS B 24 -21.221 -8.094 -5.206 1.00 42.41 C ATOM 1751 O LYS B 24 -20.316 -7.337 -4.917 1.00 42.26 O ATOM 1752 CB LYS B 24 -22.975 -8.282 -3.431 1.00 40.33 C ATOM 1753 CG LYS B 24 -23.551 -9.180 -2.334 1.00 40.86 C ATOM 1754 CD LYS B 24 -24.800 -8.525 -1.741 1.00 37.00 C ATOM 1755 CE LYS B 24 -24.536 -8.147 -0.282 1.00 36.58 C ATOM 1756 NZ LYS B 24 -25.058 -6.774 -0.022 1.00 34.22 N ATOM 0 H LYS B 24 -20.067 -8.671 -3.000 1.00 44.99 H new ATOM 0 HA LYS B 24 -22.225 -9.912 -4.618 1.00 42.22 H new ATOM 0 HB2 LYS B 24 -22.610 -7.350 -2.998 1.00 40.33 H new ATOM 0 HB3 LYS B 24 -23.754 -8.018 -4.146 1.00 40.33 H new ATOM 0 HG2 LYS B 24 -23.801 -10.159 -2.744 1.00 40.86 H new ATOM 0 HG3 LYS B 24 -22.807 -9.342 -1.554 1.00 40.86 H new ATOM 0 HD2 LYS B 24 -25.065 -7.637 -2.315 1.00 37.00 H new ATOM 0 HD3 LYS B 24 -25.646 -9.209 -1.803 1.00 37.00 H new ATOM 0 HE2 LYS B 24 -25.018 -8.863 0.383 1.00 36.58 H new ATOM 0 HE3 LYS B 24 -23.467 -8.187 -0.072 1.00 36.58 H new ATOM 0 HZ1 LYS B 24 -24.879 -6.516 0.970 1.00 34.22 H new ATOM 0 HZ2 LYS B 24 -24.578 -6.096 -0.648 1.00 34.22 H new ATOM 0 HZ3 LYS B 24 -26.081 -6.751 -0.206 1.00 34.22 H new ATOM 1770 N PRO B 25 -21.731 -8.191 -6.407 1.00 42.36 N ATOM 1771 CA PRO B 25 -21.249 -7.382 -7.538 1.00 40.32 C ATOM 1772 C PRO B 25 -21.798 -5.955 -7.455 1.00 36.91 C ATOM 1773 O PRO B 25 -22.952 -5.742 -7.143 1.00 36.63 O ATOM 1774 CB PRO B 25 -21.798 -8.109 -8.763 1.00 42.73 C ATOM 1775 CG PRO B 25 -23.000 -8.937 -8.270 1.00 43.71 C ATOM 1776 CD PRO B 25 -22.830 -9.112 -6.751 1.00 44.10 C ATOM 0 HA PRO B 25 -20.164 -7.284 -7.559 1.00 40.32 H new ATOM 0 HB2 PRO B 25 -22.104 -7.399 -9.532 1.00 42.73 H new ATOM 0 HB3 PRO B 25 -21.038 -8.752 -9.207 1.00 42.73 H new ATOM 0 HG2 PRO B 25 -23.938 -8.430 -8.498 1.00 43.71 H new ATOM 0 HG3 PRO B 25 -23.032 -9.906 -8.769 1.00 43.71 H new ATOM 0 HD2 PRO B 25 -23.745 -8.859 -6.215 1.00 44.10 H new ATOM 0 HD3 PRO B 25 -22.583 -10.142 -6.493 1.00 44.10 H new ATOM 1784 N TYR B 26 -20.980 -4.975 -7.734 1.00 32.09 N ATOM 1785 CA TYR B 26 -21.462 -3.568 -7.670 1.00 27.86 C ATOM 1786 C TYR B 26 -21.197 -2.866 -9.004 1.00 26.29 C ATOM 1787 O TYR B 26 -20.176 -3.061 -9.630 1.00 28.07 O ATOM 1788 CB TYR B 26 -20.744 -2.821 -6.536 1.00 23.99 C ATOM 1789 CG TYR B 26 -19.242 -2.806 -6.757 1.00 24.09 C ATOM 1790 CD1 TYR B 26 -18.693 -2.072 -7.810 1.00 24.63 C ATOM 1791 CD2 TYR B 26 -18.404 -3.511 -5.883 1.00 24.19 C ATOM 1792 CE1 TYR B 26 -17.305 -2.041 -7.995 1.00 24.84 C ATOM 1793 CE2 TYR B 26 -17.016 -3.481 -6.068 1.00 24.77 C ATOM 1794 CZ TYR B 26 -16.467 -2.747 -7.123 1.00 24.25 C ATOM 1795 OH TYR B 26 -15.099 -2.717 -7.305 1.00 29.25 O ATOM 0 H TYR B 26 -20.003 -5.089 -8.002 1.00 32.09 H new ATOM 0 HA TYR B 26 -22.534 -3.568 -7.474 1.00 27.86 H new ATOM 0 HB2 TYR B 26 -21.116 -1.798 -6.477 1.00 23.99 H new ATOM 0 HB3 TYR B 26 -20.970 -3.298 -5.582 1.00 23.99 H new ATOM 0 HD1 TYR B 26 -19.339 -1.528 -8.483 1.00 24.63 H new ATOM 0 HD2 TYR B 26 -18.828 -4.077 -5.067 1.00 24.19 H new ATOM 0 HE1 TYR B 26 -16.881 -1.473 -8.810 1.00 24.84 H new ATOM 0 HE2 TYR B 26 -16.370 -4.025 -5.395 1.00 24.77 H new ATOM 0 HH TYR B 26 -14.665 -3.258 -6.613 1.00 29.25 H new ATOM 1805 N SER B 27 -22.113 -2.045 -9.440 1.00 24.52 N ATOM 1806 CA SER B 27 -21.913 -1.320 -10.725 1.00 22.20 C ATOM 1807 C SER B 27 -21.298 0.045 -10.414 1.00 20.52 C ATOM 1808 O SER B 27 -21.968 1.059 -10.429 1.00 23.07 O ATOM 1809 CB SER B 27 -23.260 -1.130 -11.423 1.00 25.30 C ATOM 1810 OG SER B 27 -24.277 -1.766 -10.660 1.00 29.25 O ATOM 0 H SER B 27 -22.991 -1.845 -8.961 1.00 24.52 H new ATOM 0 HA SER B 27 -21.254 -1.890 -11.380 1.00 22.20 H new ATOM 0 HB2 SER B 27 -23.480 -0.068 -11.531 1.00 25.30 H new ATOM 0 HB3 SER B 27 -23.225 -1.552 -12.427 1.00 25.30 H new ATOM 0 HG SER B 27 -24.566 -1.169 -9.939 1.00 29.25 H new ATOM 1816 N LEU B 28 -20.031 0.073 -10.107 1.00 18.57 N ATOM 1817 CA LEU B 28 -19.370 1.362 -9.765 1.00 16.31 C ATOM 1818 C LEU B 28 -18.761 1.995 -11.020 1.00 14.21 C ATOM 1819 O LEU B 28 -18.513 1.332 -12.009 1.00 16.97 O ATOM 1820 CB LEU B 28 -18.273 1.096 -8.734 1.00 16.48 C ATOM 1821 CG LEU B 28 -18.752 1.523 -7.346 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -19.060 3.022 -7.347 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -20.016 0.741 -6.980 1.00 22.01 C ATOM 0 H LEU B 28 -19.423 -0.745 -10.078 1.00 18.57 H new ATOM 0 HA LEU B 28 -20.108 2.051 -9.353 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -18.014 0.037 -8.730 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -17.369 1.644 -9.001 1.00 16.48 H new ATOM 0 HG LEU B 28 -17.971 1.316 -6.614 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -19.401 3.324 -6.357 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -18.159 3.578 -7.606 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -19.839 3.233 -8.079 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -20.358 1.045 -5.991 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -20.796 0.947 -7.713 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -19.795 -0.326 -6.976 1.00 22.01 H new ATOM 1835 N ASN B 29 -18.519 3.278 -10.983 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.925 3.969 -12.165 1.00 9.77 C ATOM 1837 C ASN B 29 -16.430 4.186 -11.913 1.00 7.94 C ATOM 1838 O ASN B 29 -16.035 4.655 -10.868 1.00 10.52 O ATOM 1839 CB ASN B 29 -18.613 5.328 -12.402 1.00 14.73 C ATOM 1840 CG ASN B 29 -19.512 5.712 -11.216 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -20.233 4.890 -10.686 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -19.515 6.946 -10.788 1.00 12.89 N ATOM 0 H ASN B 29 -18.708 3.880 -10.182 1.00 11.64 H new ATOM 0 HA ASN B 29 -18.070 3.351 -13.051 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -17.858 6.099 -12.553 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -19.209 5.282 -13.313 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -20.120 7.215 -10.013 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -18.912 7.640 -11.229 1.00 12.89 H new ATOM 1849 N GLU B 30 -15.594 3.838 -12.856 1.00 8.58 N ATOM 1850 CA GLU B 30 -14.124 4.019 -12.658 1.00 13.16 C ATOM 1851 C GLU B 30 -13.593 5.072 -13.638 1.00 12.26 C ATOM 1852 O GLU B 30 -14.189 5.338 -14.662 1.00 10.58 O ATOM 1853 CB GLU B 30 -13.413 2.688 -12.911 1.00 14.93 C ATOM 1854 CG GLU B 30 -13.954 1.628 -11.950 1.00 27.13 C ATOM 1855 CD GLU B 30 -13.466 0.245 -12.385 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -12.747 0.174 -13.368 1.00 40.03 O ATOM 1857 OE2 GLU B 30 -13.822 -0.720 -11.729 1.00 38.01 O ATOM 0 H GLU B 30 -15.864 3.437 -13.754 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.936 4.351 -11.637 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -13.568 2.371 -13.942 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -12.338 2.806 -12.772 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -13.621 1.840 -10.934 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -15.044 1.654 -11.940 1.00 27.13 H new ATOM 1864 N GLN B 31 -12.471 5.670 -13.332 1.00 10.34 N ATOM 1865 CA GLN B 31 -11.896 6.704 -14.244 1.00 9.46 C ATOM 1866 C GLN B 31 -10.376 6.529 -14.310 1.00 10.09 C ATOM 1867 O GLN B 31 -9.836 5.538 -13.860 1.00 9.36 O ATOM 1868 CB GLN B 31 -12.229 8.101 -13.700 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.290 9.117 -14.846 1.00 10.62 C ATOM 1870 CD GLN B 31 -11.473 10.353 -14.464 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -10.469 10.246 -13.788 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -11.863 11.532 -14.868 1.00 12.39 N ATOM 0 H GLN B 31 -11.927 5.487 -12.489 1.00 10.34 H new ATOM 0 HA GLN B 31 -12.319 6.592 -15.242 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -13.184 8.076 -13.175 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.475 8.406 -12.975 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -11.897 8.675 -15.762 