USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 903 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 HIS : no HE2:sc= -5.81! C(o=-8.4!,f=-8!) USER MOD Set 1.2: A 74 CYS SG : rot 180:sc= -0.76 USER MOD Set 1.3: A 84 CYS SG : rot -136:sc= -0.476 USER MOD Set 1.4: B 4 GLN : amide:sc= -1.38 K(o=-8.4,f=-6.7) USER MOD Set 2.1: A 75 GLN : amide:sc= -0.805 K(o=-1.4,f=-2.2) USER MOD Set 2.2: A 88 LYS NZ :NH3+ -172:sc= -0.637 (180deg=-0.832) USER MOD Set 3.1: A 73 HIS : no HE2:sc= -0.7! C(o=-0.75!,f=-5.5!) USER MOD Set 3.2: B 6 MET CE :methyl 167:sc= -0.0495 (180deg=-0.328) USER MOD Set 4.1: A 45 HIS : no HD1:sc= -0.423 K(o=-0.93,f=-1.5) USER MOD Set 4.2: A 49 CYS SG : rot 86:sc= -0.504 USER MOD Set 5.1: A 22 HIS : no HD1:sc= -2.17! K(o=-4.7!,f=0.35) USER MOD Set 5.2: A 26 CYS SG : rot 158:sc= 0.68 USER MOD Set 5.3: A 36 CYS SG : rot -171:sc= -3.24! USER MOD Single : A 1 ALA N :NH3+ -115:sc= 0.17 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -1.27! K(o=-1.3!,f=-0.065) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -129:sc= 1.21 USER MOD Single : A 14 GLN : amide:sc= -5.19! C(o=-5.2!,f=-8.1!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 79:sc= 0.236! USER MOD Single : A 25 GLN : amide:sc= -0.0584 X(o=-0.058,f=0) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 CYS SG : rot 180:sc= 0.00129 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 161:sc= 1.29 USER MOD Single : A 37 GLN : amide:sc= -4.14! K(o=-4.1!,f=-1.9) USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= -0.475 (180deg=-0.545) USER MOD Single : A 39 MET CE :methyl -179:sc= -6.6! (180deg=-6.64!) USER MOD Single : A 40 LYS NZ :NH3+ 147:sc= 1.33 (180deg=-1.59) USER MOD Single : A 44 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.0031) USER MOD Single : A 46 THR OG1 : rot 101:sc= -4.56! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 148:sc= 1.24 (180deg=1.2) USER MOD Single : A 52 LYS NZ :NH3+ -112:sc= -0.845 (180deg=-1.41!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0196 USER MOD Single : A 54 ASN : amide:sc= 1.24 K(o=1.2,f=-0.026) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 40:sc= -16.6! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -1.8 K(o=-1.8,f=-0.62) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0493) USER MOD Single : A 77 ASN : amide:sc= -0.0313 X(o=-0.031,f=-0.021) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 180:sc= -3.3! USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.571 K(o=-0.57,f=-0.028) USER MOD Single : A 90 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0696) USER MOD Single : B 1 LEU N :NH3+ 154:sc= -0.0447 (180deg=-0.0975) USER MOD Single : B 3 SER OG : rot 67:sc= 0.196 USER MOD Single : B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 12 SER OG : rot 180:sc= 0.0184 USER MOD Single : B 18 GLN : amide:sc= -0.0677 X(o=-0.068,f=-0.074) USER MOD Single : B 21 THR OG1 : rot 95:sc= 0.549 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 21.210 -12.236 5.627 1.00 0.00 N ATOM 2 CA ALA A 1 20.244 -12.137 4.547 1.00 0.00 C ATOM 3 C ALA A 1 19.386 -10.918 4.782 1.00 0.00 C ATOM 4 O ALA A 1 19.322 -10.425 5.895 1.00 0.00 O ATOM 5 CB ALA A 1 19.389 -13.385 4.500 1.00 0.00 C ATOM 0 H1 ALA A 1 22.170 -12.110 5.247 1.00 0.00 H new ATOM 0 H2 ALA A 1 21.018 -11.498 6.334 1.00 0.00 H new ATOM 0 H3 ALA A 1 21.135 -13.172 6.075 1.00 0.00 H new ATOM 0 HA ALA A 1 20.760 -12.043 3.591 1.00 0.00 H new ATOM 0 HB1 ALA A 1 18.668 -13.301 3.687 1.00 0.00 H new ATOM 0 HB2 ALA A 1 20.024 -14.255 4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 1 18.859 -13.498 5.445 1.00 0.00 H new ATOM 13 N THR A 2 18.741 -10.424 3.757 1.00 0.00 N ATOM 14 CA THR A 2 17.897 -9.246 3.892 1.00 0.00 C ATOM 15 C THR A 2 16.517 -9.569 3.327 1.00 0.00 C ATOM 16 O THR A 2 15.588 -8.765 3.375 1.00 0.00 O ATOM 17 CB THR A 2 18.467 -8.098 3.041 1.00 0.00 C ATOM 18 OG1 THR A 2 19.922 -8.150 3.058 1.00 0.00 O ATOM 19 CG2 THR A 2 18.039 -6.753 3.610 1.00 0.00 C ATOM 0 H THR A 2 18.779 -10.814 2.815 1.00 0.00 H new ATOM 0 HA THR A 2 17.849 -8.962 4.943 1.00 0.00 H new ATOM 0 HB THR A 2 18.090 -8.208 2.024 1.00 0.00 H new ATOM 0 HG1 THR A 2 20.282 -7.419 2.514 1.00 0.00 H new ATOM 0 HG21 THR A 2 18.450 -5.951 2.997 1.00 0.00 H new ATOM 0 HG22 THR A 2 16.951 -6.688 3.611 1.00 0.00 H new ATOM 0 HG23 THR A 2 18.409 -6.655 4.631 1.00 0.00 H new ATOM 27 N GLN A 3 16.376 -10.775 2.847 1.00 0.00 N ATOM 28 CA GLN A 3 15.288 -11.157 2.104 1.00 0.00 C ATOM 29 C GLN A 3 15.034 -12.582 2.451 1.00 0.00 C ATOM 30 O GLN A 3 14.919 -13.451 1.604 1.00 0.00 O ATOM 31 CB GLN A 3 15.583 -10.876 0.603 1.00 0.00 C ATOM 32 CG GLN A 3 15.036 -9.516 0.118 1.00 0.00 C ATOM 33 CD GLN A 3 15.640 -9.045 -1.187 1.00 0.00 C ATOM 34 OE1 GLN A 3 14.985 -8.375 -1.980 1.00 0.00 O ATOM 35 NE2 GLN A 3 16.902 -9.306 -1.394 1.00 0.00 N ATOM 0 H GLN A 3 17.060 -11.518 2.988 1.00 0.00 H new ATOM 0 HA GLN A 3 14.377 -10.598 2.318 1.00 0.00 H new ATOM 0 HB2 GLN A 3 16.660 -10.906 0.440 1.00 0.00 H new ATOM 0 HB3 GLN A 3 15.147 -11.672 -0.001 1.00 0.00 H new ATOM 0 HG2 GLN A 3 13.955 -9.591 0.001 1.00 0.00 H new ATOM 0 HG3 GLN A 3 15.223 -8.765 0.886 1.00 0.00 H new ATOM 0 HE21 GLN A 3 17.424 -9.865 -0.720 1.00 0.00 H new ATOM 0 HE22 GLN A 3 17.366 -8.951 -2.230 1.00 0.00 H new ATOM 44 N SER A 4 14.981 -12.820 3.758 1.00 0.00 N ATOM 45 CA SER A 4 14.659 -14.159 4.259 1.00 0.00 C ATOM 46 C SER A 4 13.362 -14.255 5.077 1.00 0.00 C ATOM 47 O SER A 4 12.572 -15.166 4.899 1.00 0.00 O ATOM 48 CB SER A 4 15.793 -14.933 4.843 1.00 0.00 C ATOM 49 OG SER A 4 16.821 -15.135 3.895 1.00 0.00 O ATOM 0 H SER A 4 15.153 -12.120 4.480 1.00 0.00 H new ATOM 0 HA SER A 4 14.443 -14.689 3.331 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.192 -14.401 5.707 1.00 0.00 H new ATOM 0 HB3 SER A 4 15.431 -15.897 5.201 1.00 0.00 H new ATOM 0 HG SER A 4 17.551 -15.643 4.307 1.00 0.00 H new ATOM 55 N PRO A 5 13.025 -13.423 6.064 1.00 0.00 N ATOM 56 CA PRO A 5 11.631 -13.401 6.533 1.00 0.00 C ATOM 57 C PRO A 5 10.999 -12.487 5.538 1.00 0.00 C ATOM 58 O PRO A 5 9.807 -12.499 5.245 1.00 0.00 O ATOM 59 CB PRO A 5 11.708 -12.761 7.932 1.00 0.00 C ATOM 60 CG PRO A 5 13.137 -13.062 8.400 1.00 0.00 C ATOM 61 CD PRO A 5 13.961 -12.983 7.111 1.00 0.00 C ATOM 0 HA PRO A 5 11.095 -14.347 6.606 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.519 -11.688 7.891 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.968 -13.189 8.608 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.478 -12.337 9.139 1.00 0.00 H new ATOM 0 HG3 PRO A 5 13.209 -14.047 8.862 1.00 0.00 H new ATOM 0 HD2 PRO A 5 14.318 -11.970 6.927 1.00 0.00 H new ATOM 0 HD3 PRO A 5 14.839 -13.627 7.158 1.00 0.00 H new ATOM 69 N GLY A 6 11.920 -11.675 5.031 1.00 0.00 N ATOM 70 CA GLY A 6 11.760 -10.654 4.085 1.00 0.00 C ATOM 71 C GLY A 6 11.778 -10.873 2.617 1.00 0.00 C ATOM 72 O GLY A 6 11.417 -9.893 2.021 1.00 0.00 O ATOM 0 H GLY A 6 12.893 -11.752 5.327 1.00 0.00 H new ATOM 0 HA2 GLY A 6 10.806 -10.177 4.310 1.00 0.00 H new ATOM 0 HA3 GLY A 6 12.540 -9.921 4.293 1.00 0.00 H new ATOM 76 N ASP A 7 12.066 -11.968 1.836 1.00 0.00 N ATOM 77 CA ASP A 7 12.001 -11.682 0.460 1.00 0.00 C ATOM 78 C ASP A 7 10.512 -11.835 0.285 1.00 0.00 C ATOM 79 O ASP A 7 9.851 -10.927 -0.085 1.00 0.00 O ATOM 80 CB ASP A 7 12.705 -12.756 -0.289 1.00 0.00 C ATOM 81 CG ASP A 7 13.006 -12.532 -1.763 1.00 0.00 C ATOM 82 OD1 ASP A 7 14.067 -11.967 -2.095 1.00 0.00 O ATOM 83 OD2 ASP A 7 12.216 -12.987 -2.624 1.00 0.00 O ATOM 0 H ASP A 7 12.309 -12.914 2.130 1.00 0.00 H new ATOM 0 HA ASP A 7 12.432 -10.737 0.130 1.00 0.00 H new ATOM 0 HB2 ASP A 7 13.651 -12.949 0.217 1.00 0.00 H new ATOM 0 HB3 ASP A 7 12.108 -13.664 -0.206 1.00 0.00 H new ATOM 88 N SER A 8 9.974 -12.903 0.836 1.00 0.00 N ATOM 89 CA SER A 8 8.608 -13.050 0.735 1.00 0.00 C ATOM 90 C SER A 8 7.797 -11.900 1.495 1.00 0.00 C ATOM 91 O SER A 8 6.791 -11.494 0.986 1.00 0.00 O ATOM 92 CB SER A 8 8.108 -14.463 0.980 1.00 0.00 C ATOM 93 OG SER A 8 8.714 -15.378 0.082 1.00 0.00 O ATOM 0 H SER A 8 10.474 -13.639 1.335 1.00 0.00 H new ATOM 0 HA SER A 8 8.377 -12.895 -0.319 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.326 -14.757 2.007 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.025 -14.495 0.862 1.00 0.00 H new ATOM 0 HG SER A 8 8.378 -16.281 0.259 1.00 0.00 H new ATOM 99 N ARG A 9 8.278 -11.368 2.695 1.00 0.00 N ATOM 100 CA ARG A 9 7.683 -10.134 3.257 1.00 0.00 C ATOM 101 C ARG A 9 7.923 -8.908 2.417 1.00 0.00 C ATOM 102 O ARG A 9 6.997 -8.211 2.149 1.00 0.00 O ATOM 103 CB ARG A 9 7.943 -9.828 4.776 1.00 0.00 C ATOM 104 CG ARG A 9 7.034 -10.617 5.635 1.00 0.00 C ATOM 105 CD ARG A 9 6.452 -9.851 6.814 1.00 0.00 C ATOM 106 NE ARG A 9 7.424 -9.292 7.760 1.00 0.00 N ATOM 107 CZ ARG A 9 7.077 -8.850 8.994 1.00 0.00 C ATOM 108 NH1 ARG A 9 5.807 -8.958 9.416 1.00 0.00 N ATOM 109 NH2 ARG A 9 7.984 -8.312 9.800 1.00 0.00 N ATOM 0 H ARG A 9 9.037 -11.771 3.245 1.00 0.00 H new ATOM 0 HA ARG A 9 6.624 -10.390 3.214 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.978 -10.059 5.026 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.799 -8.765 4.967 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.214 -10.994 5.024 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.575 -11.484 6.014 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.842 -9.035 6.426 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.784 -10.517 7.361 1.00 0.00 H new ATOM 0 HE ARG A 9 8.402 -9.233 7.477 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.101 -9.373 8.808 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.548 -8.625 10.345 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.953 -8.228 9.493 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.712 -7.983 10.726 1.00 0.00 H new ATOM 123 N ARG A 10 9.154 -8.657 1.965 1.00 0.00 N ATOM 124 CA ARG A 10 9.428 -7.442 1.172 1.00 0.00 C ATOM 125 C ARG A 10 8.711 -7.483 -0.132 1.00 0.00 C ATOM 126 O ARG A 10 8.214 -6.475 -0.577 1.00 0.00 O ATOM 127 CB ARG A 10 10.910 -7.142 0.889 1.00 0.00 C ATOM 128 CG ARG A 10 11.735 -6.475 1.997 1.00 0.00 C ATOM 129 CD ARG A 10 11.998 -7.362 3.199 1.00 0.00 C ATOM 130 NE ARG A 10 12.858 -6.702 4.186 1.00 0.00 N ATOM 131 CZ ARG A 10 12.424 -5.907 5.202 1.00 0.00 C ATOM 132 NH1 ARG A 10 11.125 -5.683 5.389 1.00 0.00 N ATOM 133 NH2 ARG A 10 13.292 -5.357 6.027 1.00 0.00 N ATOM 0 H ARG A 10 9.963 -9.258 2.125 1.00 0.00 H new ATOM 0 HA ARG A 10 9.065 -6.639 1.813 