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.324 9.397 -15.046 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -12.706 11.624 -15.436 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -11.325 12.361 -14.616 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.683 7.486 -14.864 1.00 6.80 N ATOM 1882 CA LEU B 32 -8.198 7.378 -14.955 1.00 10.34 C ATOM 1883 C LEU B 32 -7.568 8.711 -14.535 1.00 9.02 C ATOM 1884 O LEU B 32 -8.259 9.669 -14.253 1.00 11.15 O ATOM 1885 CB LEU B 32 -7.796 7.050 -16.396 1.00 10.20 C ATOM 1886 CG LEU B 32 -8.006 5.557 -16.663 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -9.265 5.360 -17.511 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -6.793 5.000 -17.413 1.00 15.89 C ATOM 0 H LEU B 32 -10.081 8.339 -15.258 1.00 6.80 H new ATOM 0 HA LEU B 32 -7.847 6.585 -14.295 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -8.390 7.641 -17.093 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -6.752 7.316 -16.562 1.00 10.20 H new ATOM 0 HG LEU B 32 -8.123 5.031 -15.715 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -9.413 4.297 -17.700 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -10.129 5.758 -16.978 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -9.151 5.885 -18.459 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -6.940 3.937 -17.604 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -6.678 5.527 -18.360 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -5.896 5.139 -16.809 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.264 8.782 -14.487 1.00 9.68 N ATOM 1901 CA CYS B 33 -5.603 10.052 -14.082 1.00 8.10 C ATOM 1902 C CYS B 33 -4.105 9.923 -14.340 1.00 6.34 C ATOM 1903 O CYS B 33 -3.599 8.843 -14.565 1.00 8.02 O ATOM 1904 CB CYS B 33 -5.831 10.337 -12.588 1.00 8.88 C ATOM 1905 SG CYS B 33 -6.513 8.884 -11.744 1.00 13.84 S ATOM 0 H CYS B 33 -5.630 8.015 -14.711 1.00 9.68 H new ATOM 0 HA CYS B 33 -6.028 10.873 -14.660 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -4.889 10.624 -12.121 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -6.512 11.180 -12.475 1.00 8.88 H new ATOM 0 HG CYS B 33 -5.816 8.636 -10.675 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.387 11.008 -14.306 1.00 7.35 N ATOM 1912 CA TYR B 34 -1.923 10.929 -14.551 1.00 7.08 C ATOM 1913 C TYR B 34 -1.176 11.453 -13.329 1.00 7.71 C ATOM 1914 O TYR B 34 -1.132 12.641 -13.085 1.00 7.80 O ATOM 1915 CB TYR B 34 -1.557 11.796 -15.751 1.00 8.67 C ATOM 1916 CG TYR B 34 -1.739 11.024 -17.037 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -0.701 10.218 -17.523 1.00 12.44 C ATOM 1918 CD2 TYR B 34 -2.933 11.138 -17.754 1.00 13.61 C ATOM 1919 CE1 TYR B 34 -0.857 9.530 -18.726 1.00 16.38 C ATOM 1920 CE2 TYR B 34 -3.090 10.445 -18.957 1.00 17.22 C ATOM 1921 CZ TYR B 34 -2.049 9.645 -19.444 1.00 16.83 C ATOM 1922 OH TYR B 34 -2.203 8.966 -20.635 1.00 21.14 O ATOM 0 H TYR B 34 -3.749 11.943 -14.120 1.00 7.35 H new ATOM 0 HA TYR B 34 -1.649 9.892 -14.744 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.181 12.690 -15.765 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -0.523 12.130 -15.664 1.00 8.67 H new ATOM 0 HD1 TYR B 34 0.220 10.130 -16.966 1.00 12.44 H new ATOM 0 HD2 TYR B 34 -3.732 11.760 -17.379 1.00 13.61 H new ATOM 0 HE1 TYR B 34 -0.057 8.909 -19.102 1.00 16.38 H new ATOM 0 HE2 TYR B 34 -4.014 10.526 -19.511 1.00 17.22 H new ATOM 0 HH TYR B 34 -3.090 9.153 -21.006 1.00 21.14 H new ATOM 1932 N VAL B 35 -0.582 10.586 -12.561 1.00 9.44 N ATOM 1933 CA VAL B 35 0.164 11.060 -11.365 1.00 10.66 C ATOM 1934 C VAL B 35 1.655 11.127 -11.686 1.00 10.57 C ATOM 1935 O VAL B 35 2.305 10.117 -11.867 1.00 8.31 O ATOM 1936 CB VAL B 35 -0.061 10.103 -10.193 1.00 10.22 C ATOM 1937 CG1 VAL B 35 0.819 10.535 -9.017 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -1.532 10.149 -9.774 1.00 9.86 C ATOM 0 H VAL B 35 -0.580 9.577 -12.708 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.197 12.051 -11.092 1.00 10.66 H new ATOM 0 HB VAL B 35 0.198 9.087 -10.492 1.00 10.22 H new ATOM 0 HG11 VAL B 35 0.664 9.857 -8.178 1.00 7.97 H new ATOM 0 HG12 VAL B 35 1.867 10.507 -9.317 1.00 7.97 H new ATOM 0 HG13 VAL B 35 0.554 11.549 -8.718 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -1.694 9.467 -8.939 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -1.792 11.163 -9.471 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -2.159 9.849 -10.614 1.00 9.86 H new ATOM 1948 N ASP B 36 2.207 12.309 -11.757 1.00 8.58 N ATOM 1949 CA ASP B 36 3.649 12.427 -12.055 1.00 11.48 C ATOM 1950 C ASP B 36 4.419 11.539 -11.081 1.00 12.38 C ATOM 1951 O ASP B 36 5.470 11.021 -11.392 1.00 11.89 O ATOM 1952 CB ASP B 36 4.093 13.882 -11.888 1.00 16.17 C ATOM 1953 CG ASP B 36 3.456 14.470 -10.627 1.00 17.97 C ATOM 1954 OD1 ASP B 36 3.557 13.840 -9.587 1.00 15.67 O ATOM 1955 OD2 ASP B 36 2.880 15.541 -10.723 1.00 25.89 O ATOM 0 H ASP B 36 1.716 13.192 -11.620 1.00 8.58 H new ATOM 0 HA ASP B 36 3.845 12.114 -13.081 1.00 11.48 H new ATOM 0 HB2 ASP B 36 5.179 13.936 -11.818 1.00 16.17 H new ATOM 0 HB3 ASP B 36 3.801 14.465 -12.761 1.00 16.17 H new ATOM 1960 N LEU B 37 3.894 11.360 -9.898 1.00 13.17 N ATOM 1961 CA LEU B 37 4.587 10.509 -8.895 1.00 18.47 C ATOM 1962 C LEU B 37 6.069 10.868 -8.876 1.00 21.14 C ATOM 1963 O LEU B 37 6.924 10.019 -8.721 1.00 24.24 O ATOM 1964 CB LEU B 37 4.426 9.036 -9.267 1.00 15.81 C ATOM 1965 CG LEU B 37 4.921 8.170 -8.110 1.00 20.59 C ATOM 1966 CD1 LEU B 37 3.811 7.209 -7.682 1.00 14.72 C ATOM 1967 CD2 LEU B 37 6.146 7.371 -8.560 1.00 20.01 C ATOM 0 H LEU B 37 3.013 11.768 -9.585 1.00 13.17 H new ATOM 0 HA LEU B 37 4.152 10.679 -7.910 1.00 18.47 H new ATOM 0 HB2 LEU B 37 3.380 8.815 -9.482 1.00 15.81 H new ATOM 0 HB3 LEU B 37 4.991 8.813 -10.172 1.00 15.81 H new ATOM 0 HG LEU B 37 5.193 8.807 -7.268 1.00 20.59 H new ATOM 0 HD11 LEU B 37 4.163 6.591 -6.856 1.00 14.72 H new ATOM 0 HD12 LEU B 37 2.939 7.780 -7.362 1.00 14.72 H new ATOM 0 HD13 LEU B 37 3.538 6.571 -8.522 1.00 14.72 H new ATOM 0 HD21 LEU B 37 6.500 6.753 -7.735 1.00 20.01 H new ATOM 0 HD22 LEU B 37 5.875 6.733 -9.401 1.00 20.01 H new ATOM 0 HD23 LEU B 37 6.936 8.057 -8.864 1.00 20.01 H new ATOM 1979 N GLY B 38 6.379 12.122 -9.035 1.00 20.70 N ATOM 1980 CA GLY B 38 7.803 12.540 -9.031 1.00 23.91 C ATOM 1981 C GLY B 38 8.555 11.797 -10.143 1.00 26.50 C ATOM 1982 O GLY B 38 9.765 11.691 -10.125 1.00 31.02 O ATOM 0 H GLY B 38 5.705 12.876 -9.168 1.00 20.70 H new ATOM 0 HA2 GLY B 38 7.878 13.617 -9.183 1.00 23.91 H new ATOM 0 HA3 GLY B 38 8.255 12.322 -8.063 1.00 23.91 H new ATOM 1986 N ASN B 39 7.841 11.270 -11.105 1.00 27.64 N ATOM 1987 CA ASN B 39 8.498 10.520 -12.213 1.00 30.27 C ATOM 1988 C ASN B 39 8.799 11.454 -13.390 1.00 26.79 C ATOM 1989 O ASN B 39 8.888 11.025 -14.523 1.00 26.87 O ATOM 1990 CB ASN B 39 7.567 9.402 -12.694 1.00 35.62 C ATOM 1991 CG ASN B 39 7.367 8.372 -11.581 1.00 41.31 C ATOM 1992 OD1 ASN B 39 6.277 7.649 -11.567 1.00 43.23 O flip ATOM 1993 ND2 ASN B 39 8.209 8.221 -10.718 1.00 39.63 N flip ATOM 0 H ASN B 39 6.825 11.329 -11.169 1.00 27.64 H new ATOM 0 HA ASN B 39 9.433 10.100 -11.841 1.00 30.27 H new ATOM 0 HB2 ASN B 39 6.605 9.821 -12.990 1.00 35.62 H new ATOM 0 HB3 ASN B 39 7.990 8.920 -13.575 1.00 35.62 H new ATOM 0 HD21 ASN B 39 9.059 8.785 -10.730 1.00 39.63 H new ATOM 0 HD22 ASN B 39 8.066 7.530 -9.982 1.00 39.63 H new ATOM 2000 N GLU B 40 8.959 12.722 -13.137 1.00 25.15 N ATOM 2001 CA GLU B 40 9.256 13.673 -14.251 1.00 23.81 C ATOM 2002 C GLU B 40 8.344 13.374 -15.448 1.00 21.12 C ATOM 2003 O GLU B 40 8.672 13.667 -16.580 1.00 19.86 O ATOM 2004 CB GLU B 40 10.718 13.515 -14.677 1.00 27.22 C ATOM 2005 CG GLU B 40 11.613 14.342 -13.752 1.00 34.87 C ATOM 2006 CD GLU B 40 13.076 14.167 -14.165 1.00 38.97 C ATOM 2007 OE1 GLU B 40 13.314 13.917 -15.335 1.00 42.34 O ATOM 2008 OE2 GLU B 40 13.933 14.287 -13.305 1.00 39.54 O ATOM 0 H GLU B 40 8.898 13.143 -12.210 1.00 25.15 H new ATOM 0 HA GLU B 40 9.079 14.693 -13.909 1.00 23.81 H new ATOM 0 HB2 GLU B 40 11.008 12.465 -14.637 1.00 27.22 H new ATOM 0 HB3 GLU B 40 10.844 13.841 -15.709 1.00 27.22 H new ATOM 0 HG2 GLU B 40 11.333 15.394 -13.803 1.00 34.87 H new ATOM 0 HG3 GLU B 40 11.476 14.026 -12.718 1.00 34.87 H new ATOM 2015 N HIS B 41 7.201 12.795 -15.201 1.00 2.31 N ATOM 2016 CA HIS B 41 6.252 12.470 -16.308 1.00 1.95 C ATOM 2017 C HIS B 41 4.953 11.969 -15.683 1.00 1.22 C ATOM 2018 O HIS B 41 4.977 11.410 -14.607 1.00 0.47 O ATOM 2019 CB HIS B 41 6.848 11.373 -17.194 1.00 2.71 C ATOM 2020 CG HIS B 41 7.692 11.993 -18.271 1.00 1.31 C ATOM 2021 ND1 HIS B 41 9.077 11.951 -18.243 1.00 0.83 N ATOM 2022 CD2 HIS B 41 7.359 12.669 -19.416 1.00 2.60 C ATOM 2023 CE1 HIS B 41 9.523 12.586 -19.343 1.00 1.03 C ATOM 2024 NE2 HIS B 41 8.516 13.043 -20.093 1.00 2.86 N ATOM 0 H HIS B 41 6.879 12.530 -14.270 1.00 2.31 H new ATOM 0 HA HIS B 41 6.067 13.354 -16.919 1.00 1.95 H new ATOM 0 HB2 HIS B 41 7.451 10.694 -16.592 1.00 2.71 H new ATOM 0 HB3 HIS B 41 6.050 10.780 -17.641 1.00 2.71 H new ATOM 0 HD2 HIS B 41 6.352 12.879 -19.743 1.00 2.60 H new ATOM 0 HE1 HIS B 41 10.567 12.711 -19.589 1.00 1.03 H new ATOM 0 HE2 HIS B 41 8.581 13.556 -20.972 1.00 2.86 H new ATOM 2032 N PRO B 42 3.854 12.185 -16.357 1.00 15.11 N ATOM 2033 CA PRO B 42 2.539 11.767 -15.851 1.00 16.08 C ATOM 2034 C PRO B 42 2.355 10.264 -16.014 1.00 17.92 C ATOM 2035 O PRO B 42 2.659 9.695 -17.044 1.00 17.13 O ATOM 2036 CB PRO B 42 1.550 12.516 -16.737 1.00 16.41 C ATOM 2037 CG PRO B 42 2.304 12.851 -18.037 1.00 13.79 C ATOM 2038 CD PRO B 42 3.808 12.848 -17.679 1.00 16.28 C ATOM 0 HA PRO B 42 2.410 11.984 -14.791 1.00 16.08 H new ATOM 0 HB2 PRO B 42 0.672 11.904 -16.943 1.00 16.41 H new ATOM 0 HB3 PRO B 42 1.198 13.424 -16.246 1.00 16.41 H new ATOM 0 HG2 PRO B 42 2.087 12.116 -18.813 1.00 13.79 H new ATOM 0 HG3 PRO B 42 1.998 13.823 -18.424 1.00 13.79 H new ATOM 0 HD2 PRO B 42 4.395 12.305 -18.420 1.00 16.28 H new ATOM 0 HD3 PRO B 42 4.211 13.860 -17.633 1.00 16.28 H new ATOM 2046 N VAL B 43 1.843 9.620 -15.012 1.00 16.29 N ATOM 2047 CA VAL B 43 1.619 8.160 -15.115 1.00 14.28 C ATOM 2048 C VAL B 43 0.119 7.898 -15.126 1.00 9.00 C ATOM 2049 O VAL B 43 -0.578 8.170 -14.168 1.00 7.99 O ATOM 2050 CB VAL B 43 2.259 7.450 -13.925 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.716 7.895 -13.787 1.00 18.07 C ATOM 2052 CG2 VAL B 43 1.493 7.800 -12.648 1.00 20.57 C ATOM 0 H VAL B 43 1.569 10.042 -14.125 1.00 16.29 H new ATOM 0 HA VAL B 43 2.070 7.780 -16.032 1.00 14.28 H new ATOM 0 HB VAL B 43 2.224 6.372 -14.084 1.00 17.96 H new ATOM 0 HG11 VAL B 43 4.172 7.388 -12.937 1.00 18.07 H new ATOM 0 HG12 VAL B 43 4.261 7.642 -14.696 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.754 8.973 -13.629 1.00 18.07 H new ATOM 0 HG21 VAL B 43 1.951 7.293 -11.799 1.00 20.57 H new ATOM 0 HG22 VAL B 43 1.526 8.878 -12.488 1.00 20.57 H new ATOM 0 HG23 VAL B 43 0.456 7.479 -12.746 1.00 20.57 H new ATOM 2062 N LEU B 44 -0.388 7.382 -16.206 1.00 10.19 N ATOM 2063 CA LEU B 44 -1.844 7.116 -16.280 1.00 11.55 C ATOM 2064 C LEU B 44 -2.207 6.016 -15.286 1.00 10.61 C ATOM 2065 O LEU B 44 -1.895 4.858 -15.478 1.00 13.49 O ATOM 2066 CB LEU B 44 -2.211 6.686 -17.694 1.00 10.60 C ATOM 2067 CG LEU B 44 -3.686 6.305 -17.736 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -4.531 7.488 -17.257 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -4.077 5.945 -19.171 1.00 20.21 C ATOM 0 H LEU B 44 0.144 7.133 -17.040 1.00 10.19 H new ATOM 0 HA LEU B 44 -2.398 8.021 -16.030 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -2.012 7.496 -18.396 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -1.596 5.840 -18.001 1.00 10.60 H new ATOM 0 HG LEU B 44 -3.860 5.448 -17.086 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -5.586 7.217 -17.287 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.251 7.745 -16.236 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -4.358 8.345 -17.907 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -5.132 5.672 -19.203 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -3.904 6.803 -19.821 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -3.474 5.104 -19.512 1.00 20.21 H new ATOM 2081 N VAL B 45 -2.860 6.378 -14.221 1.00 10.81 N ATOM 2082 CA VAL B 45 -3.246 5.369 -13.198 1.00 9.29 C ATOM 2083 C VAL B 45 -4.766 5.218 -13.180 1.00 9.95 C ATOM 2084 O VAL B 45 -5.488 6.007 -13.758 1.00 9.36 O ATOM 2085 CB VAL B 45 -2.742 5.826 -11.830 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -3.557 5.168 -10.708 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -1.271 5.432 -11.685 1.00 10.20 C ATOM 0 H VAL B 45 -3.145 7.335 -14.013 1.00 10.81 H new ATOM 0 HA VAL B 45 -2.800 4.404 -13.439 1.00 9.29 H new ATOM 0 HB VAL B 45 -2.853 6.908 -11.754 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -3.184 5.505 -9.741 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -4.606 5.446 -10.809 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -3.461 4.084 -10.776 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -0.902 5.754 -10.711 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -1.174 4.350 -11.770 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -0.687 5.911 -12.471 1.00 10.20 H new ATOM 2097 N LYS B 46 -5.255 4.206 -12.523 1.00 10.76 N ATOM 2098 CA LYS B 46 -6.725 4.004 -12.472 1.00 12.81 C ATOM 2099 C LYS B 46 -7.308 4.714 -11.248 1.00 13.35 C ATOM 2100 O LYS B 46 -6.602 5.071 -10.327 1.00 12.90 O ATOM 2101 CB LYS B 46 -7.035 2.508 -12.394 1.00 17.04 C ATOM 2102 CG LYS B 46 -8.309 2.210 -13.186 1.00 26.60 C ATOM 2103 CD LYS B 46 -8.010 2.274 -14.686 1.00 33.77 C ATOM 2104 CE LYS B 46 -7.020 1.170 -15.058 1.00 34.48 C ATOM 2105 NZ LYS B 46 -7.361 -0.074 -14.312 1.00 36.74 N ATOM 0 H LYS B 46 -4.701 3.512 -12.021 1.00 10.76 H new ATOM 0 HA LYS B 46 -7.174 4.421 -13.373 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -6.201 1.931 -12.795 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -7.161 2.205 -11.354 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -8.690 1.223 -12.923 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -9.086 2.930 -12.929 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -8.932 2.158 -15.256 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -7.597 3.249 -14.944 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -7.053 0.984 -16.131 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -6.003 1.483 -14.820 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -6.920 -0.891 -14.780 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -7.008 -0.002 -13.336 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -8.393 -0.198 -14.298 1.00 36.74 H new ATOM 2119 N ILE B 47 -8.597 4.922 -11.235 1.00 13.96 N ATOM 2120 CA ILE B 47 -9.232 5.608 -10.079 1.00 16.93 C ATOM 2121 C ILE B 47 -10.677 5.120 -9.931 1.00 16.52 C ATOM 2122 O ILE B 47 -11.186 4.400 -10.767 1.00 17.67 O ATOM 2123 CB ILE B 47 -9.205 7.129 -10.313 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -9.211 7.860 -8.974 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -10.427 7.570 -11.121 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -7.938 8.693 -8.850 1.00 18.26 C ATOM 0 H ILE B 47 -9.238 4.645 -11.979 1.00 13.96 H new ATOM 0 HA ILE B 47 -8.685 5.379 -9.164 1.00 16.93 H new ATOM 0 HB ILE B 47 -8.299 7.373 -10.867 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -10.089 8.502 -8.901 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -9.272 7.143 -8.155 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -10.391 8.648 -11.276 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -10.427 7.064 -12.086 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -11.335 7.312 -10.577 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -7.938 9.217 -7.894 