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.397 -8.082 0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.959 -6.504 0.007 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.690 -6.155 1.580 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.215 -5.576 2.330 1.00 0.00 H new ATOM 0 HD2 ARG A 10 11.051 -7.632 3.665 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.467 -8.289 2.870 1.00 0.00 H new ATOM 0 HE ARG A 10 13.864 -6.851 4.105 1.00 0.00 H new ATOM 0 HH11 ARG A 10 10.439 -6.110 4.766 1.00 0.00 H new ATOM 0 HH12 ARG A 10 10.816 -5.085 6.155 1.00 0.00 H new ATOM 0 HH21 ARG A 10 14.290 -5.527 5.905 1.00 0.00 H new ATOM 0 HH22 ARG A 10 12.966 -4.761 6.788 1.00 0.00 H new ATOM 147 N LEU A 11 8.649 -8.638 -0.735 1.00 0.00 N ATOM 148 CA LEU A 11 7.923 -8.814 -1.952 1.00 0.00 C ATOM 149 C LEU A 11 6.509 -8.759 -1.714 1.00 0.00 C ATOM 150 O LEU A 11 5.780 -8.243 -2.512 1.00 0.00 O ATOM 151 CB LEU A 11 8.341 -10.016 -2.738 1.00 0.00 C ATOM 152 CG LEU A 11 9.764 -9.874 -3.367 1.00 0.00 C ATOM 153 CD1 LEU A 11 10.922 -10.183 -2.504 1.00 0.00 C ATOM 154 CD2 LEU A 11 9.873 -10.332 -4.794 1.00 0.00 C ATOM 0 H LEU A 11 9.104 -9.484 -0.391 1.00 0.00 H new ATOM 0 HA LEU A 11 8.181 -7.974 -2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.323 -10.891 -2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.616 -10.193 -3.532 1.00 0.00 H new ATOM 0 HG LEU A 11 9.861 -8.790 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.844 -10.043 -3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.920 -9.518 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.858 -11.217 -2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.896 -10.195 -5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.606 -11.387 -4.859 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.196 -9.747 -5.417 1.00 0.00 H new ATOM 166 N SER A 12 6.118 -9.172 -0.565 1.00 0.00 N ATOM 167 CA SER A 12 4.735 -9.063 -0.212 1.00 0.00 C ATOM 168 C SER A 12 4.392 -7.577 0.073 1.00 0.00 C ATOM 169 O SER A 12 3.260 -7.176 -0.043 1.00 0.00 O ATOM 170 CB SER A 12 4.366 -9.942 0.979 1.00 0.00 C ATOM 171 OG SER A 12 2.971 -10.181 1.054 1.00 0.00 O ATOM 0 H SER A 12 6.721 -9.585 0.146 1.00 0.00 H new ATOM 0 HA SER A 12 4.144 -9.422 -1.055 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.893 -10.893 0.904 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.701 -9.464 1.899 1.00 0.00 H new ATOM 0 HG SER A 12 2.651 -9.968 1.955 1.00 0.00 H new ATOM 177 N ILE A 13 5.416 -6.753 0.392 1.00 0.00 N ATOM 178 CA ILE A 13 5.191 -5.305 0.641 1.00 0.00 C ATOM 179 C ILE A 13 5.177 -4.684 -0.660 1.00 0.00 C ATOM 180 O ILE A 13 4.442 -3.785 -0.908 1.00 0.00 O ATOM 181 CB ILE A 13 6.294 -4.539 1.368 1.00 0.00 C ATOM 182 CG1 ILE A 13 6.850 -5.282 2.469 1.00 0.00 C ATOM 183 CG2 ILE A 13 5.690 -3.246 1.944 1.00 0.00 C ATOM 184 CD1 ILE A 13 8.187 -4.792 2.841 1.00 0.00 C ATOM 0 H ILE A 13 6.386 -7.054 0.482 1.00 0.00 H new ATOM 0 HA ILE A 13 4.293 -5.262 1.258 1.00 0.00 H new ATOM 0 HB ILE A 13 7.088 -4.346 0.646 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.184 -5.210 3.329 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.911 -6.337 2.201 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.464 -2.685 2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.288 -2.639 1.133 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.890 -3.497 2.640 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.571 -5.379 3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.860 -4.889 1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.122 -3.744 3.134 1.00 0.00 H new ATOM 196 N GLN A 14 6.084 -5.126 -1.480 1.00 0.00 N ATOM 197 CA GLN A 14 6.096 -4.711 -2.887 1.00 0.00 C ATOM 198 C GLN A 14 4.728 -4.915 -3.482 1.00 0.00 C ATOM 199 O GLN A 14 4.260 -4.109 -4.209 1.00 0.00 O ATOM 200 CB GLN A 14 7.100 -5.481 -3.728 1.00 0.00 C ATOM 201 CG GLN A 14 8.548 -5.184 -3.463 1.00 0.00 C ATOM 202 CD GLN A 14 9.468 -5.942 -4.395 1.00 0.00 C ATOM 203 OE1 GLN A 14 9.920 -7.015 -4.086 1.00 0.00 O ATOM 204 NE2 GLN A 14 9.725 -5.402 -5.556 1.00 0.00 N ATOM 0 H GLN A 14 6.830 -5.771 -1.219 1.00 0.00 H new ATOM 0 HA GLN A 14 6.387 -3.661 -2.899 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.934 -6.547 -3.571 1.00 0.00 H new ATOM 0 HB3 GLN A 14 6.895 -5.278 -4.779 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.724 -4.114 -3.573 1.00 0.00 H new ATOM 0 HG3 GLN A 14 8.787 -5.441 -2.431 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.330 -4.492 -5.794 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.321 -5.890 -6.225 1.00 0.00 H new ATOM 213 N ARG A 15 4.135 -6.015 -3.144 1.00 0.00 N ATOM 214 CA ARG A 15 2.778 -6.376 -3.541 1.00 0.00 C ATOM 215 C ARG A 15 1.733 -5.609 -2.832 1.00 0.00 C ATOM 216 O ARG A 15 0.671 -5.397 -3.345 1.00 0.00 O ATOM 217 CB ARG A 15 2.552 -7.768 -3.249 1.00 0.00 C ATOM 218 CG ARG A 15 3.424 -8.639 -4.094 1.00 0.00 C ATOM 219 CD ARG A 15 2.876 -10.023 -4.057 1.00 0.00 C ATOM 220 NE ARG A 15 3.595 -10.970 -4.899 1.00 0.00 N ATOM 221 CZ ARG A 15 3.376 -12.289 -4.880 1.00 0.00 C ATOM 222 NH1 ARG A 15 2.501 -12.804 -4.010 1.00 0.00 N ATOM 223 NH2 ARG A 15 4.050 -13.097 -5.701 1.00 0.00 N ATOM 0 H ARG A 15 4.584 -6.724 -2.563 1.00 0.00 H new ATOM 0 HA ARG A 15 2.705 -6.153 -4.605 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.752 -7.960 -2.195 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.505 -8.015 -3.425 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.452 -8.269 -5.119 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.449 -8.626 -3.722 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.894 -10.382 -3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.832 -9.997 -4.368 1.00 0.00 H new ATOM 0 HE ARG A 15 4.303 -10.607 -5.537 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.003 -12.191 -3.364 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.331 -13.810 -3.992 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.737 -12.709 -6.348 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.878 -14.102 -5.682 1.00 0.00 H new ATOM 237 N ALA A 16 2.034 -5.246 -1.665 1.00 0.00 N ATOM 238 CA ALA A 16 1.187 -4.484 -0.823 1.00 0.00 C ATOM 239 C ALA A 16 1.120 -3.140 -1.376 1.00 0.00 C ATOM 240 O ALA A 16 0.069 -2.613 -1.557 1.00 0.00 O ATOM 241 CB ALA A 16 1.733 -4.568 0.569 1.00 0.00 C ATOM 0 H ALA A 16 2.927 -5.478 -1.231 1.00 0.00 H new ATOM 0 HA ALA A 16 0.162 -4.853 -0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.101 -3.990 1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.750 -5.609 0.891 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.746 -4.166 0.587 1.00 0.00 H new ATOM 247 N ILE A 17 2.255 -2.634 -1.708 1.00 0.00 N ATOM 248 CA ILE A 17 2.373 -1.446 -2.434 1.00 0.00 C ATOM 249 C ILE A 17 1.803 -1.577 -3.820 1.00 0.00 C ATOM 250 O ILE A 17 1.109 -0.767 -4.198 1.00 0.00 O ATOM 251 CB ILE A 17 3.779 -1.033 -2.577 1.00 0.00 C ATOM 252 CG1 ILE A 17 4.338 -0.601 -1.316 1.00 0.00 C ATOM 253 CG2 ILE A 17 3.853 0.063 -3.510 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.763 -0.481 -1.346 1.00 0.00 C ATOM 0 H ILE A 17 3.150 -3.060 -1.467 1.00 0.00 H new ATOM 0 HA ILE A 17 1.815 -0.700 -1.868 1.00 0.00 H new ATOM 0 HB ILE A 17 4.349 -1.892 -2.932 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.904 0.361 -1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.055 -1.310 -0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.891 0.376 -3.622 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.463 -0.255 -4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.261 0.899 -3.137 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.121 -0.153 -0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.204 -1.448 -1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.051 0.250 -2.102 1.00 0.00 H new ATOM 266 N GLN A 18 2.176 -2.586 -4.590 1.00 0.00 N ATOM 267 CA GLN A 18 1.636 -2.745 -5.943 1.00 0.00 C ATOM 268 C GLN A 18 0.178 -2.822 -5.902 1.00 0.00 C ATOM 269 O GLN A 18 -0.463 -2.250 -6.741 1.00 0.00 O ATOM 270 CB GLN A 18 2.172 -3.964 -6.662 1.00 0.00 C ATOM 271 CG GLN A 18 3.605 -3.835 -7.144 1.00 0.00 C ATOM 272 CD GLN A 18 4.033 -4.992 -8.002 1.00 0.00 C ATOM 273 OE1 GLN A 18 3.863 -4.963 -9.221 1.00 0.00 O ATOM 274 NE2 GLN A 18 4.624 -5.990 -7.406 1.00 0.00 N ATOM 0 H GLN A 18 2.844 -3.305 -4.311 1.00 0.00 H new ATOM 0 HA GLN A 18 1.959 -1.866 -6.501 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.103 -4.823 -5.994 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.532 -4.175 -7.519 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.712 -2.909 -7.709 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.269 -3.761 -6.283 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.747 -5.979 -6.394 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.963 -6.782 -7.952 1.00 0.00 H new ATOM 283 N SER A 19 -0.357 -3.487 -4.910 1.00 0.00 N ATOM 284 CA SER A 19 -1.758 -3.520 -4.782 1.00 0.00 C ATOM 285 C SER A 19 -2.253 -2.220 -4.430 1.00 0.00 C ATOM 286 O SER A 19 -3.173 -1.770 -5.010 1.00 0.00 O ATOM 287 CB SER A 19 -2.229 -4.535 -3.836 1.00 0.00 C ATOM 288 OG SER A 19 -1.865 -5.835 -4.286 1.00 0.00 O ATOM 0 H SER A 19 0.163 -4.000 -4.198 1.00 0.00 H new ATOM 0 HA SER A 19 -2.158 -3.808 -5.754 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.801 -4.350 -2.851 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.312 -4.469 -3.730 1.00 0.00 H new ATOM 0 HG SER A 19 -0.922 -6.001 -4.079 1.00 0.00 H new ATOM 294 N LEU A 20 -1.610 -1.614 -3.519 1.00 0.00 N ATOM 295 CA LEU A 20 -1.918 -0.346 -3.090 1.00 0.00 C ATOM 296 C LEU A 20 -1.847 0.706 -4.204 1.00 0.00 C ATOM 297 O LEU A 20 -2.753 1.496 -4.373 1.00 0.00 O ATOM 298 CB LEU A 20 -0.999 0.034 -2.048 1.00 0.00 C ATOM 299 CG LEU A 20 -1.408 1.122 -1.391 1.00 0.00 C ATOM 300 CD1 LEU A 20 -2.319 0.683 -0.299 1.00 0.00 C ATOM 301 CD2 LEU A 20 -0.259 1.936 -1.067 1.00 0.00 C ATOM 0 H LEU A 20 -0.812 -2.025 -3.035 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.947 -0.376 -2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.886 -0.792 -1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.017 0.221 -2.482 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.022 1.807 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.669 1.554 0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.173 0.158 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.783 0.015 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.584 