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -7.068 8.038 -8.905 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -7.898 9.419 -9.662 1.00 18.26 H new ATOM 2138 N THR B 48 -11.340 5.511 -8.881 1.00 16.86 N ATOM 2139 CA THR B 48 -12.749 5.075 -8.690 1.00 16.59 C ATOM 2140 C THR B 48 -13.678 6.275 -8.879 1.00 19.04 C ATOM 2141 O THR B 48 -13.295 7.410 -8.677 1.00 22.56 O ATOM 2142 CB THR B 48 -12.920 4.507 -7.279 1.00 16.30 C ATOM 2143 OG1 THR B 48 -11.651 4.121 -6.769 1.00 17.90 O ATOM 2144 CG2 THR B 48 -13.844 3.291 -7.329 1.00 16.02 C ATOM 0 H THR B 48 -10.967 6.113 -8.147 1.00 16.86 H new ATOM 0 HA THR B 48 -12.998 4.305 -9.420 1.00 16.59 H new ATOM 0 HB THR B 48 -13.356 5.266 -6.630 1.00 16.30 H new ATOM 0 HG1 THR B 48 -11.604 3.144 -6.714 1.00 17.90 H new ATOM 0 HG21 THR B 48 -13.967 2.886 -6.325 1.00 16.02 H new ATOM 0 HG22 THR B 48 -14.816 3.589 -7.721 1.00 16.02 H new ATOM 0 HG23 THR B 48 -13.409 2.530 -7.977 1.00 16.02 H new ATOM 2152 N LEU B 49 -14.897 6.032 -9.271 1.00 18.35 N ATOM 2153 CA LEU B 49 -15.855 7.152 -9.481 1.00 18.82 C ATOM 2154 C LEU B 49 -17.135 6.870 -8.690 1.00 20.06 C ATOM 2155 O LEU B 49 -17.967 6.082 -9.093 1.00 18.35 O ATOM 2156 CB LEU B 49 -16.182 7.268 -10.977 1.00 18.79 C ATOM 2157 CG LEU B 49 -15.935 8.697 -11.457 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -17.019 9.624 -10.899 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -14.559 9.169 -10.980 1.00 14.50 C ATOM 0 H LEU B 49 -15.272 5.102 -9.456 1.00 18.35 H new ATOM 0 HA LEU B 49 -15.414 8.088 -9.137 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -15.566 6.573 -11.547 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -17.221 6.991 -11.153 1.00 18.79 H new ATOM 0 HG LEU B 49 -15.967 8.721 -12.546 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -16.839 10.642 -11.243 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -17.997 9.291 -11.246 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -16.993 9.600 -9.810 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -14.385 10.189 -11.324 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -14.522 9.142 -9.891 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -13.789 8.513 -11.385 1.00 14.50 H new ATOM 2171 N ASP B 50 -17.291 7.503 -7.559 1.00 22.62 N ATOM 2172 CA ASP B 50 -18.507 7.271 -6.729 1.00 27.04 C ATOM 2173 C ASP B 50 -19.753 7.263 -7.618 1.00 27.73 C ATOM 2174 O ASP B 50 -19.844 7.997 -8.582 1.00 26.65 O ATOM 2175 CB ASP B 50 -18.633 8.386 -5.688 1.00 29.11 C ATOM 2176 CG ASP B 50 -19.100 7.792 -4.359 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -18.966 6.591 -4.191 1.00 30.76 O ATOM 2178 OD2 ASP B 50 -19.583 8.548 -3.532 1.00 33.99 O ATOM 0 H ASP B 50 -16.626 8.173 -7.173 1.00 22.62 H new ATOM 0 HA ASP B 50 -18.419 6.307 -6.227 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -17.674 8.887 -5.558 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -19.342 9.140 -6.031 1.00 29.11 H new ATOM 2183 N GLU B 51 -20.716 6.443 -7.295 1.00 31.16 N ATOM 2184 CA GLU B 51 -21.959 6.393 -8.115 1.00 34.22 C ATOM 2185 C GLU B 51 -22.675 7.741 -8.019 1.00 34.98 C ATOM 2186 O GLU B 51 -23.326 8.041 -7.037 1.00 34.19 O ATOM 2187 CB GLU B 51 -22.877 5.287 -7.589 1.00 38.24 C ATOM 2188 CG GLU B 51 -23.704 4.715 -8.742 1.00 46.84 C ATOM 2189 CD GLU B 51 -24.374 3.415 -8.295 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -25.340 3.493 -7.554 1.00 53.83 O ATOM 2191 OE2 GLU B 51 -23.910 2.362 -8.702 1.00 54.92 O ATOM 0 H GLU B 51 -20.695 5.806 -6.499 1.00 31.16 H new ATOM 0 HA GLU B 51 -21.705 6.184 -9.154 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -22.284 4.498 -7.127 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -23.536 5.684 -6.817 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -24.459 5.436 -9.055 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -23.064 4.529 -9.605 1.00 46.84 H new ATOM 2198 N GLY B 52 -22.553 8.559 -9.026 1.00 34.53 N ATOM 2199 CA GLY B 52 -23.217 9.891 -8.989 1.00 34.93 C ATOM 2200 C GLY B 52 -22.157 10.981 -9.136 1.00 36.10 C ATOM 2201 O GLY B 52 -22.429 12.070 -9.601 1.00 35.97 O ATOM 0 H GLY B 52 -22.022 8.363 -9.874 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -23.950 9.968 -9.792 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -23.758 10.016 -8.051 1.00 34.93 H new ATOM 2205 N GLN B 53 -20.945 10.692 -8.745 1.00 36.52 N ATOM 2206 CA GLN B 53 -19.861 11.705 -8.864 1.00 35.40 C ATOM 2207 C GLN B 53 -19.414 11.788 -10.326 1.00 31.02 C ATOM 2208 O GLN B 53 -19.389 10.790 -11.020 1.00 29.05 O ATOM 2209 CB GLN B 53 -18.676 11.287 -7.992 1.00 41.20 C ATOM 2210 CG GLN B 53 -18.694 12.082 -6.685 1.00 47.61 C ATOM 2211 CD GLN B 53 -17.706 11.461 -5.695 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -16.658 10.985 -6.083 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -17.998 11.445 -4.423 1.00 54.76 N ATOM 0 H GLN B 53 -20.660 9.797 -8.348 1.00 36.52 H new ATOM 0 HA GLN B 53 -20.227 12.677 -8.535 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -18.726 10.219 -7.780 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -17.741 11.463 -8.523 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -18.428 13.122 -6.876 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -19.698 12.082 -6.261 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -18.878 11.845 -4.097 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -17.346 11.033 -3.755 1.00 54.76 H new ATOM 2222 N PRO B 54 -19.073 12.976 -10.752 1.00 27.43 N ATOM 2223 CA PRO B 54 -18.621 13.223 -12.130 1.00 23.44 C ATOM 2224 C PRO B 54 -17.163 12.787 -12.303 1.00 20.14 C ATOM 2225 O PRO B 54 -16.305 13.142 -11.519 1.00 21.64 O ATOM 2226 CB PRO B 54 -18.763 14.737 -12.291 1.00 24.39 C ATOM 2227 CG PRO B 54 -18.741 15.327 -10.865 1.00 27.18 C ATOM 2228 CD PRO B 54 -19.108 14.183 -9.903 1.00 28.37 C ATOM 0 HA PRO B 54 -19.192 12.667 -12.873 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -17.949 15.142 -12.892 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -19.693 14.988 -12.802 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -17.756 15.729 -10.629 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -19.451 16.149 -10.776 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -18.398 14.112 -9.079 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -20.094 14.333 -9.463 1.00 28.37 H new ATOM 2236 N ALA B 55 -16.881 12.017 -13.322 1.00 17.21 N ATOM 2237 CA ALA B 55 -15.486 11.552 -13.555 1.00 15.58 C ATOM 2238 C ALA B 55 -14.501 12.682 -13.253 1.00 16.41 C ATOM 2239 O ALA B 55 -14.758 13.834 -13.543 1.00 13.65 O ATOM 2240 CB ALA B 55 -15.342 11.129 -15.015 1.00 13.98 C ATOM 0 H ALA B 55 -17.563 11.690 -14.006 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.270 10.709 -12.899 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -14.323 10.787 -15.196 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.040 10.320 -15.230 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -15.560 11.978 -15.663 1.00 13.98 H new ATOM 2246 N TYR B 56 -13.376 12.362 -12.673 1.00 15.93 N ATOM 2247 CA TYR B 56 -12.377 13.419 -12.355 1.00 14.61 C ATOM 2248 C TYR B 56 -12.256 14.365 -13.549 1.00 15.51 C ATOM 2249 O TYR B 56 -11.567 14.089 -14.509 1.00 17.19 O ATOM 2250 CB TYR B 56 -11.015 12.777 -12.056 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.126 11.938 -10.800 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -11.637 10.636 -10.875 1.00 12.42 C ATOM 2253 CD2 TYR B 56 -10.736 12.466 -9.564 1.00 7.14 C ATOM 2254 CE1 TYR B 56 -11.756 9.864 -9.716 1.00 11.47 C ATOM 2255 CE2 TYR B 56 -10.857 11.692 -8.404 1.00 7.90 C ATOM 2256 CZ TYR B 56 -11.366 10.391 -8.480 1.00 10.29 C ATOM 2257 OH TYR B 56 -11.485 9.629 -7.335 1.00 12.03 O ATOM 0 H TYR B 56 -13.107 11.415 -12.406 1.00 15.93 H new ATOM 0 HA TYR B 56 -12.701 13.978 -11.477 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -10.699 12.157 -12.895 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.256 13.549 -11.927 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -11.939 10.229 -11.829 1.00 12.42 H new ATOM 0 HD2 TYR B 56 -10.342 13.470 -9.505 1.00 7.14 H new ATOM 0 HE1 TYR B 56 -12.149 8.860 -9.775 1.00 11.47 H new ATOM 0 HE2 TYR B 56 -10.557 12.099 -7.450 1.00 7.90 H new ATOM 0 HH TYR B 56 -12.038 8.842 -7.522 1.00 12.03 H new ATOM 2267 N ALA B 57 -12.930 15.482 -13.495 1.00 13.38 N ATOM 2268 CA ALA B 57 -12.863 16.451 -14.624 1.00 14.95 C ATOM 2269 C ALA B 57 -11.413 16.592 -15.094 1.00 15.46 C ATOM 2270 O ALA B 57 -10.499 16.164 -14.418 1.00 17.82 O ATOM 2271 CB ALA B 57 -13.382 17.812 -14.155 1.00 14.98 C ATOM 0 H ALA B 57 -13.525 15.765 -12.716 1.00 13.38 H new ATOM 0 HA ALA B 57 -13.477 16.090 -15.450 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -13.334 18.523 -14.979 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -14.415 17.712 -13.821 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -12.767 18.171 -13.330 1.00 14.98 H new ATOM 2277 N PRO B 58 -11.250 17.192 -16.246 1.00 15.20 N ATOM 2278 CA PRO B 58 -9.923 17.412 -16.846 1.00 16.55 C ATOM 2279 C PRO B 58 -9.219 18.588 -16.163 1.00 16.75 C ATOM 2280 O PRO B 58 -9.638 19.723 -16.273 1.00 17.28 O ATOM 2281 CB PRO B 58 -10.241 17.738 -18.308 1.00 15.65 C ATOM 2282 CG PRO B 58 -11.705 18.239 -18.335 1.00 14.16 C ATOM 2283 CD PRO B 58 -12.374 17.707 -17.055 1.00 13.96 C ATOM 0 HA PRO B 58 -9.255 16.557 -16.742 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -9.563 18.500 -18.693 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -10.120 16.856 -18.938 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -11.742 19.328 -18.368 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -12.223 17.876 -19.223 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -12.914 18.495 -16.531 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -13.096 16.922 -17.280 1.00 13.96 H new ATOM 2291 N GLY B 59 -8.153 18.325 -15.457 1.00 17.22 N ATOM 2292 CA GLY B 59 -7.427 19.429 -14.768 1.00 15.08 C ATOM 2293 C GLY B 59 -6.305 18.848 -13.906 1.00 14.96 C ATOM 2294 O GLY B 59 -6.054 17.660 -13.920 1.00 13.79 O ATOM 0 H GLY B 59 -7.754 17.395 -15.328 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -7.014 20.120 -15.503 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -8.118 20.000 -14.147 1.00 15.08 H new ATOM 2298 N LEU B 60 -5.630 19.676 -13.153 1.00 15.83 N ATOM 2299 CA LEU B 60 -4.530 19.172 -12.285 1.00 14.53 C ATOM 2300 C LEU B 60 -5.136 18.477 -11.068 1.00 14.15 C ATOM 2301 O LEU B 60 -6.196 18.843 -10.601 1.00 13.27 O ATOM 2302 CB LEU B 60 -3.671 20.348 -11.821 1.00 15.84 C ATOM 2303 CG LEU B 60 -2.477 20.505 -12.759 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -2.928 21.187 -14.053 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -1.403 21.358 -12.078 1.00 15.01 C ATOM 0 H LEU B 60 -5.795 20.681 -13.103 1.00 15.83 H new ATOM 0 HA LEU B 60 -3.912 18.469 -12.843 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -4.263 21.263 -11.811 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -3.326 20.181 -10.801 1.00 15.84 H new ATOM 0 HG LEU B 60 -2.067 19.522 -12.993 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -2.075 21.299 -14.722 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -3.692 20.579 -14.538 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -3.339 22.170 -13.822 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -0.550 21.471 -12.747 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -1.813 22.340 -11.844 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -1.081 20.871 -11.158 1.00 15.01 H new ATOM 2317 N TYR B 61 -4.484 17.473 -10.550 1.00 11.12 N ATOM 2318 CA TYR B 61 -5.048 16.770 -9.373 1.00 9.57 C ATOM 2319 C TYR B 61 -3.973 16.459 -8.352 1.00 11.76 C ATOM 2320 O TYR B 61 -2.789 16.486 -8.624 1.00 11.26 O ATOM 2321 CB TYR B 61 -5.696 15.461 -9.810 1.00 9.42 C ATOM 2322 CG TYR B 61 -7.076 15.752 -10.319 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -7.242 16.426 -11.529 1.00 10.68 C ATOM 2324 CD2 TYR B 61 -8.188 15.365 -9.565 1.00 10.26 C ATOM 2325 CE1 TYR B 61 -8.526 16.715 -11.992 1.00 13.03 C ATOM 2326 CE2 TYR B 61 -9.472 15.654 -10.026 1.00 13.99 C ATOM 2327 CZ TYR B 61 -9.639 16.329 -11.237 1.00 11.06 C ATOM 2328 OH TYR B 61 -10.908 16.609 -11.696 1.00 14.61 O ATOM 0 H TYR B 61 -3.592 17.114 -10.890 1.00 11.12 H new ATOM 0 HA TYR B 61 -5.790 17.428 -8.920 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -5.099 14.986 -10.588 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -5.741 14.764 -8.973 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -6.379 16.723 -12.106 1.00 10.68 H new ATOM 0 HD2 TYR B 61 -8.053 14.844 -8.629 1.00 10.26 H new ATOM 0 HE1 TYR B 61 -8.660 17.234 -12.929 1.00 13.03 H new ATOM 0 HE2 TYR B 61 -10.335 15.357 -9.448 1.00 13.99 H new ATOM 0 HH TYR B 61 -10.897 16.666 -12.674 1.00 14.61 H new ATOM 2338 N THR B 62 -4.408 16.128 -7.181 1.00 12.22 N ATOM 2339 CA THR B 62 -3.484 15.761 -6.097 1.00 14.26 C ATOM 2340 C THR B 62 -4.185 14.692 -5.292 1.00 15.40 C ATOM 2341 O THR B 62 -5.272 14.895 -4.788 1.00 16.24 O ATOM 2342 CB THR B 62 -3.191 16.967 -5.217 1.00 15.07 C ATOM 2343 OG1 THR B 62 -4.370 17.341 -4.516 1.00 18.36 O ATOM 2344 CG2 THR B 62 -2.721 18.123 -6.094 1.00 11.61 C ATOM 0 H THR B 62 -5.395 16.097 -6.925 1.00 12.22 H new ATOM 0 HA THR B 62 -2.532 15.407 -6.493 1.00 14.26 H new ATOM 0 HB THR B 62 -2.412 16.718 -4.496 1.00 15.07 H new ATOM 0 HG1 THR B 62 -4.874 17.991 -5.048 1.00 18.36 H new ATOM 0 HG21 THR B 62 -2.509 18.991 -5.469 1.00 11.61 H new ATOM 0 HG22 THR B 62 -1.817 17.831 -6.628 1.00 11.61 H new ATOM 0 HG23 THR B 62 -3.501 18.375 -6.813 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.607 13.547 -5.191 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.293 12.479 -4.441 1.00 15.17 C ATOM 2354 C VAL B 63 -4.642 12.998 -3.055 1.00 14.24 C ATOM 2355 O VAL B 63 -4.149 14.018 -2.616 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.414 11.243 -4.345 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -4.302 10.037 -4.055 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.682 11.028 -5.676 1.00 18.64 C ATOM 0 H VAL B 63 -2.700 13.302 -5.589 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.207 12.196 -4.964 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.680 11.369 -3.549 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.686 9.141 -3.983 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -4.829 10.191 -3.114 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -5.026 9.916 -4.861 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -2.052 10.141 -5.606 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.411 10.893 -6.475 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -2.062 11.897 -5.895 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.500 12.312 -2.372 1.00 13.31 N ATOM 2369 CA HIS B 64 -5.904 12.767 -1.019 1.00 10.78 C ATOM 2370 C HIS B 64 -5.709 11.620 -0.031 1.00 14.19 C ATOM 2371 O HIS B 64 -6.157 10.510 -0.261 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.377 13.183 -1.043 1.00 11.86 C ATOM 2373 CG HIS B 64 -7.643 14.196 0.040 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -7.056 14.113 1.293 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -8.451 15.306 0.079 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -7.519 15.135 2.028 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -8.372 15.897 1.338 1.00 20.65 N ATOM 0 H HIS B 64 -5.943 11.451 -2.691 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.295 13.619 -0.715 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -7.629 13.604 -2.016 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -8.013 12.309 -0.900 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.055 15.666 -0.741 