2.827 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.427 1.365 -0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.249 2.231 -1.985 1.00 0.00 H new ATOM 313 N VAL A 21 -0.757 0.697 -4.914 1.00 0.00 N ATOM 314 CA VAL A 21 -0.481 1.527 -6.003 1.00 0.00 C ATOM 315 C VAL A 21 -1.538 1.326 -7.041 1.00 0.00 C ATOM 316 O VAL A 21 -2.065 2.249 -7.569 1.00 0.00 O ATOM 317 CB VAL A 21 0.930 1.235 -6.640 1.00 0.00 C ATOM 318 CG1 VAL A 21 0.903 1.740 -8.024 1.00 0.00 C ATOM 319 CG2 VAL A 21 2.122 1.837 -5.816 1.00 0.00 C ATOM 0 H VAL A 21 0.008 0.052 -4.714 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.471 2.556 -5.644 1.00 0.00 H new ATOM 0 HB VAL A 21 1.112 0.160 -6.628 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.867 1.554 -8.498 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.119 1.228 -8.583 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.703 2.811 -8.017 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.063 1.599 -6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.010 2.919 -5.752 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.122 1.412 -4.812 1.00 0.00 H new ATOM 329 N HIS A 22 -1.814 0.106 -7.299 1.00 0.00 N ATOM 330 CA HIS A 22 -2.827 -0.301 -8.256 1.00 0.00 C ATOM 331 C HIS A 22 -4.114 0.132 -7.784 1.00 0.00 C ATOM 332 O HIS A 22 -4.830 0.616 -8.486 1.00 0.00 O ATOM 333 CB HIS A 22 -2.815 -1.774 -8.375 1.00 0.00 C ATOM 334 CG HIS A 22 -3.751 -2.391 -9.390 1.00 0.00 C ATOM 335 ND1 HIS A 22 -3.332 -2.859 -10.605 1.00 0.00 N ATOM 336 CD2 HIS A 22 -5.076 -2.639 -9.338 1.00 0.00 C ATOM 337 CE1 HIS A 22 -4.354 -3.362 -11.257 1.00 0.00 C ATOM 338 NE2 HIS A 22 -5.426 -3.241 -10.508 1.00 0.00 N ATOM 0 H HIS A 22 -1.341 -0.678 -6.849 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.624 0.145 -9.230 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.799 -2.085 -8.619 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.052 -2.194 -7.397 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.738 -2.403 -8.518 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -4.319 -3.801 -12.243 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -6.365 -3.547 -10.761 1.00 0.00 H new ATOM 347 N ALA A 23 -4.353 -0.032 -6.576 1.00 0.00 N ATOM 348 CA ALA A 23 -5.577 0.335 -5.958 1.00 0.00 C ATOM 349 C ALA A 23 -5.770 1.844 -6.072 1.00 0.00 C ATOM 350 O ALA A 23 -6.853 2.336 -6.282 1.00 0.00 O ATOM 351 CB ALA A 23 -5.482 -0.140 -4.523 1.00 0.00 C ATOM 0 H ALA A 23 -3.681 -0.447 -5.930 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.446 -0.119 -6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.400 0.115 -3.994 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.342 -1.221 -4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.635 0.343 -4.035 1.00 0.00 H new ATOM 357 N ALA A 24 -4.707 2.517 -6.006 1.00 0.00 N ATOM 358 CA ALA A 24 -4.668 3.921 -6.140 1.00 0.00 C ATOM 359 C ALA A 24 -4.852 4.317 -7.591 1.00 0.00 C ATOM 360 O ALA A 24 -5.611 5.220 -7.938 1.00 0.00 O ATOM 361 CB ALA A 24 -3.315 4.308 -5.716 1.00 0.00 C ATOM 0 H ALA A 24 -3.791 2.096 -5.850 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.453 4.400 -5.555 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.205 5.390 -5.792 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.155 3.999 -4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.580 3.823 -6.358 1.00 0.00 H new ATOM 367 N GLN A 25 -4.147 3.608 -8.417 1.00 0.00 N ATOM 368 CA GLN A 25 -4.019 3.866 -9.804 1.00 0.00 C ATOM 369 C GLN A 25 -5.194 3.331 -10.585 1.00 0.00 C ATOM 370 O GLN A 25 -5.529 3.829 -11.657 1.00 0.00 O ATOM 371 CB GLN A 25 -2.763 3.184 -10.298 1.00 0.00 C ATOM 372 CG GLN A 25 -2.412 3.498 -11.695 1.00 0.00 C ATOM 373 CD GLN A 25 -1.513 2.453 -12.381 1.00 0.00 C ATOM 374 OE1 GLN A 25 -1.621 2.260 -13.592 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.587 1.812 -11.675 1.00 0.00 N ATOM 0 H GLN A 25 -3.618 2.789 -8.117 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.977 4.945 -9.951 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.931 3.469 -9.654 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.887 2.105 -10.200 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.331 3.602 -12.272 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.908 4.464 -11.721 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.505 1.978 -10.672 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.041 1.154 -12.136 1.00 0.00 H new ATOM 384 N CYS A 26 -5.798 2.347 -10.051 1.00 0.00 N ATOM 385 CA CYS A 26 -6.910 1.733 -10.623 1.00 0.00 C ATOM 386 C CYS A 26 -8.070 2.593 -10.232 1.00 0.00 C ATOM 387 O CYS A 26 -8.217 2.911 -9.055 1.00 0.00 O ATOM 388 CB CYS A 26 -7.083 0.271 -10.060 1.00 0.00 C ATOM 389 SG CYS A 26 -8.538 -0.631 -10.642 1.00 0.00 S ATOM 0 H CYS A 26 -5.513 1.933 -9.163 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.819 1.640 -11.705 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.195 -0.305 -10.319 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.123 0.324 -8.972 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.339 -1.909 -10.508 1.00 0.00 H new ATOM 395 N ARG A 27 -8.905 2.983 -11.135 1.00 0.00 N ATOM 396 CA ARG A 27 -9.980 3.822 -10.701 1.00 0.00 C ATOM 397 C ARG A 27 -11.209 3.366 -11.311 1.00 0.00 C ATOM 398 O ARG A 27 -11.667 3.795 -12.361 1.00 0.00 O ATOM 399 CB ARG A 27 -9.744 5.357 -10.889 1.00 0.00 C ATOM 400 CG ARG A 27 -9.272 5.811 -12.283 1.00 0.00 C ATOM 401 CD ARG A 27 -7.757 5.739 -12.408 1.00 0.00 C ATOM 402 NE ARG A 27 -7.277 5.950 -13.784 1.00 0.00 N ATOM 403 CZ ARG A 27 -6.081 6.480 -14.118 1.00 0.00 C ATOM 404 NH1 ARG A 27 -5.288 7.007 -13.183 1.00 0.00 N ATOM 405 NH2 ARG A 27 -5.687 6.488 -15.387 1.00 0.00 N ATOM 0 H ARG A 27 -8.875 2.753 -12.128 1.00 0.00 H new ATOM 0 HA ARG A 27 -10.047 3.720 -9.618 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.674 5.877 -10.657 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.006 5.682 -10.156 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.732 5.183 -13.046 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.605 6.832 -12.467 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.309 6.488 -11.755 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.416 4.765 -12.057 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.897 5.674 -14.545 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.584 7.012 -12.207 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.386 7.405 -13.444 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.288 6.093 -16.110 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.783 6.889 -15.638 1.00 0.00 H new ATOM 419 N ASN A 28 -11.667 2.427 -10.647 1.00 0.00 N ATOM 420 CA ASN A 28 -12.874 1.797 -10.814 1.00 0.00 C ATOM 421 C ASN A 28 -13.234 1.437 -9.399 1.00 0.00 C ATOM 422 O ASN A 28 -12.468 0.685 -8.792 1.00 0.00 O ATOM 423 CB ASN A 28 -12.535 0.582 -11.583 1.00 0.00 C ATOM 424 CG ASN A 28 -13.670 -0.178 -12.130 1.00 0.00 C ATOM 425 OD1 ASN A 28 -14.804 -0.109 -11.637 1.00 0.00 O ATOM 426 ND2 ASN A 28 -13.367 -0.991 -13.080 1.00 0.00 N ATOM 0 H ASN A 28 -11.139 2.027 -9.872 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.672 2.349 -11.311 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.885 0.870 -12.409 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.957 -0.081 -10.939 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -14.076 -1.617 -13.461 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -12.417 -1.009 -13.452 1.00 0.00 H new ATOM 433 N ALA A 29 -14.261 1.939 -8.813 1.00 0.00 N ATOM 434 CA ALA A 29 -14.478 1.589 -7.420 1.00 0.00 C ATOM 435 C ALA A 29 -15.141 0.236 -7.269 1.00 0.00 C ATOM 436 O ALA A 29 -15.284 -0.264 -6.179 1.00 0.00 O ATOM 437 CB ALA A 29 -15.217 2.662 -6.670 1.00 0.00 C ATOM 0 H ALA A 29 -14.946 2.566 -9.235 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.491 1.512 -6.964 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.354 2.353 -5.634 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.643 3.588 -6.699 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.191 2.824 -7.132 1.00 0.00 H new ATOM 443 N ASN A 30 -15.533 -0.337 -8.380 1.00 0.00 N ATOM 444 CA ASN A 30 -16.161 -1.629 -8.417 1.00 0.00 C ATOM 445 C ASN A 30 -15.475 -2.471 -9.448 1.00 0.00 C ATOM 446 O ASN A 30 -16.127 -3.287 -10.134 1.00 0.00 O ATOM 447 CB ASN A 30 -17.623 -1.456 -8.795 1.00 0.00 C ATOM 448 CG ASN A 30 -18.470 -0.627 -7.805 1.00 0.00 C ATOM 449 OD1 ASN A 30 -19.015 -1.162 -6.841 1.00 0.00 O ATOM 450 ND2 ASN A 30 -18.636 0.667 -8.050 1.00 0.00 N ATOM 0 H ASN A 30 -15.421 0.091 -9.299 1.00 0.00 H new ATOM 0 HA ASN A 30 -16.090 -2.111 -7.442 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.674 -0.982 -9.775 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -18.074 -2.443 -8.895 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -19.222 1.231 -7.435 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -18.178 1.097 -8.853 1.00 0.00 H new ATOM 457 N CYS A 31 -14.146 -2.293 -9.571 1.00 0.00 N ATOM 458 CA CYS A 31 -13.348 -3.220 -10.362 1.00 0.00 C ATOM 459 C CYS A 31 -13.580 -4.452 -9.706 1.00 0.00 C ATOM 460 O CYS A 31 -13.473 -4.447 -8.449 1.00 0.00 O ATOM 461 CB CYS A 31 -11.847 -2.978 -10.167 1.00 0.00 C ATOM 462 SG CYS A 31 -10.777 -4.176 -10.992 1.00 0.00 S ATOM 0 H CYS A 31 -13.621 -1.532 -9.140 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.598 -3.149 -11.421 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.603 -1.981 -10.533 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.627 -2.989 -9.100 1.00 0.00 H new ATOM 0 HG CYS A 31 -9.533 -3.876 -10.763 1.00 0.00 H new ATOM 468 N SER A 32 -13.849 -5.557 -10.360 1.00 0.00 N ATOM 469 CA SER A 32 -13.994 -6.484 -9.466 1.00 0.00 C ATOM 470 C SER A 32 -12.755 -7.285 -9.533 1.00 0.00 C ATOM 471 O SER A 32 -12.614 -8.267 -10.251 1.00 0.00 O ATOM 472 CB SER A 32 -15.183 -7.313 -9.897 1.00 0.00 C ATOM 473 OG SER A 32 -16.284 -6.449 -10.185 1.00 0.00 O ATOM 0 H SER A 32 -13.946 -5.752 -11.356 1.00 0.00 H new ATOM 0 HA SER A 32 -14.157 -6.112 -8.455 1.00 0.00 H new ATOM 0 HB2 SER A 32 -14.929 -7.903 -10.778 1.00 0.00 H new ATOM 0 HB3 SER A 32 -15.455 -8.016 -9.110 1.00 0.00 H new ATOM 0 HG SER A 32 -17.055 -6.984 -10.466 1.00 0.00 H new ATOM 479 N LEU A 33 -11.812 -6.728 -8.869 1.00 0.00 N ATOM 480 CA LEU A 33 -10.899 -7.192 -8.112 1.00 0.00 C ATOM 481 C LEU A 33 -11.251 -6.577 -6.758 1.00 0.00 C ATOM 482 O LEU A 33 -10.867 -5.459 -6.519 1.00 0.00 O ATOM 483 CB LEU A 33 -9.567 -6.830 -8.684 1.00 0.00 C ATOM 484 CG LEU A 33 -8.413 -7.222 -7.884 1.00 0.00 C ATOM 485 CD1 LEU A 33 -8.661 -8.445 -7.122 1.00 0.00 C ATOM 486 CD2 LEU A 33 -7.246 -7.382 -8.710 1.00 0.00 C ATOM 0 H LEU A 33 -11.723 -5.713 -8.916 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.839 -8.276 -8.014 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.477 -7.289 -9.669 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.535 -5.750 -8.831 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.235 -6.417 -7.171 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.774 -8.698 -6.541 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.503 -8.289 -6.448 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.891 -9.261 -7.808 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.399 -7.675 -8.090 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.432 -8.153 -9.457 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.022 -6.439 -9.209 1.00 0.00 H new ATOM 498 N PRO A 34 -12.122 -7.146 -5.979 1.00 0.00 N ATOM 499 CA PRO A 34 -12.417 -6.675 -4.610 1.00 0.00 C ATOM 500 C PRO A 34 -11.235 -6.643 -3.751 1.00 0.00 C ATOM 501 O PRO A 34 -11.226 -5.991 -2.750 1.00 0.00 O ATOM 502 CB PRO A 34 -13.392 -7.666 -4.127 1.00 0.00 C ATOM 503 CG PRO A 34 -14.132 -7.933 -5.380 1.00 0.00 C ATOM 504 CD PRO A 34 -13.051 -8.120 -6.394 1.00 0.00 C ATOM 0 HA PRO A 34 -12.783 -5.648 -4.599 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -12.914 -8.560 -3.727 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.034 -7.269 -3.341 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.759 -8.821 -5.294 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -14.789 -7.103 -5.642 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -12.632 -9.126 -6.370 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.404 -7.946 -7.410 1.00 0.00 H new ATOM 512 N SER A 35 -10.260 -7.344 -4.133 1.00 0.00 N ATOM 513 CA SER A 35 -9.040 -7.248 -3.484 1.00 0.00 C ATOM 514 C SER A 35 -8.307 -5.933 -3.937 1.00 0.00 C ATOM 515 O SER A 35 -7.590 -5.308 -3.121 1.00 0.00 O ATOM 516 CB SER A 35 -8.271 -8.546 -3.638 1.00 0.00 C ATOM 517 OG SER A 35 -9.041 -9.625 -3.116 1.00 0.00 O ATOM 0 H SER A 35 -10.287 -8.004 -4.910 1.00 0.00 H new ATOM 0 HA SER A 35 -9.156 -7.136 -2.406 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.045 -8.723 -4.689 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.318 -8.480 -3.114 1.00 0.00 H new ATOM 0 HG SER A 35 -8.703 -10.472 -3.475 1.00 0.00 H new ATOM 523 N CYS A 36 -8.569 -5.430 -5.226 1.00 0.00 N ATOM 524 CA CYS A 36 -8.095 -4.138 -5.578 1.00 0.00 C ATOM 525 C CYS A 36 -8.865 -3.197 -4.725 1.00 0.00 C ATOM 526 O CYS A 36 -8.292 -2.389 -4.031 1.00 0.00 O ATOM 527 CB CYS A 36 -8.321 -3.708 -7.065 1.00 0.00 C ATOM 528 SG CYS A 36 -7.758 -2.043 -7.409 1.00 0.00 S ATOM 0 H CYS A 36 -9.085 -5.923 -5.955 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.014 -4.137 -5.439 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.799 -4.404 -7.721 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.383 -3.782 -7.301 1.00 0.00 H new ATOM 0 HG CYS A 36 -8.141 -1.693 -8.601 1.00 0.00 H new ATOM 534 N GLN A 37 -10.215 -3.413 -4.759 1.00 0.00 N ATOM 535 CA GLN A 37 -11.236 -2.671 -4.014 1.00 0.00 C ATOM 536 C GLN A 37 -10.851 -2.462 -2.690 1.00 0.00 C ATOM 537 O GLN A 37 -10.855 -1.383 -2.235 1.00 0.00 O ATOM 538 CB GLN A 37 -12.623 -3.322 -4.037 1.00 0.00 C ATOM 539 CG GLN A 37 -13.276 -3.386 -5.448 1.00 0.00 C ATOM 540 CD GLN A 37 -14.749 -3.724 -5.415 1.00 0.00 C ATOM 541 OE1 GLN A 37 -15.579 -2.868 -5.239 1.00 0.00 O ATOM 542 NE2 GLN A 37 -15.072 -4.917 -5.737 1.00 0.00 N ATOM 0 H GLN A 37 -10.621 -4.147 -5.339 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.319 -1.717 -4.534 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.543 -4.334 -3.640 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.283 -2.768 -3.369 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.143 -2.425 -5.945 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.754 -4.131 -6.048 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -14.347 -5.621 -5.880 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -16.054 -5.166 -5.852 1.00 0.00 H new ATOM 551 N LYS A 38 -10.499 -3.457 -2.104 1.00 0.00 N ATOM 552 CA LYS A 38 -10.136 -3.443 -0.822 1.00 0.00 C ATOM 553 C LYS A 38 -8.930 -2.537 -0.500 1.00 0.00 C ATOM 554 O LYS A 38 -8.980 -1.739 0.401 1.00 0.00 O ATOM 555 CB LYS A 38 -9.840 -4.763 -0.478 1.00 0.00 C ATOM 556 CG LYS A 38 -9.029 -4.806 0.691 1.00 0.00 C ATOM 557 CD LYS A 38 -9.331 -5.894 1.520 1.00 0.00 C ATOM 558 CE LYS A 38 -9.126 -7.204 0.808 1.00 0.00 C ATOM 559 NZ LYS A 38 -9.386 -8.373 1.671 1.00 0.00 N ATOM 0 H LYS A 38 -10.452 -4.379 -2.538 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.959 -3.022 -0.244 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.764 -5.316 -0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.324 -5.253 -1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.980 -4.858 0.399 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.158 -3.880 1.252 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.702 -5.860 2.410 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.365 -5.820 1.857 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.783 -7.247 -0.061 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.103 -7.254 0.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.039 -9.234 1.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.894 -8.250 2.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.409 -8.459 1.840 1.00 0.00 H new ATOM 573 N MET A 39 -7.855 -2.735 -1.220 1.00 0.00 N ATOM 574 CA MET A 39 -6.608 -1.992 -0.989 1.00 0.00 C ATOM 575 C MET A 39 -6.852 -0.538 -1.199 1.00 0.00 C ATOM 576 O MET A 39 -6.364 0.335 -0.513 1.00 0.00 O ATOM 577 CB MET A 39 -5.574 -2.383 -2.016 1.00 0.00 C ATOM 578 CG MET A 39 -4.710 -3.508 -1.672 1.00 0.00 C ATOM 579 SD MET A 39 -3.176 -3.068 -0.818 1.00 0.00 S ATOM 580 CE MET A 39 -3.769 -2.063 0.486 1.00 0.00 C ATOM 0 H MET A 39 -7.803 -3.409 -1.984 1.00 0.00 H new ATOM 0 HA MET A 39 -6.270 -2.211 0.024 1.00 0.00 H new ATOM 0 HB2 MET A 39 -6.090 -2.620 -2.947 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.944 -1.516 -2.213 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.272 -4.198 -1.043 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.457 -4.044 -2.587 1.00 0.00 H new ATOM 0 HE1 MET A 39 -2.929 -1.707 1.082 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.307 -1.210 0.072 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.441 -2.645 1.117 1.00 0.00 H new ATOM 590 N LYS A 40 -7.538 -0.360 -2.215 1.00 0.00 N ATOM 591 CA LYS A 40 -8.049 0.847 -2.741 1.00 0.00 C ATOM 592 C LYS A 40 -8.843 1.522 -1.675 1.00 0.00 C ATOM 593 O LYS A 40 -8.628 2.619 -1.368 1.00 0.00 O ATOM 594 CB LYS A 40 -8.979 0.385 -3.740 1.00 0.00 C ATOM 595 CG LYS A 40 -9.126 1.137 -4.906 1.00 0.00 C ATOM 596 CD LYS A 40 -10.027 0.357 -5.823 1.00 0.00 C ATOM 597 CE LYS A 40 -9.746 0.652 -7.215 1.00 0.00 C ATOM 598 NZ LYS A 40 -10.305 1.940 -7.611 1.00 0.00 N ATOM 0 H LYS A 40 -7.806 -1.153 -2.798 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.281 1.526 -3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.682 -0.623 -4.030 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.959 0.306 -3.270 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.555 2.114 -4.683 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.158 1.314 -5.375 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.898 -0.710 -5.642 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.068 0.594 -5.602 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.668 0.657 -7.377 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.160 -0.135 -7.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.689 2.382 -8.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.253 1.798 -8.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.373 2.560 -6.779 1.00 0.00 H new ATOM 612 N ARG A 41 -9.672 0.724 -1.044 1.00 0.00 N ATOM 613 CA ARG A 41 -10.588 1.068 0.057 1.00 0.00 C ATOM 614 C ARG A 41 -9.869 1.244 1.250 1.00 0.00 C ATOM 615 O ARG A 41 -10.411 1.610 2.222 1.00 0.00 O ATOM 616 CB ARG A 41 -11.550 0.013 0.288 1.00 0.00 C ATOM 617 CG ARG A 41 -12.764 0.149 -0.578 1.00 0.00 C ATOM 618 CD ARG A 41 -13.811 -0.802 -0.166 1.00 0.00 C ATOM 619 NE ARG A 41 -14.981 -0.707 -1.038 1.00 0.00 N ATOM 620 CZ ARG A 41 -16.205 -1.154 -0.757 1.00 0.00 C ATOM 621 NH1 ARG A 41 -16.437 -1.827 0.363 1.00 0.00 N ATOM 622 NH2 ARG A 41 -17.193 -0.945 -1.620 1.00 0.00 N ATOM 0 H ARG A 41 -9.741 -0.262 -1.294 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.102 1.986 -0.230 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.079 -0.952 0.100 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.851 0.022 1.336 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.147 1.168 -0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.495 -0.028 -1.619 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.415 -1.817 -0.193 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.104 -0.601 0.864 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.848 -0.258 -1.944 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.675 -2.006 1.017 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.377 -2.165 0.569 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -17.012 -0.445 -2.491 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -18.132 -1.284 -1.412 1.00 0.00 H new ATOM 636 N VAL A 42 -8.674 0.839 1.210 1.00 0.00 N ATOM 637 CA VAL A 42 -7.818 1.019 2.203 1.00 0.00 C ATOM 638 C VAL A 42 -7.120 2.337 2.079 1.00 0.00 C ATOM 639 O VAL A 42 -7.036 3.062 3.043 1.00 0.00 O ATOM 640 CB VAL A 42 -6.978 -0.189 2.530 1.00 0.00 C ATOM 641 CG1 VAL A 42 -5.543 0.201 2.745 1.00 0.00 C ATOM 642 CG2 VAL A 42 -7.577 -0.666 3.753 1.00 0.00 C ATOM 0 H VAL A 42 -8.278 0.343 0.411 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.385 1.104 3.130 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.960 -0.937 1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.956 -0.687 2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.153 0.665 1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.478 0.908 3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.046 -1.554 4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.515 0.110 4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.623 -0.915 3.573 1.00 0.00 H new ATOM 652 N VAL A 43 -6.673 2.660 0.882 1.00 0.00 N ATOM 653 CA VAL A 43 -6.275 3.965 0.533 1.00 0.00 C ATOM 654 C VAL A 43 -7.382 4.884 0.870 1.00 0.00 C ATOM 655 O VAL A 43 -7.221 5.823 1.603 1.00 0.00 O ATOM 656 CB VAL A 43 -5.977 4.030 -0.976 1.00 0.00 C ATOM 657 CG1 VAL A 43 -5.856 5.432 -1.406 1.00 0.00 C ATOM 658 CG2 VAL A 43 -4.739 3.147 -1.416 1.00 0.00 C ATOM 0 H VAL A 43 -6.583 1.987 0.121 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.373 4.248 1.076 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.825 3.584 -1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.645 5.468 -2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.789 5.957 -1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.044 5.911 -0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.588 3.242 -2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.845 3.487 -0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.930 2.103 -1.167 1.00 0.00 H new ATOM 668 N GLN A 44 -8.499 4.527 0.424 1.00 0.00 N ATOM 669 CA GLN A 44 -9.650 5.281 0.568 1.00 0.00 C ATOM 670 C GLN A 44 -10.179 5.259 2.027 1.00 0.00 C ATOM 671 O GLN A 44 -10.751 6.268 2.503 1.00 0.00 O ATOM 672 CB GLN A 44 -10.638 4.805 -0.471 1.00 0.00 C ATOM 673 CG GLN A 44 -10.098 5.032 -1.880 1.00 0.00 C ATOM 674 CD GLN A 44 -10.178 6.462 -2.371 1.00 0.00 C ATOM 675 OE1 GLN A 44 -11.187 6.883 -2.941 1.00 0.00 O ATOM 676 NE2 GLN A 44 -9.120 7.201 -2.209 1.00 0.00 N ATOM 0 H GLN A 44 -8.644 3.652 -0.080 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.453 6.338 0.389 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.845 3.745 -0.323 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.583 5.335 -0.350 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.057 4.711 -1.910 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.649 4.394 -2.572 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.301 6.822 -1.733 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.109 8.159 -2.558 1.00 0.00 H new ATOM 685 N HIS A 45 -9.896 4.145 2.769 1.00 0.00 N ATOM 686 CA HIS A 45 -10.347 4.025 4.202 1.00 0.00 C ATOM 687 C HIS A 45 -9.597 5.018 4.926 1.00 0.00 C ATOM 688 O HIS A 45 -10.131 5.845 5.581 1.00 0.00 O ATOM 689 CB HIS A 45 -10.049 2.639 4.839 1.00 0.00 C ATOM 690 CG HIS A 45 -10.621 2.411 6.222 1.00 0.00 C ATOM 691 ND1 HIS A 45 -11.900 1.970 6.439 1.00 0.00 N ATOM 692 CD2 HIS A 45 -10.060 2.528 7.450 1.00 0.00 C ATOM 693 CE1 HIS A 45 -12.107 1.826 7.726 1.00 0.00 C ATOM 694 NE2 HIS A 45 -11.006 2.157 8.364 1.00 0.00 N ATOM 0 H HIS A 45 -9.376 3.340 2.419 1.00 0.00 H new ATOM 0 HA HIS A 45 -11.428 4.156 4.243 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -10.434 1.865 4.175 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -8.968 2.508 4.888 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -9.053 2.854 7.666 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -13.026 1.492 8.184 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -10.879 2.140 9.376 1.00 0.00 H new ATOM 703 N THR A 46 -8.342 4.915 4.714 1.00 0.00 N ATOM 704 CA THR A 46 -7.338 5.804 5.159 1.00 0.00 C ATOM 705 C THR A 46 -7.774 7.249 5.009 1.00 0.00 C ATOM 706 O THR A 46 -7.918 7.912 5.987 1.00 0.00 O ATOM 707 CB THR A 46 -6.036 5.478 4.329 1.00 0.00 C ATOM 708 OG1 THR A 46 -5.432 4.342 4.777 1.00 0.00 O ATOM 709 CG2 THR A 46 -5.029 6.519 4.183 1.00 0.00 C ATOM 0 H THR A 46 -7.956 4.138 4.177 1.00 0.00 H new ATOM 0 HA THR A 46 -7.142 5.672 6.223 1.00 0.00 H new ATOM 0 HB THR A 46 -6.448 5.361 3.327 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.651 3.597 4.179 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.198 6.140 3.588 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.468 7.383 3.684 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.665 6.814 5.167 1.00 0.00 H new ATOM 717 N LYS A 47 -8.152 7.674 3.860 1.00 0.00 N ATOM 718 CA LYS A 47 -8.296 9.083 3.649 1.00 0.00 C ATOM 719 C LYS A 47 -9.509 9.621 4.353 1.00 0.00 C ATOM 720 O LYS A 47 -9.471 10.723 4.899 1.00 0.00 O ATOM 721 CB LYS A 47 -8.444 9.359 2.236 1.00 0.00 C ATOM 722 CG LYS A 47 -7.450 8.647 1.314 1.00 0.00 C ATOM 723 CD LYS A 47 -7.510 9.182 -0.081 1.00 0.00 C ATOM 724 CE LYS A 47 -6.492 10.259 -0.212 1.00 0.00 C ATOM 725 NZ LYS A 47 -6.615 11.027 -1.466 1.00 0.00 N ATOM 0 H LYS A 47 -8.367 7.084 3.056 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.402 9.564 4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -9.454 9.082 1.934 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.349 10.434 2.082 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.440 8.766 1.706 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.664 7.578 1.304 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.317 8.387 -0.801 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.505 9.572 -0.296 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.583 10.940 0.634 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.497 9.817 -0.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.879 11.761 -1.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.500 10.387 -2.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.553 11.475 -1.508 1.00 0.00 H new ATOM 739 N GLY A 48 -10.568 8.859 4.371 1.00 0.00 N ATOM 740 CA GLY A 48 -11.707 9.335 5.085 1.00 0.00 C ATOM 741 C GLY A 48 -11.522 9.103 6.563 1.00 0.00 C ATOM 742 O GLY A 48 -12.145 9.758 7.389 1.00 0.00 O ATOM 0 H GLY A 48 -10.662 7.949 3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.851 10.398 4.890 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.604 8.823 4.738 1.00 0.00 H new ATOM 746 N CYS A 49 -10.610 8.219 6.897 1.00 0.00 N ATOM 747 CA CYS A 49 -10.403 7.858 8.286 1.00 0.00 C ATOM 748 C CYS A 49 -9.267 8.596 8.918 1.00 0.00 C ATOM 749 O CYS A 49 -8.336 7.969 9.186 1.00 0.00 O ATOM 750 CB CYS A 49 -10.178 6.327 8.474 1.00 0.00 C ATOM 751 SG CYS A 49 -11.668 5.352 8.219 1.00 0.00 S ATOM 0 H CYS A 49 -10.002 7.738 6.234 1.00 0.00 H new ATOM 0 HA CYS A 49 -11.326 8.148 8.788 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -9.409 5.992 7.778 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -9.800 6.143 9.480 1.00 0.00 H new ATOM 0 HG CYS A 49 -11.796 5.077 6.955 1.00 0.00 H new ATOM 757 N LYS A 50 -9.374 9.896 9.287 1.00 0.00 N ATOM 758 CA LYS A 50 -8.148 10.651 9.868 1.00 0.00 C ATOM 759 C LYS A 50 -7.612 10.094 11.150 1.00 0.00 C ATOM 760 O LYS A 50 -6.467 10.419 11.644 1.00 0.00 O ATOM 761 CB LYS A 50 -8.253 12.130 9.898 1.00 0.00 C ATOM 762 CG LYS A 50 -7.380 12.808 8.855 1.00 0.00 C ATOM 763 CD LYS A 50 -7.906 12.617 7.422 1.00 0.00 C ATOM 764 CE LYS A 50 -9.278 13.258 7.232 1.00 0.00 C ATOM 765 NZ LYS A 50 -9.745 13.218 5.829 1.00 0.00 N ATOM 0 H LYS A 50 -10.227 10.450 9.214 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.392 10.442 9.112 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.292 12.418 9.738 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.972 12.489 10.888 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.319 13.874 9.076 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.367 12.410 8.921 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.200 13.052 6.715 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.968 11.552 7.196 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.003 12.746 7.865 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.238 14.295 7.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.782 13.138 5.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.456 14.090 5.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.326 12.397 5.347 1.00 0.00 H new ATOM 779 N ARG A 51 -8.332 9.137 11.617 1.00 0.00 N ATOM 780 CA ARG A 51 -7.901 8.315 12.663 1.00 0.00 C ATOM 781 C ARG A 51 -6.647 7.491 12.207 1.00 0.00 C ATOM 782 O ARG A 51 -6.064 6.756 13.001 1.00 0.00 O ATOM 783 CB ARG A 51 -8.998 7.420 13.255 1.00 0.00 C ATOM 784 CG ARG A 51 -10.167 8.151 13.925 1.00 0.00 C ATOM 785 CD ARG A 51 -9.757 8.914 15.188 1.00 0.00 C ATOM 786 NE ARG A 51 -10.888 9.631 15.777 1.00 0.00 N ATOM 787 CZ ARG A 51 -10.795 10.764 16.490 1.00 0.00 C ATOM 788 NH1 ARG A 51 -9.607 11.302 16.749 1.00 0.00 N ATOM 789 NH2 ARG A 51 -11.891 11.361 16.936 1.00 0.00 N ATOM 0 H ARG A 51 -9.261 8.907 11.264 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.619 8.972 13.486 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.396 6.791 12.459 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.542 6.755 13.988 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.606 8.850 13.213 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.941 7.427 14.181 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.348 8.216 15.919 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.964 9.621 14.945 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.819 9.240 15.635 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.758 10.853 16.405 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.545 12.163 17.292 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.807 10.959 16.737 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.818 12.222 17.478 1.00 0.00 H new ATOM 803 N LYS A 52 -6.286 7.666 10.911 1.00 0.00 N ATOM 804 CA LYS A 52 -5.255 6.981 10.192 1.00 0.00 C ATOM 805 C LYS A 52 -4.018 6.788 11.046 1.00 0.00 C ATOM 806 O LYS A 52 -3.737 5.672 11.504 1.00 0.00 O ATOM 807 CB LYS A 52 -4.868 7.984 9.034 1.00 0.00 C ATOM 808 CG LYS A 52 -5.935 8.283 8.022 1.00 0.00 C ATOM 809 CD LYS A 52 -5.601 9.473 7.153 1.00 0.00 C ATOM 810 CE LYS A 52 -5.278 9.178 5.766 1.00 0.00 C ATOM 811 NZ LYS A 52 -5.147 10.427 4.984 1.00 0.00 N ATOM 0 H LYS A 52 -6.763 8.349 10.323 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.594 6.000 9.861 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.555 8.924 9.488 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.003 7.580 8.508 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.085 7.408 7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.877 8.469 8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.447 10.160 7.170 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.756 9.998 7.599 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.348 8.612 5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.056 8.551 5.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.928 10.492 4.