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.236 15.320 3.054 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -8.860 16.732 1.663 1.00 20.65 H new ATOM 2385 N LEU B 65 -5.049 11.873 1.068 1.00 12.93 N ATOM 2386 CA LEU B 65 -4.831 10.795 2.066 1.00 14.44 C ATOM 2387 C LEU B 65 -6.147 10.474 2.775 1.00 12.66 C ATOM 2388 O LEU B 65 -6.203 9.607 3.625 1.00 10.20 O ATOM 2389 CB LEU B 65 -3.781 11.231 3.089 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.376 12.255 4.035 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -4.102 11.827 5.480 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -3.745 13.622 3.776 1.00 19.03 C ATOM 0 H LEU B 65 -4.653 12.780 1.314 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.473 9.902 1.553 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -3.427 10.367 3.651 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -2.917 11.655 2.578 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.452 12.321 3.871 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -4.528 12.561 6.164 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -4.556 10.853 5.663 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -3.026 11.762 5.642 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -4.175 14.356 4.458 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -2.669 13.563 3.938 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -3.941 13.924 2.747 1.00 19.03 H new ATOM 2404 N SER B 66 -7.218 11.139 2.423 1.00 13.51 N ATOM 2405 CA SER B 66 -8.511 10.822 3.075 1.00 10.39 C ATOM 2406 C SER B 66 -8.747 9.324 2.908 1.00 8.56 C ATOM 2407 O SER B 66 -9.504 8.709 3.633 1.00 11.70 O ATOM 2408 CB SER B 66 -9.636 11.601 2.393 1.00 12.88 C ATOM 2409 OG SER B 66 -10.790 10.775 2.302 1.00 14.72 O ATOM 0 H SER B 66 -7.248 11.878 1.720 1.00 13.51 H new ATOM 0 HA SER B 66 -8.492 11.096 4.130 1.00 10.39 H new ATOM 0 HB2 SER B 66 -9.864 12.504 2.960 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.323 11.919 1.399 1.00 12.88 H new ATOM 0 HG SER B 66 -11.514 11.271 1.867 1.00 14.72 H new ATOM 2415 N SER B 67 -8.088 8.739 1.941 1.00 7.98 N ATOM 2416 CA SER B 67 -8.240 7.283 1.686 1.00 8.20 C ATOM 2417 C SER B 67 -7.124 6.505 2.396 1.00 11.02 C ATOM 2418 O SER B 67 -7.143 5.291 2.450 1.00 11.45 O ATOM 2419 CB SER B 67 -8.152 7.027 0.182 1.00 8.01 C ATOM 2420 OG SER B 67 -9.118 7.828 -0.485 1.00 11.22 O ATOM 0 H SER B 67 -7.444 9.218 1.312 1.00 7.98 H new ATOM 0 HA SER B 67 -9.206 6.951 2.067 1.00 8.20 H new ATOM 0 HB2 SER B 67 -7.152 7.264 -0.182 1.00 8.01 H new ATOM 0 HB3 SER B 67 -8.327 5.972 -0.030 1.00 8.01 H new ATOM 0 HG SER B 67 -9.544 7.304 -1.195 1.00 11.22 H new ATOM 2426 N PHE B 68 -6.142 7.190 2.923 1.00 10.09 N ATOM 2427 CA PHE B 68 -5.019 6.486 3.607 1.00 11.79 C ATOM 2428 C PHE B 68 -5.457 6.054 5.005 1.00 12.69 C ATOM 2429 O PHE B 68 -6.361 6.620 5.587 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.812 7.430 3.711 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.448 7.972 2.344 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -4.147 7.560 1.196 1.00 12.12 C ATOM 2433 CD2 PHE B 68 -2.434 8.931 2.234 1.00 10.16 C ATOM 2434 CE1 PHE B 68 -3.830 8.111 -0.048 1.00 10.35 C ATOM 2435 CE2 PHE B 68 -2.116 9.475 0.988 1.00 9.89 C ATOM 2436 CZ PHE B 68 -2.816 9.066 -0.151 1.00 11.87 C ATOM 0 H PHE B 68 -6.070 8.207 2.909 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.740 5.603 3.031 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -4.043 8.254 4.386 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -2.961 6.898 4.137 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -4.928 6.818 1.276 1.00 12.12 H new ATOM 0 HD2 PHE B 68 -1.897 9.251 3.115 1.00 10.16 H new ATOM 0 HE1 PHE B 68 -4.369 7.798 -0.930 1.00 10.35 H new ATOM 0 HE2 PHE B 68 -1.330 10.211 0.904 1.00 9.89 H new ATOM 0 HZ PHE B 68 -2.572 9.490 -1.114 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.823 5.053 5.546 1.00 12.51 N ATOM 2447 CA LYS B 69 -5.200 4.579 6.907 1.00 15.38 C ATOM 2448 C LYS B 69 -3.953 4.075 7.633 1.00 15.02 C ATOM 2449 O LYS B 69 -2.883 3.987 7.065 1.00 15.36 O ATOM 2450 CB LYS B 69 -6.216 3.441 6.791 1.00 16.04 C ATOM 2451 CG LYS B 69 -7.556 4.001 6.308 1.00 20.35 C ATOM 2452 CD LYS B 69 -8.701 3.256 6.998 1.00 21.35 C ATOM 2453 CE LYS B 69 -9.654 2.692 5.943 1.00 30.24 C ATOM 2454 NZ LYS B 69 -10.613 1.753 6.590 1.00 32.70 N ATOM 0 H LYS B 69 -4.059 4.541 5.105 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.641 5.403 7.468 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -5.853 2.685 6.095 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -6.341 2.951 7.757 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -7.617 5.067 6.528 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -7.638 3.894 5.226 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -8.304 2.449 7.614 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -9.238 3.931 7.665 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -10.195 3.503 5.456 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -9.090 2.175 5.167 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -11.261 1.370 5.873 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -10.088 0.973 7.035 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -11.160 2.260 7.315 1.00 32.70 H new ATOM 2468 N VAL B 70 -4.083 3.746 8.888 1.00 13.65 N ATOM 2469 CA VAL B 70 -2.904 3.250 9.654 1.00 13.49 C ATOM 2470 C VAL B 70 -3.095 1.767 9.976 1.00 11.85 C ATOM 2471 O VAL B 70 -3.950 1.395 10.756 1.00 12.13 O ATOM 2472 CB VAL B 70 -2.753 4.036 10.959 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -1.269 4.284 11.234 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -3.483 5.381 10.853 1.00 15.63 C ATOM 0 H VAL B 70 -4.954 3.799 9.417 1.00 13.65 H new ATOM 0 HA VAL B 70 -2.006 3.386 9.051 1.00 13.49 H new ATOM 0 HB VAL B 70 -3.188 3.458 11.774 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -1.160 4.844 12.163 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -0.751 3.329 11.322 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.837 4.856 10.413 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -3.369 5.931 11.787 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -3.058 5.962 10.035 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -4.542 5.206 10.662 1.00 15.63 H new ATOM 2484 N GLY B 71 -2.305 0.917 9.381 1.00 11.15 N ATOM 2485 CA GLY B 71 -2.439 -0.543 9.652 1.00 11.07 C ATOM 2486 C GLY B 71 -1.781 -0.874 10.993 1.00 12.15 C ATOM 2487 O GLY B 71 -1.299 -0.003 11.689 1.00 12.70 O ATOM 0 H GLY B 71 -1.572 1.170 8.718 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -3.492 -0.825 9.672 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -1.970 -1.117 8.853 1.00 11.07 H new ATOM 2491 N GLN B 72 -1.759 -2.125 11.365 1.00 15.78 N ATOM 2492 CA GLN B 72 -1.135 -2.503 12.661 1.00 19.42 C ATOM 2493 C GLN B 72 0.348 -2.806 12.446 1.00 16.97 C ATOM 2494 O GLN B 72 0.897 -3.717 13.033 1.00 20.46 O ATOM 2495 CB GLN B 72 -1.834 -3.741 13.225 1.00 22.64 C ATOM 2496 CG GLN B 72 -1.897 -3.642 14.750 1.00 25.29 C ATOM 2497 CD GLN B 72 -0.484 -3.473 15.311 1.00 26.29 C ATOM 2498 OE1 GLN B 72 0.011 -2.273 15.448 1.00 26.22 O flip ATOM 2499 NE2 GLN B 72 0.177 -4.443 15.627 1.00 25.15 N flip ATOM 0 H GLN B 72 -2.146 -2.900 10.827 1.00 15.78 H new ATOM 0 HA GLN B 72 -1.237 -1.678 13.366 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -2.840 -3.823 12.814 1.00 22.64 H new ATOM 0 HB3 GLN B 72 -1.295 -4.642 12.931 1.00 22.64 H new ATOM 0 HG2 GLN B 72 -2.520 -2.797 15.044 1.00 25.29 H new ATOM 0 HG3 GLN B 72 -2.359 -4.538 15.164 1.00 25.29 H new ATOM 0 HE21 GLN B 72 -0.210 -5.381 15.520 1.00 25.15 H new ATOM 0 HE22 GLN B 72 1.119 -4.319 15.999 1.00 25.15 H new ATOM 2508 N PHE B 73 1.002 -2.047 11.611 1.00 14.56 N ATOM 2509 CA PHE B 73 2.451 -2.292 11.360 1.00 14.60 C ATOM 2510 C PHE B 73 3.214 -0.970 11.429 