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.181 11.244 5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.240 10.424 4.475 1.00 0.00 H new ATOM 825 N THR A 53 -3.301 7.819 11.283 1.00 0.00 N ATOM 826 CA THR A 53 -2.375 7.858 12.269 1.00 0.00 C ATOM 827 C THR A 53 -2.916 8.429 13.587 1.00 0.00 C ATOM 828 O THR A 53 -2.460 8.042 14.659 1.00 0.00 O ATOM 829 CB THR A 53 -1.049 8.415 11.758 1.00 0.00 C ATOM 830 OG1 THR A 53 -1.297 9.633 11.016 1.00 0.00 O ATOM 831 CG2 THR A 53 -0.410 7.354 10.827 1.00 0.00 C ATOM 0 H THR A 53 -3.372 8.686 10.750 1.00 0.00 H new ATOM 0 HA THR A 53 -2.133 6.837 12.564 1.00 0.00 H new ATOM 0 HB THR A 53 -0.379 8.637 12.589 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.447 9.995 10.688 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.541 7.728 10.448 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.241 6.434 11.386 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.080 7.152 9.991 1.00 0.00 H new ATOM 839 N ASN A 54 -3.965 9.332 13.510 1.00 0.00 N ATOM 840 CA ASN A 54 -4.370 10.078 14.711 1.00 0.00 C ATOM 841 C ASN A 54 -5.034 9.228 15.762 1.00 0.00 C ATOM 842 O ASN A 54 -4.987 9.542 16.944 1.00 0.00 O ATOM 843 CB ASN A 54 -5.262 11.256 14.385 1.00 0.00 C ATOM 844 CG ASN A 54 -4.545 12.373 13.625 1.00 0.00 C ATOM 845 OD1 ASN A 54 -3.912 13.252 14.232 1.00 0.00 O ATOM 846 ND2 ASN A 54 -4.671 12.390 12.318 1.00 0.00 N ATOM 0 H ASN A 54 -4.502 9.535 12.667 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.431 10.443 15.127 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.107 10.908 13.791 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.669 11.661 15.312 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.243 13.139 11.774 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.197 11.654 11.847 1.00 0.00 H new ATOM 853 N GLY A 55 -5.649 8.173 15.341 1.00 0.00 N ATOM 854 CA GLY A 55 -6.344 7.319 16.259 1.00 0.00 C ATOM 855 C GLY A 55 -5.742 5.948 16.335 1.00 0.00 C ATOM 856 O GLY A 55 -6.309 5.062 16.977 1.00 0.00 O ATOM 0 H GLY A 55 -5.687 7.877 14.366 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.334 7.772 17.250 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.388 7.238 15.956 1.00 0.00 H new ATOM 860 N GLY A 56 -4.597 5.764 15.684 1.00 0.00 N ATOM 861 CA GLY A 56 -3.965 4.487 15.648 1.00 0.00 C ATOM 862 C GLY A 56 -4.784 3.501 14.946 1.00 0.00 C ATOM 863 O GLY A 56 -5.079 2.430 15.488 1.00 0.00 O ATOM 0 H GLY A 56 -4.101 6.498 15.178 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.997 4.573 15.155 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.776 4.145 16.666 1.00 0.00 H new ATOM 867 N CYS A 57 -5.191 3.823 13.761 1.00 0.00 N ATOM 868 CA CYS A 57 -5.936 2.866 13.035 1.00 0.00 C ATOM 869 C CYS A 57 -4.992 2.390 12.013 1.00 0.00 C ATOM 870 O CYS A 57 -4.968 2.982 10.915 1.00 0.00 O ATOM 871 CB CYS A 57 -7.243 3.467 12.375 1.00 0.00 C ATOM 872 SG CYS A 57 -8.295 2.280 11.499 1.00 0.00 S ATOM 0 H CYS A 57 -5.024 4.714 13.293 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.308 2.072 13.683 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.836 3.944 13.155 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -6.948 4.249 11.676 1.00 0.00 H new ATOM 0 HG CYS A 57 -9.329 2.896 11.008 1.00 0.00 H new ATOM 878 N PRO A 58 -4.072 1.386 12.288 1.00 0.00 N ATOM 879 CA PRO A 58 -3.071 1.382 11.277 1.00 0.00 C ATOM 880 C PRO A 58 -3.370 0.534 10.041 1.00 0.00 C ATOM 881 O PRO A 58 -2.538 -0.293 9.633 1.00 0.00 O ATOM 882 CB PRO A 58 -2.217 0.338 12.054 1.00 0.00 C ATOM 883 CG PRO A 58 -3.291 -0.641 12.408 1.00 0.00 C ATOM 884 CD PRO A 58 -4.256 0.185 13.061 1.00 0.00 C ATOM 0 HA PRO A 58 -2.784 2.381 10.949 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.433 -0.104 11.439 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.731 0.764 12.932 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.704 -1.128 11.525 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.922 -1.430 13.063 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.269 -0.212 12.990 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.043 0.327 14.120 1.00 0.00 H new ATOM 892 N ILE A 59 -4.097 1.107 9.251 1.00 0.00 N ATOM 893 CA ILE A 59 -4.250 0.850 7.981 1.00 0.00 C ATOM 894 C ILE A 59 -3.529 1.752 7.204 1.00 0.00 C ATOM 895 O ILE A 59 -2.706 1.396 6.553 1.00 0.00 O ATOM 896 CB ILE A 59 -5.650 0.494 7.670 1.00 0.00 C ATOM 897 CG1 ILE A 59 -6.030 0.517 6.276 1.00 0.00 C ATOM 898 CG2 ILE A 59 -6.675 1.022 8.617 1.00 0.00 C ATOM 899 CD1 ILE A 59 -6.513 1.857 5.792 1.00 0.00 C ATOM 0 H ILE A 59 -4.682 1.888 9.549 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.771 -0.077 7.667 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.646 -0.576 7.879 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.175 0.212 5.673 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.815 -0.221 6.113 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.666 0.702 8.296 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.477 0.639 9.618 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.632 2.111 8.630 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.778 1.789 4.737 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.389 2.158 6.367 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.723 2.597 5.921 1.00 0.00 H new ATOM 911 N CYS A 60 -3.841 3.040 7.468 1.00 0.00 N ATOM 912 CA CYS A 60 -3.149 4.212 6.925 1.00 0.00 C ATOM 913 C CYS A 60 -1.845 4.323 7.551 1.00 0.00 C ATOM 914 O CYS A 60 -1.033 4.949 7.073 1.00 0.00 O ATOM 915 CB CYS A 60 -3.844 5.540 7.226 1.00 0.00 C ATOM 916 SG CYS A 60 -2.994 6.962 6.489 1.00 0.00 S ATOM 0 H CYS A 60 -4.610 3.293 8.088 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.119 4.055 5.847 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.868 5.502 6.853 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.903 5.677 8.306 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.575 6.648 5.299 1.00 0.00 H new ATOM 922 N LYS A 61 -1.683 3.783 8.667 1.00 0.00 N ATOM 923 CA LYS A 61 -0.426 3.822 9.269 1.00 0.00 C ATOM 924 C LYS A 61 0.418 2.852 8.619 1.00 0.00 C ATOM 925 O LYS A 61 1.525 3.181 8.233 1.00 0.00 O ATOM 926 CB LYS A 61 -0.496 3.546 10.665 1.00 0.00 C ATOM 927 CG LYS A 61 0.788 3.754 11.321 1.00 0.00 C ATOM 928 CD LYS A 61 0.777 3.008 12.584 1.00 0.00 C ATOM 929 CE LYS A 61 -0.415 3.301 13.533 1.00 0.00 C ATOM 930 NZ LYS A 61 -0.151 2.728 14.880 1.00 0.00 N ATOM 0 H LYS A 61 -2.409 3.300 9.196 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.017 4.826 9.160 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.248 4.187 11.125 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.819 2.516 10.816 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.602 3.411 10.683 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.954 4.815 11.506 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.780 1.942 12.354 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.703 3.222 13.118 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.571 4.377 13.612 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.330 2.875 13.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.956 2.930 15.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.024 1.699 14.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.712 3.154 15.275 1.00 0.00 H new ATOM 944 N GLN A 62 -0.078 1.644 8.445 1.00 0.00 N ATOM 945 CA GLN A 62 0.760 0.738 7.753 1.00 0.00 C ATOM 946 C GLN A 62 0.724 0.962 6.268 1.00 0.00 C ATOM 947 O GLN A 62 1.620 0.609 5.597 1.00 0.00 O ATOM 948 CB GLN A 62 0.598 -0.661 8.230 1.00 0.00 C ATOM 949 CG GLN A 62 0.838 -0.698 9.767 1.00 0.00 C ATOM 950 CD GLN A 62 1.132 -2.059 10.424 1.00 0.00 C ATOM 951 OE1 GLN A 62 1.875 -2.101 11.393 1.00 0.00 O ATOM 952 NE2 GLN A 62 0.528 -3.144 10.030 1.00 0.00 N ATOM 0 H GLN A 62 -0.988 1.301 8.752 1.00 0.00 H new ATOM 0 HA GLN A 62 1.797 0.955 8.009 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.402 -1.026 7.995 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.305 -1.317 7.722 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.673 -0.033 9.990 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.043 -0.277 10.252 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.094 -3.117 9.222 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.677 -4.021 10.530 1.00 0.00 H new ATOM 961 N LEU A 63 -0.313 1.577 5.803 1.00 0.00 N ATOM 962 CA LEU A 63 -0.414 2.090 4.485 1.00 0.00 C ATOM 963 C LEU A 63 0.459 3.319 4.280 1.00 0.00 C ATOM 964 O LEU A 63 1.089 3.369 3.359 1.00 0.00 O ATOM 965 CB LEU A 63 -1.835 2.327 4.104 1.00 0.00 C ATOM 966 CG LEU A 63 -2.112 3.271 3.035 1.00 0.00 C ATOM 967 CD1 LEU A 63 -1.428 2.836 1.831 1.00 0.00 C ATOM 968 CD2 LEU A 63 -3.492 3.218 2.782 1.00 0.00 C ATOM 0 H LEU A 63 -1.150 1.741 6.362 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.026 1.329 3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.268 1.368 3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.366 2.666 4.993 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.786 4.273 3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.631 3.539 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.355 2.796 2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.784 1.846 1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.742 3.915 1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.768 2.207 2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.038 3.490 3.685 1.00 0.00 H new ATOM 980 N ILE A 64 0.440 4.324 5.151 1.00 0.00 N ATOM 981 CA ILE A 64 1.434 5.445 5.108 1.00 0.00 C ATOM 982 C ILE A 64 2.760 4.851 5.064 1.00 0.00 C ATOM 983 O ILE A 64 3.558 5.271 4.333 1.00 0.00 O ATOM 984 CB ILE A 64 1.392 6.395 6.382 1.00 0.00 C ATOM 985 CG1 ILE A 64 0.293 7.444 6.345 1.00 0.00 C ATOM 986 CG2 ILE A 64 2.748 6.943 6.835 1.00 0.00 C ATOM 987 CD1 ILE A 64 0.355 8.510 7.433 1.00 0.00 C ATOM 0 H ILE A 64 -0.244 4.405 5.903 1.00 0.00 H new ATOM 0 HA ILE A 64 1.192 6.054 4.237 1.00 0.00 H new ATOM 0 HB ILE A 64 1.106 5.714 7.183 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.323 7.940 5.375 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.669 6.937 6.414 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.610 7.579 7.710 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.409 6.114 7.089 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.192 7.527 6.029 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.476 9.204 7.310 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.289 8.035 8.412 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.297 