1.00 15.63 C ATOM 2511 O PHE B 73 4.271 -0.820 10.848 1.00 17.80 O ATOM 2512 CB PHE B 73 2.631 -2.915 9.977 1.00 12.63 C ATOM 2513 CG PHE B 73 2.877 -4.394 10.126 1.00 14.99 C ATOM 2514 CD1 PHE B 73 4.036 -4.850 10.765 1.00 19.79 C ATOM 2515 CD2 PHE B 73 1.945 -5.313 9.627 1.00 16.27 C ATOM 2516 CE1 PHE B 73 4.265 -6.224 10.905 1.00 18.68 C ATOM 2517 CE2 PHE B 73 2.174 -6.687 9.767 1.00 20.44 C ATOM 2518 CZ PHE B 73 3.333 -7.142 10.406 1.00 17.88 C ATOM 0 H PHE B 73 0.597 -1.268 11.092 1.00 14.56 H new ATOM 0 HA PHE B 73 2.839 -2.973 12.118 1.00 14.60 H new ATOM 0 HB2 PHE B 73 1.743 -2.742 9.369 1.00 12.63 H new ATOM 0 HB3 PHE B 73 3.468 -2.446 9.460 1.00 12.63 H new ATOM 0 HD1 PHE B 73 4.754 -4.141 11.150 1.00 19.79 H new ATOM 0 HD2 PHE B 73 1.050 -4.962 9.135 1.00 16.27 H new ATOM 0 HE1 PHE B 73 5.160 -6.575 11.397 1.00 18.68 H new ATOM 0 HE2 PHE B 73 1.456 -7.396 9.382 1.00 20.44 H new ATOM 0 HZ PHE B 73 3.509 -8.202 10.514 1.00 17.88 H new ATOM 2528 N GLY B 74 2.687 -0.010 12.135 1.00 13.82 N ATOM 2529 CA GLY B 74 3.380 1.304 12.244 1.00 13.44 C ATOM 2530 C GLY B 74 3.759 1.799 10.848 1.00 10.42 C ATOM 2531 O GLY B 74 4.916 2.022 10.550 1.00 13.62 O ATOM 0 H GLY B 74 1.805 -0.078 12.642 1.00 13.82 H new ATOM 0 HA2 GLY B 74 2.731 2.029 12.735 1.00 13.44 H new ATOM 0 HA3 GLY B 74 4.273 1.206 12.861 1.00 13.44 H new ATOM 2535 N SER B 75 2.793 1.973 9.989 1.00 12.64 N ATOM 2536 CA SER B 75 3.101 2.454 8.612 1.00 12.47 C ATOM 2537 C SER B 75 1.807 2.870 7.910 1.00 12.47 C ATOM 2538 O SER B 75 0.830 2.148 7.912 1.00 11.32 O ATOM 2539 CB SER B 75 3.770 1.331 7.819 1.00 11.21 C ATOM 2540 OG SER B 75 3.628 0.107 8.529 1.00 18.27 O ATOM 0 H SER B 75 1.805 1.803 10.180 1.00 12.64 H new ATOM 0 HA SER B 75 3.772 3.311 8.671 1.00 12.47 H new ATOM 0 HB2 SER B 75 3.316 1.247 6.832 1.00 11.21 H new ATOM 0 HB3 SER B 75 4.826 1.556 7.667 1.00 11.21 H new ATOM 0 HG SER B 75 4.325 0.044 9.215 1.00 18.27 H new ATOM 2546 N LEU B 76 1.794 4.026 7.304 1.00 12.43 N ATOM 2547 CA LEU B 76 0.565 4.481 6.596 1.00 12.18 C ATOM 2548 C LEU B 76 0.351 3.614 5.355 1.00 12.07 C ATOM 2549 O LEU B 76 1.284 3.066 4.802 1.00 9.82 O ATOM 2550 CB LEU B 76 0.727 5.944 6.177 1.00 11.99 C ATOM 2551 CG LEU B 76 -0.535 6.725 6.548 1.00 8.87 C ATOM 2552 CD1 LEU B 76 -0.560 6.971 8.059 1.00 9.28 C ATOM 2553 CD2 LEU B 76 -0.537 8.067 5.811 1.00 7.80 C ATOM 0 H LEU B 76 2.581 4.674 7.269 1.00 12.43 H new ATOM 0 HA LEU B 76 -0.295 4.390 7.259 1.00 12.18 H new ATOM 0 HB2 LEU B 76 1.595 6.380 6.670 1.00 11.99 H new ATOM 0 HB3 LEU B 76 0.905 6.008 5.103 1.00 11.99 H new ATOM 0 HG LEU B 76 -1.416 6.150 6.261 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -1.460 7.528 8.322 1.00 9.28 H new ATOM 0 HD12 LEU B 76 -0.558 6.015 8.583 1.00 9.28 H new ATOM 0 HD13 LEU B 76 0.320 7.546 8.349 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -1.436 8.625 6.074 1.00 7.80 H new ATOM 0 HD22 LEU B 76 0.344 8.641 6.098 1.00 7.80 H new ATOM 0 HD23 LEU B 76 -0.521 7.891 4.735 1.00 7.80 H new ATOM 2565 N MET B 77 -0.869 3.481 4.910 1.00 14.08 N ATOM 2566 CA MET B 77 -1.132 2.644 3.705 1.00 14.12 C ATOM 2567 C MET B 77 -2.417 3.116 3.024 1.00 11.37 C ATOM 2568 O MET B 77 -3.477 3.134 3.617 1.00 11.44 O ATOM 2569 CB MET B 77 -1.289 1.181 4.122 1.00 16.48 C ATOM 2570 CG MET B 77 0.036 0.663 4.685 1.00 24.75 C ATOM 2571 SD MET B 77 1.301 0.709 3.391 1.00 35.11 S ATOM 2572 CE MET B 77 1.791 -1.031 3.490 1.00 33.86 C ATOM 0 H MET B 77 -1.693 3.914 5.327 1.00 14.08 H new ATOM 0 HA MET B 77 -0.296 2.738 3.012 1.00 14.12 H new ATOM 0 HB2 MET B 77 -2.075 1.088 4.871 1.00 16.48 H new ATOM 0 HB3 MET B 77 -1.592 0.579 3.266 1.00 16.48 H new ATOM 0 HG2 MET B 77 0.346 1.273 5.533 1.00 24.75 H new ATOM 0 HG3 MET B 77 -0.086 -0.356 5.053 1.00 24.75 H new ATOM 0 HE1 MET B 77 2.578 -1.229 2.762 1.00 33.86 H new ATOM 0 HE2 MET B 77 2.160 -1.249 4.492 1.00 33.86 H new ATOM 0 HE3 MET B 77 0.930 -1.664 3.275 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.329 3.498 1.781 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.544 3.969 1.059 1.00 11.62 C ATOM 2584 C ILE B 78 -4.617 2.876 1.080 1.00 11.45 C ATOM 2585 O ILE B 78 -4.329 1.703 0.949 1.00 12.59 O ATOM 2586 CB ILE B 78 -3.191 4.278 -0.392 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -2.323 5.536 -0.458 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -4.472 4.495 -1.199 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -0.976 5.192 -1.097 1.00 13.67 C ATOM 0 H ILE B 78 -1.468 3.505 1.233 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.920 4.866 1.551 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.638 3.438 -0.812 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.827 6.308 -1.039 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -2.171 5.939 0.543 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -4.216 4.716 -2.235 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -5.084 3.594 -1.160 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -5.030 5.331 -0.777 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.357 6.088 -1.145 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.472 4.434 -0.498 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.138 4.809 -2.105 1.00 13.67 H new ATOM 2601 N ASP B 79 -5.852 3.261 1.222 1.00 10.05 N ATOM 2602 CA ASP B 79 -6.962 2.262 1.229 1.00 14.79 C ATOM 2603 C ASP B 79 -7.868 2.513 0.015 1.00 15.20 C ATOM 2604 O ASP B 79 -8.809 1.788 -0.233 1.00 18.10 O ATOM 2605 CB ASP B 79 -7.776 2.410 2.516 1.00 12.21 C ATOM 2606 CG ASP B 79 -8.218 1.029 3.004 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -9.244 0.559 2.541 1.00 24.06 O ATOM 2608 OD2 ASP B 79 -7.522 0.465 3.833 1.00 21.87 O ATOM 0 H ASP B 79 -6.146 4.231 1.335 1.00 10.05 H new ATOM 0 HA ASP B 79 -6.551 1.254 1.179 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -7.178 2.904 3.282 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -8.647 3.040 2.337 1.00 12.21 H new ATOM 2613 N ARG B 80 -7.575 3.543 -0.737 1.00 17.08 N ATOM 2614 CA ARG B 80 -8.377 3.891 -1.945 1.00 17.14 C ATOM 2615 C ARG B 80 -8.160 5.375 -2.209 1.00 14.98 C ATOM 2616 O ARG B 80 -9.061 6.185 -2.126 1.00 16.47 O ATOM 2617 CB ARG B 80 -9.864 3.608 -1.713 1.00 17.78 C ATOM 2618 CG ARG B 80 -10.686 4.255 -2.830 1.00 22.76 C ATOM 2619 CD ARG B 80 -11.667 3.229 -3.400 1.00 28.43 C ATOM 2620 NE ARG B 80 -13.060 3.621 -3.046 1.00 33.10 N ATOM 2621 CZ ARG B 80 -14.073 3.073 -3.663 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -13.870 2.179 -4.593 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -15.292 3.419 -3.349 1.00 35.04 N ATOM 0 H ARG B 80 -6.793 4.172 -0.558 1.00 17.08 H new ATOM 0 HA ARG B 80 -8.063 3.289 -2.798 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -10.042 2.533 -1.692 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -10.173 4.001 -0.745 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -11.229 5.118 -2.444 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -10.026 4.620 -3.617 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -11.559 3.170 -4.483 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -11.445 2.238 -3.003 1.00 28.43 H new ATOM 0 HE ARG B 80 -13.223 4.319 -2.320 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -12.918 1.907 -4.840 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -14.663 1.753 -5.073 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -15.453 4.117 -2.623 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -16.083 2.992 -3.830 1.00 35.04 H new ATOM 2637 N LEU B 81 -6.938 5.709 -2.491 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.530 7.119 -2.738 1.00 11.27 C ATOM 2639 C LEU B 81 -7.686 7.968 -3.292 1.00 15.61 C ATOM 2640 O LEU B 81 -8.229 7.696 -4.343 1.00 18.56 O ATOM 2641 CB LEU B 81 -5.338 7.104 -3.701 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.803 7.289 -5.142 