9.054 7.356 1.00 0.00 H new ATOM 999 N ALA A 65 2.964 3.892 5.893 1.00 0.00 N ATOM 1000 CA ALA A 65 4.151 3.171 5.906 1.00 0.00 C ATOM 1001 C ALA A 65 4.394 2.600 4.522 1.00 0.00 C ATOM 1002 O ALA A 65 5.294 2.998 3.837 1.00 0.00 O ATOM 1003 CB ALA A 65 4.022 2.076 6.890 1.00 0.00 C ATOM 0 H ALA A 65 2.284 3.592 6.592 1.00 0.00 H new ATOM 0 HA ALA A 65 4.989 3.812 6.180 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.946 1.498 6.914 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.830 2.495 7.878 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.195 1.426 6.605 1.00 0.00 H new ATOM 1009 N LEU A 66 3.498 1.762 4.122 1.00 0.00 N ATOM 1010 CA LEU A 66 3.498 1.118 2.861 1.00 0.00 C ATOM 1011 C LEU A 66 3.695 2.102 1.670 1.00 0.00 C ATOM 1012 O LEU A 66 4.599 1.941 0.855 1.00 0.00 O ATOM 1013 CB LEU A 66 2.199 0.338 2.749 1.00 0.00 C ATOM 1014 CG LEU A 66 1.865 -0.203 1.418 1.00 0.00 C ATOM 1015 CD1 LEU A 66 2.625 -1.377 1.184 1.00 0.00 C ATOM 1016 CD2 LEU A 66 0.407 -0.504 1.173 1.00 0.00 C ATOM 0 H LEU A 66 2.703 1.496 4.703 1.00 0.00 H new ATOM 0 HA LEU A 66 4.353 0.445 2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.239 -0.492 3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.383 0.987 3.067 1.00 0.00 H new ATOM 0 HG LEU A 66 2.112 0.598 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.380 -1.779 0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.687 -1.137 1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.392 -2.119 1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.281 -0.896 0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.062 -1.244 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.177 0.410 1.283 1.00 0.00 H new ATOM 1028 N ALA A 67 2.858 3.099 1.623 1.00 0.00 N ATOM 1029 CA ALA A 67 2.831 4.129 0.667 1.00 0.00 C ATOM 1030 C ALA A 67 4.068 5.001 0.715 1.00 0.00 C ATOM 1031 O ALA A 67 4.637 5.300 -0.315 1.00 0.00 O ATOM 1032 CB ALA A 67 1.570 4.958 0.848 1.00 0.00 C ATOM 0 H ALA A 67 2.121 3.205 2.320 1.00 0.00 H new ATOM 0 HA ALA A 67 2.823 3.667 -0.320 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.550 5.756 0.106 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.695 4.321 0.720 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.560 5.391 1.848 1.00 0.00 H new ATOM 1038 N ALA A 68 4.449 5.455 1.894 1.00 0.00 N ATOM 1039 CA ALA A 68 5.634 6.297 2.054 1.00 0.00 C ATOM 1040 C ALA A 68 6.874 5.617 1.735 1.00 0.00 C ATOM 1041 O ALA A 68 7.724 6.173 1.117 1.00 0.00 O ATOM 1042 CB ALA A 68 5.787 6.858 3.415 1.00 0.00 C ATOM 0 H ALA A 68 3.956 5.257 2.764 1.00 0.00 H new ATOM 0 HA ALA A 68 5.455 7.102 1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.687 7.471 3.457 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.919 7.472 3.655 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.868 6.045 4.137 1.00 0.00 H new ATOM 1048 N TYR A 69 7.008 4.437 2.207 1.00 0.00 N ATOM 1049 CA TYR A 69 8.137 3.674 1.980 1.00 0.00 C ATOM 1050 C TYR A 69 8.157 3.263 0.501 1.00 0.00 C ATOM 1051 O TYR A 69 9.217 3.097 -0.102 1.00 0.00 O ATOM 1052 CB TYR A 69 8.109 2.561 3.008 1.00 0.00 C ATOM 1053 CG TYR A 69 8.172 3.091 4.468 1.00 0.00 C ATOM 1054 CD1 TYR A 69 8.724 4.340 4.760 1.00 0.00 C ATOM 1055 CD2 TYR A 69 7.663 2.362 5.520 1.00 0.00 C ATOM 1056 CE1 TYR A 69 8.770 4.830 6.038 1.00 0.00 C ATOM 1057 CE2 TYR A 69 7.704 2.865 6.808 1.00 0.00 C ATOM 1058 CZ TYR A 69 8.256 4.089 7.057 1.00 0.00 C ATOM 1059 OH TYR A 69 8.285 4.577 8.345 1.00 0.00 O ATOM 0 H TYR A 69 6.302 3.975 2.779 1.00 0.00 H new ATOM 0 HA TYR A 69 9.086 4.193 2.119 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.200 1.974 2.878 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.949 1.889 2.833 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.126 4.937 3.955 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.229 1.390 5.338 1.00 0.00 H new ATOM 0 HE1 TYR A 69 9.210 5.796 6.235 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.296 2.285 7.623 1.00 0.00 H new ATOM 0 HH TYR A 69 7.877 3.924 8.951 1.00 0.00 H new ATOM 1069 N HIS A 70 6.956 3.154 -0.079 1.00 0.00 N ATOM 1070 CA HIS A 70 6.798 3.075 -1.576 1.00 0.00 C ATOM 1071 C HIS A 70 7.395 4.290 -2.199 1.00 0.00 C ATOM 1072 O HIS A 70 8.226 4.196 -3.059 1.00 0.00 O ATOM 1073 CB HIS A 70 5.305 3.038 -2.068 1.00 0.00 C ATOM 1074 CG HIS A 70 5.102 3.242 -3.573 1.00 0.00 C ATOM 1075 ND1 HIS A 70 5.546 2.382 -4.561 1.00 0.00 N ATOM 1076 CD2 HIS A 70 4.485 4.260 -4.226 1.00 0.00 C ATOM 1077 CE1 HIS A 70 5.210 2.861 -5.737 1.00 0.00 C ATOM 1078 NE2 HIS A 70 4.565 4.002 -5.561 1.00 0.00 N ATOM 0 H HIS A 70 6.077 3.117 0.438 1.00 0.00 H new ATOM 0 HA HIS A 70 7.287 2.145 -1.865 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.872 2.078 -1.787 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.746 3.808 -1.536 1.00 0.00 H new ATOM 0 HD1 HIS A 70 6.055 1.512 -4.401 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.016 5.119 -3.769 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.425 2.400 -6.690 1.00 0.00 H new ATOM 1087 N ALA A 71 6.865 5.410 -1.780 1.00 0.00 N ATOM 1088 CA ALA A 71 7.197 6.729 -2.239 1.00 0.00 C ATOM 1089 C ALA A 71 8.654 6.914 -2.217 1.00 0.00 C ATOM 1090 O ALA A 71 9.278 7.193 -3.213 1.00 0.00 O ATOM 1091 CB ALA A 71 6.593 7.689 -1.264 1.00 0.00 C ATOM 0 H ALA A 71 6.142 5.422 -1.061 1.00 0.00 H new ATOM 0 HA ALA A 71 6.830 6.884 -3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.819 8.710 -1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.512 7.549 -1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.007 7.509 -0.272 1.00 0.00 H new ATOM 1097 N LYS A 72 9.143 6.623 -1.081 1.00 0.00 N ATOM 1098 CA LYS A 72 10.502 6.746 -0.665 1.00 0.00 C ATOM 1099 C LYS A 72 11.440 6.124 -1.698 1.00 0.00 C ATOM 1100 O LYS A 72 12.546 6.635 -1.947 1.00 0.00 O ATOM 1101 CB LYS A 72 10.648 6.010 0.652 1.00 0.00 C ATOM 1102 CG LYS A 72 11.420 6.696 1.693 1.00 0.00 C ATOM 1103 CD LYS A 72 10.979 6.069 2.953 1.00 0.00 C ATOM 1104 CE LYS A 72 11.956 6.149 4.058 1.00 0.00 C ATOM 1105 NZ LYS A 72 12.393 7.521 4.345 1.00 0.00 N ATOM 0 H LYS A 72 8.553 6.255 -0.335 1.00 0.00 H new ATOM 0 HA LYS A 72 10.763 7.799 -0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.651 5.805 1.043 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.118 5.046 0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.492 6.570 1.541 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.222 7.768 1.693 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.050 6.542 3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.753 5.020 2.761 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.514 5.720 4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.826 5.542 3.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.983 7.525 5.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.945 7.885 3.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.561 8.126 4.495 1.00 0.00 H new ATOM 1119 N HIS A 73 10.991 5.027 -2.322 1.00 0.00 N ATOM 1120 CA HIS A 73 11.826 4.384 -3.319 1.00 0.00 C ATOM 1121 C HIS A 73 11.129 4.231 -4.742 1.00 0.00 C ATOM 1122 O HIS A 73 11.658 3.523 -5.617 1.00 0.00 O ATOM 1123 CB HIS A 73 12.373 3.028 -2.779 1.00 0.00 C ATOM 1124 CG HIS A 73 13.808 2.793 -3.101 1.00 0.00 C ATOM 1125 ND1 HIS A 73 14.769 2.579 -2.134 1.00 0.00 N ATOM 1126 CD2 HIS A 73 14.453 2.718 -4.278 1.00 0.00 C ATOM 1127 CE1 HIS A 73 15.922 2.383 -2.705 1.00 0.00 C ATOM 1128 NE2 HIS A 73 15.765 2.461 -4.003 1.00 0.00 N ATOM 0 H HIS A 73 10.086 4.586 -2.156 1.00 0.00 H new ATOM 0 HA HIS A 73 12.670 5.050 -3.497 1.00 0.00 H new ATOM 0 HB2 HIS A 73 12.242 2.998 -1.697 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.778 2.215 -3.194 1.00 0.00 H new ATOM 0 HD1 HIS A 73 14.602 2.575 -1.128 1.00 0.00 H new ATOM 0 HD2 HIS A 73 14.015 2.839 -5.258 1.00 0.00 H new ATOM 0 HE1 HIS A 73 16.853 2.188 -2.194 1.00 0.00 H new ATOM 1137 N CYS A 74 9.978 4.920 -4.994 1.00 0.00 N ATOM 1138 CA CYS A 74 9.320 4.851 -6.303 1.00 0.00 C ATOM 1139 C CYS A 74 9.757 6.113 -7.029 1.00 0.00 C ATOM 1140 O CYS A 74 10.187 7.063 -6.370 1.00 0.00 O ATOM 1141 CB CYS A 74 7.681 4.805 -6.284 1.00 0.00 C ATOM 1142 SG CYS A 74 6.960 4.622 -7.944 1.00 0.00 S ATOM 0 H CYS A 74 9.506 5.514 -4.313 1.00 0.00 H new ATOM 0 HA CYS A 74 9.611 3.912 -6.774 1.00 0.00 H new ATOM 0 HB2 CYS A 74 7.353 3.976 -5.657 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.302 5.719 -5.827 1.00 0.00 H new ATOM 0 HG CYS A 74 5.664 4.591 -7.853 1.00 0.00 H new ATOM 1148 N GLN A 75 9.666 6.172 -8.332 1.00 0.00 N ATOM 1149 CA GLN A 75 9.860 7.425 -8.940 1.00 0.00 C ATOM 1150 C GLN A 75 8.617 7.812 -9.677 1.00 0.00 C ATOM 1151 O GLN A 75 8.427 7.468 -10.844 1.00 0.00 O ATOM 1152 CB GLN A 75 11.166 7.597 -9.766 1.00 0.00 C ATOM 1153 CG GLN A 75 12.243 8.224 -8.901 1.00 0.00 C ATOM 1154 CD GLN A 75 11.811 9.644 -8.429 1.00 0.00 C ATOM 1155 OE1 GLN A 75 11.107 10.356 -9.157 1.00 0.00 O ATOM 1156 NE2 GLN A 75 12.126 10.043 -7.199 1.00 0.00 N ATOM 0 H GLN A 75 9.466 5.391 -8.957 1.00 0.00 H new ATOM 0 HA GLN A 75 10.036 8.137 -8.133 1.00 0.00 H new ATOM 0 HB2 GLN A 75 11.503 6.629 -10.137 1.00 0.00 H new ATOM 0 HB3 GLN A 75 10.976 8.224 -10.637 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.436 7.590 -8.035 1.00 0.00 H new ATOM 0 HG3 GLN A 75 13.175 8.290 -9.462 1.00 0.00 H new ATOM 0 HE21 GLN A 75 12.706 9.452 -6.604 1.00 0.00 H new ATOM 0 HE22 GLN A 75 11.787 10.940 -6.851 1.00 0.00 H new ATOM 1165 N GLU A 76 7.740 8.480 -8.957 1.00 0.00 N ATOM 1166 CA GLU A 76 6.510 8.937 -9.424 1.00 0.00 C ATOM 1167 C GLU A 76 6.134 10.036 -8.520 1.00 0.00 C ATOM 1168 O GLU A 76 6.205 9.892 -7.307 1.00 0.00 O ATOM 1169 CB GLU A 76 5.434 7.849 -9.482 1.00 0.00 C ATOM 1170 CG GLU A 76 4.049 8.434 -9.644 1.00 0.00 C ATOM 1171 CD GLU A 76 3.292 8.519 -8.354 1.00 0.00 C ATOM 1172 OE1 GLU A 76 3.150 7.495 -7.634 1.00 0.00 O ATOM 1173 OE2 GLU A 76 2.822 9.610 -8.062 1.00 0.00 O ATOM 0 H GLU A 76 7.905 8.716 -7.979 1.00 0.00 H new ATOM 0 HA GLU A 76 6.595 9.268 -10.459 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.643 7.175 -10.313 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.472 7.252 -8.571 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.131 9.431 -10.077 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.484 7.825 -10.350 1.00 0.00 H new ATOM 1180 N ASN A 77 5.847 11.128 -9.081 1.00 0.00 N ATOM 1181 CA ASN A 77 5.656 12.288 -8.325 1.00 0.00 C ATOM 1182 C ASN A 