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.579 7.381 -6.056 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -6.657 6.083 -5.553 1.00 18.72 C ATOM 0 H LEU B 81 -6.174 5.038 -2.564 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.245 7.584 -1.794 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.640 7.898 -3.435 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.800 6.161 -3.606 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.393 8.202 -5.228 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -4.905 7.513 -7.088 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -3.965 8.231 -5.757 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -3.994 6.465 -5.975 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -6.993 6.209 -6.582 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -6.063 5.173 -5.474 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -7.523 6.009 -4.895 1.00 18.72 H new ATOM 2656 N ARG B 82 -8.049 9.009 -2.586 1.00 13.37 N ATOM 2657 CA ARG B 82 -9.148 9.896 -3.063 1.00 12.72 C ATOM 2658 C ARG B 82 -8.537 11.035 -3.886 1.00 13.33 C ATOM 2659 O ARG B 82 -7.981 11.972 -3.350 1.00 13.27 O ATOM 2660 CB ARG B 82 -9.898 10.477 -1.862 1.00 13.85 C ATOM 2661 CG ARG B 82 -11.237 9.756 -1.697 1.00 16.22 C ATOM 2662 CD ARG B 82 -12.261 10.353 -2.662 1.00 16.62 C ATOM 2663 NE ARG B 82 -13.286 11.126 -1.892 1.00 15.85 N ATOM 2664 CZ ARG B 82 -13.881 10.610 -0.847 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -13.743 9.343 -0.556 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -14.667 11.355 -0.119 1.00 16.89 N ATOM 0 H ARG B 82 -7.629 9.282 -1.697 1.00 13.37 H new ATOM 0 HA ARG B 82 -9.846 9.326 -3.676 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -9.299 10.366 -0.958 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -10.063 11.545 -2.005 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -11.115 8.691 -1.893 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -11.590 9.853 -0.670 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -11.763 11.005 -3.379 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -12.743 9.560 -3.233 1.00 16.62 H new ATOM 0 HE ARG B 82 -13.525 12.073 -2.187 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -13.166 8.744 -1.146 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -14.212 8.953 0.262 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -14.815 12.334 -0.366 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -15.134 10.959 0.697 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.617 10.946 -5.185 1.00 13.53 N ATOM 2681 CA LEU B 83 -8.017 12.007 -6.049 1.00 13.86 C ATOM 2682 C LEU B 83 -8.806 13.312 -5.956 1.00 13.02 C ATOM 2683 O LEU B 83 -10.015 13.323 -5.834 1.00 14.40 O ATOM 2684 CB LEU B 83 -8.021 11.553 -7.508 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.598 11.566 -8.067 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -6.656 11.448 -9.594 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -5.917 12.882 -7.688 1.00 10.58 C ATOM 0 H LEU B 83 -9.072 10.184 -5.688 1.00 13.53 H new ATOM 0 HA LEU B 83 -6.998 12.176 -5.700 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -8.440 10.550 -7.583 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.658 12.210 -8.100 1.00 9.93 H new ATOM 0 HG LEU B 83 -6.033 10.730 -7.654 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -5.644 11.457 -9.998 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -7.148 10.515 -9.868 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -7.217 12.288 -10.003 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -4.902 12.894 -8.085 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -6.480 13.717 -8.106 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -5.883 12.975 -6.602 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.113 14.412 -6.035 1.00 11.81 N ATOM 2700 CA VAL B 84 -8.771 15.736 -5.982 1.00 12.86 C ATOM 2701 C VAL B 84 -7.976 16.693 -6.877 1.00 14.98 C ATOM 2702 O VAL B 84 -6.784 16.529 -7.034 1.00 13.59 O ATOM 2703 CB VAL B 84 -8.749 16.236 -4.540 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -9.539 15.273 -3.651 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -7.301 16.314 -4.049 1.00 17.34 C ATOM 0 H VAL B 84 -7.099 14.445 -6.136 1.00 11.81 H new ATOM 0 HA VAL B 84 -9.804 15.676 -6.325 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.203 17.226 -4.493 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -9.522 15.631 -2.622 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -10.570 15.219 -4.000 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -9.088 14.282 -3.697 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -7.285 16.671 -3.019 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -6.847 15.324 -4.097 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -6.739 17.002 -4.681 1.00 17.34 H new ATOM 2715 N PRO B 85 -8.644 17.670 -7.429 1.00 18.65 N ATOM 2716 CA PRO B 85 -7.998 18.670 -8.298 1.00 22.41 C ATOM 2717 C PRO B 85 -6.947 19.464 -7.511 1.00 25.70 C ATOM 2718 O PRO B 85 -7.095 19.706 -6.330 1.00 22.08 O ATOM 2719 CB PRO B 85 -9.159 19.537 -8.787 1.00 21.19 C ATOM 2720 CG PRO B 85 -10.304 19.303 -7.790 1.00 18.95 C ATOM 2721 CD PRO B 85 -10.083 17.889 -7.227 1.00 20.63 C ATOM 0 HA PRO B 85 -7.450 18.236 -9.135 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -8.876 20.589 -8.817 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -9.457 19.258 -9.798 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -10.289 20.048 -6.994 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -11.274 19.382 -8.282 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.356 17.828 -6.174 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -10.682 17.147 -7.755 1.00 20.63 H new ATOM 2729 N ALA B 86 -5.873 19.848 -8.153 1.00 31.74 N ATOM 2730 CA ALA B 86 -4.799 20.600 -7.439 1.00 39.94 C ATOM 2731 C ALA B 86 -5.206 22.068 -7.291 1.00 46.96 C ATOM 2732 O ALA B 86 -5.339 22.786 -8.261 1.00 49.29 O ATOM 2733 CB ALA B 86 -3.499 20.509 -8.244 1.00 39.70 C ATOM 0 H ALA B 86 -5.694 19.673 -9.142 1.00 31.74 H new ATOM 0 HA ALA B 86 -4.650 20.168 -6.449 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -2.711 21.057 -7.726 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -3.207 19.464 -8.346 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -3.652 20.941 -9.233 1.00 39.70 H new ATOM 2739 N LYS B 87 -5.401 22.519 -6.082 1.00 51.78 N ATOM 2740 CA LYS B 87 -5.795 23.941 -5.871 1.00 55.12 C ATOM 2741 C LYS B 87 -4.721 24.650 -5.044 1.00 55.82 C ATOM 2742 O LYS B 87 -5.085 25.414 -4.165 1.00 58.05 O ATOM 2743 CB LYS B 87 -7.131 23.998 -5.126 1.00 52.96 C ATOM 2744 CG LYS B 87 -7.026 23.208 -3.820 1.00 55.49 C ATOM 2745 CD LYS B 87 -7.995 22.025 -3.860 1.00 56.64 C ATOM 2746 CE LYS B 87 -9.353 22.457 -3.303 1.00 58.91 C ATOM 2747 NZ LYS B 87 -9.591 21.787 -1.993 1.00 58.16 N ATOM 2748 OXT LYS B 87 -3.552 24.417 -5.305 1.00 57.66 O ATOM 0 H LYS B 87 -5.305 21.964 -5.231 1.00 51.78 H new ATOM 0 HA LYS B 87 -5.897 24.435 -6.837 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -7.397 25.034 -4.916 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -7.924 23.585 -5.749 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -6.006 22.851 -3.679 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -7.258 23.853 -2.973 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -8.107 21.668 -4.884 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -7.597 21.196 -3.275 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -9.379 23.540 -3.179 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -10.145 22.197 -4.005 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -10.514 22.081 -1.615 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -9.583 20.755 -2.124 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -8.842 22.056 -1.324 1.00 58.16 H new TER 2762 LYS B 87