77 4.259 12.833 -8.558 1.00 0.00 C ATOM 1183 O ASN A 77 3.911 13.946 -8.152 1.00 0.00 O ATOM 1184 CB ASN A 77 6.762 13.276 -8.646 1.00 0.00 C ATOM 1185 CG ASN A 77 7.053 14.253 -7.527 1.00 0.00 C ATOM 1186 OD1 ASN A 77 7.921 14.011 -6.692 1.00 0.00 O ATOM 1187 ND2 ASN A 77 6.346 15.340 -7.493 1.00 0.00 N ATOM 0 H ASN A 77 5.736 11.248 -10.088 1.00 0.00 H new ATOM 0 HA ASN A 77 5.721 12.076 -7.258 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.673 12.724 -8.880 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.489 13.834 -9.541 1.00 0.00 H new ATOM 0 HD21 ASN A 77 6.503 16.027 -6.756 1.00 0.00 H new ATOM 0 HD22 ASN A 77 5.634 15.507 -8.203 1.00 0.00 H new ATOM 1194 N LYS A 78 3.481 12.064 -9.222 1.00 0.00 N ATOM 1195 CA LYS A 78 2.380 12.621 -9.955 1.00 0.00 C ATOM 1196 C LYS A 78 1.005 12.068 -9.678 1.00 0.00 C ATOM 1197 O LYS A 78 0.045 12.841 -9.575 1.00 0.00 O ATOM 1198 CB LYS A 78 2.688 12.414 -11.409 1.00 0.00 C ATOM 1199 CG LYS A 78 1.788 13.122 -12.358 1.00 0.00 C ATOM 1200 CD LYS A 78 2.393 13.034 -13.708 1.00 0.00 C ATOM 1201 CE LYS A 78 2.592 11.574 -14.171 1.00 0.00 C ATOM 1202 NZ LYS A 78 3.204 11.494 -15.511 1.00 0.00 N ATOM 0 H LYS A 78 3.575 11.050 -9.281 1.00 0.00 H new ATOM 0 HA LYS A 78 2.310 13.661 -9.635 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.712 12.737 -11.596 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.647 11.346 -11.623 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.796 12.670 -12.354 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.664 14.164 -12.062 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.756 13.555 -14.423 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.355 13.546 -13.706 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.223 11.050 -13.453 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.629 11.063 -14.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.319 10.496 -15.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.591 11.971 -16.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.135 11.958 -15.496 1.00 0.00 H new ATOM 1216 N CYS A 79 0.872 10.794 -9.518 1.00 0.00 N ATOM 1217 CA CYS A 79 -0.432 10.263 -9.692 1.00 0.00 C ATOM 1218 C CYS A 79 -1.256 9.709 -8.518 1.00 0.00 C ATOM 1219 O CYS A 79 -1.986 10.486 -7.861 1.00 0.00 O ATOM 1220 CB CYS A 79 -0.611 9.524 -11.050 1.00 0.00 C ATOM 1221 SG CYS A 79 0.754 8.425 -11.529 1.00 0.00 S ATOM 0 H CYS A 79 1.610 10.132 -9.279 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.980 11.205 -9.720 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.528 8.937 -11.006 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.747 10.269 -11.834 1.00 0.00 H new ATOM 0 HG CYS A 79 0.483 7.870 -12.673 1.00 0.00 H new ATOM 1227 N PRO A 80 -1.171 8.419 -8.185 1.00 0.00 N ATOM 1228 CA PRO A 80 -2.230 7.788 -7.493 1.00 0.00 C ATOM 1229 C PRO A 80 -2.127 7.528 -6.006 1.00 0.00 C ATOM 1230 O PRO A 80 -3.167 7.415 -5.342 1.00 0.00 O ATOM 1231 CB PRO A 80 -2.277 6.509 -8.311 1.00 0.00 C ATOM 1232 CG PRO A 80 -0.849 6.169 -8.666 1.00 0.00 C ATOM 1233 CD PRO A 80 -0.074 7.441 -8.435 1.00 0.00 C ATOM 0 HA PRO A 80 -3.113 8.425 -7.442 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.737 5.702 -7.741 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.877 6.646 -9.210 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -0.470 5.358 -8.044 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -0.768 5.840 -9.702 1.00 0.00 H new ATOM 0 HD2 PRO A 80 0.604 7.359 -7.585 1.00 0.00 H new ATOM 0 HD3 PRO A 80 0.530 7.715 -9.300 1.00 0.00 H new ATOM 1241 N VAL A 81 -0.973 7.479 -5.448 1.00 0.00 N ATOM 1242 CA VAL A 81 -0.918 6.928 -4.134 1.00 0.00 C ATOM 1243 C VAL A 81 -0.798 7.945 -2.994 1.00 0.00 C ATOM 1244 O VAL A 81 0.095 8.961 -3.057 1.00 0.00 O ATOM 1245 CB VAL A 81 0.135 5.756 -4.036 1.00 0.00 C ATOM 1246 CG1 VAL A 81 0.151 5.020 -2.662 1.00 0.00 C ATOM 1247 CG2 VAL A 81 -0.136 4.775 -5.138 1.00 0.00 C ATOM 0 H VAL A 81 -0.091 7.795 -5.851 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.906 6.498 -3.972 1.00 0.00 H new ATOM 0 HB VAL A 81 1.122 6.208 -4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.902 4.230 -2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.391 5.731 -1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.829 4.584 -2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.584 3.959 -5.084 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.145 4.377 -5.031 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.044 5.276 -6.102 1.00 0.00 H new ATOM 1257 N PRO A 82 -1.682 7.635 -1.879 1.00 0.00 N ATOM 1258 CA PRO A 82 -1.680 8.252 -0.565 1.00 0.00 C ATOM 1259 C PRO A 82 -0.323 8.051 -0.096 1.00 0.00 C ATOM 1260 O PRO A 82 0.344 7.207 -0.629 1.00 0.00 O ATOM 1261 CB PRO A 82 -2.669 7.426 0.278 1.00 0.00 C ATOM 1262 CG PRO A 82 -2.635 6.154 -0.413 1.00 0.00 C ATOM 1263 CD PRO A 82 -2.627 6.550 -1.860 1.00 0.00 C ATOM 0 HA PRO A 82 -1.960 9.305 -0.532 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.351 7.338 1.317 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.667 7.863 0.286 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.750 5.576 -0.149 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.501 5.540 -0.168 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.315 5.728 -2.504 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.614 6.865 -2.200 1.00 0.00 H new ATOM 1271 N PHE A 83 -0.004 8.571 0.986 1.00 0.00 N ATOM 1272 CA PHE A 83 1.286 9.138 1.158 1.00 0.00 C ATOM 1273 C PHE A 83 2.452 8.369 0.518 1.00 0.00 C ATOM 1274 O PHE A 83 3.228 7.730 1.088 1.00 0.00 O ATOM 1275 CB PHE A 83 1.528 9.359 2.609 1.00 0.00 C ATOM 1276 CG PHE A 83 0.324 9.911 3.343 1.00 0.00 C ATOM 1277 CD1 PHE A 83 -0.684 9.040 3.739 1.00 0.00 C ATOM 1278 CD2 PHE A 83 0.173 11.257 3.616 1.00 0.00 C ATOM 1279 CE1 PHE A 83 -1.794 9.474 4.376 1.00 0.00 C ATOM 1280 CE2 PHE A 83 -0.966 11.703 4.279 1.00 0.00 C ATOM 1281 CZ PHE A 83 -1.948 10.788 4.651 1.00 0.00 C ATOM 0 H PHE A 83 -0.613 8.631 1.802 1.00 0.00 H new ATOM 0 HA PHE A 83 1.270 10.080 0.609 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.823 8.415 3.068 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.365 10.047 2.729 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -0.577 7.986 3.532 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.936 11.960 3.316 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.559 8.769 4.666 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.088 12.752 4.504 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.836 11.130 5.161 1.00 0.00 H new ATOM 1291 N CYS A 84 2.471 8.750 -0.675 1.00 0.00 N ATOM 1292 CA CYS A 84 3.216 8.628 -1.838 1.00 0.00 C ATOM 1293 C CYS A 84 3.107 10.054 -2.174 1.00 0.00 C ATOM 1294 O CYS A 84 3.056 10.786 -1.223 1.00 0.00 O ATOM 1295 CB CYS A 84 2.699 7.652 -2.925 1.00 0.00 C ATOM 1296 SG CYS A 84 3.730 7.574 -4.433 1.00 0.00 S ATOM 0 H CYS A 84 1.693 9.361 -0.923 1.00 0.00 H new ATOM 0 HA CYS A 84 4.205 8.179 -1.742 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.632 6.653 -2.495 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.688 7.946 -3.207 1.00 0.00 H new ATOM 0 HG CYS A 84 2.964 7.586 -5.483 1.00 0.00 H new ATOM 1302 N LEU A 85 3.046 10.455 -3.406 1.00 0.00 N ATOM 1303 CA LEU A 85 3.525 11.821 -4.001 1.00 0.00 C ATOM 1304 C LEU A 85 3.393 13.191 -3.154 1.00 0.00 C ATOM 1305 O LEU A 85 3.662 14.276 -3.657 1.00 0.00 O ATOM 1306 CB LEU A 85 2.931 12.105 -5.429 1.00 0.00 C ATOM 1307 CG LEU A 85 1.393 12.088 -5.673 1.00 0.00 C ATOM 1308 CD1 LEU A 85 0.920 10.710 -5.960 1.00 0.00 C ATOM 1309 CD2 LEU A 85 0.650 12.632 -4.486 1.00 0.00 C ATOM 0 H LEU A 85 2.648 9.855 -4.128 1.00 0.00 H new ATOM 0 HA LEU A 85 4.593 11.604 -3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.293 13.086 -5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.371 11.376 -6.109 1.00 0.00 H new ATOM 0 HG LEU A 85 1.193 12.723 -6.536 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.157 10.722 -6.127 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.421 10.331 -6.851 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.148 10.063 -5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.421 12.608 -4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.870 12.023 -3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.962 13.660 -4.302 1.00 0.00 H new ATOM 1321 N ASN A 86 3.029 13.080 -1.937 1.00 0.00 N ATOM 1322 CA ASN A 86 3.031 14.097 -0.912 1.00 0.00 C ATOM 1323 C ASN A 86 4.285 13.809 -0.018 1.00 0.00 C ATOM 1324 O ASN A 86 4.830 14.694 0.620 1.00 0.00 O ATOM 1325 CB ASN A 86 1.742 13.989 -0.068 1.00 0.00 C ATOM 1326 CG ASN A 86 1.567 15.127 0.927 1.00 0.00 C ATOM 1327 OD1 ASN A 86 2.060 15.068 2.054 1.00 0.00 O ATOM 1328 ND2 ASN A 86 0.812 16.126 0.543 1.00 0.00 N ATOM 0 H ASN A 86 2.683 12.190 -1.577 1.00 0.00 H new ATOM 0 HA ASN A 86 3.068 15.100 -1.338 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.881 13.966 -0.736 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.750 13.043 0.473 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.614 16.892 1.186 1.00 0.00 H new ATOM 0 HD22 ASN A 86 0.422 16.138 -0.400 1.00 0.00 H new ATOM 1335 N ILE A 87 4.721 12.513 0.015 1.00 0.00 N ATOM 1336 CA ILE A 87 6.019 12.129 0.639 1.00 0.00 C ATOM 1337 C ILE A 87 7.106 12.402 -0.391 1.00 0.00 C ATOM 1338 O ILE A 87 8.282 12.587 -0.075 1.00 0.00 O ATOM 1339 CB ILE A 87 6.079 10.608 1.184 1.00 0.00 C ATOM 1340 CG1 ILE A 87 5.094 10.435 2.358 1.00 0.00 C ATOM 1341 CG2 ILE A 87 7.512 10.151 1.596 1.00 0.00 C ATOM 1342 CD1 ILE A 87 5.392 11.289 3.572 1.00 0.00 C ATOM 0 H ILE A 87 4.199 11.730 -0.378 1.00 0.00 H new ATOM 0 HA ILE A 87 6.161 12.727 1.539 1.00 0.00 H new ATOM 0 HB ILE A 87 5.786 9.963 0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 87 4.089 10.667 2.007 1.00 0.00 H new ATOM 0 HG13 ILE A 87 5.092 9.388 2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.477 9.121 1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.176 10.215 0.734 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.886 10.797 2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.646 11.098 4.343 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.382 11.043 3.956 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.363 12.342 3.292 1.00 0.00 H new ATOM 1354 N LYS A 88 6.692 12.483 -1.634 1.00 0.00 N ATOM 1355 CA LYS A 88 7.588 12.852 -2.686 1.00 0.00 C ATOM 1356 C LYS A 88 7.402 14.313 -2.968 1.00 0.00 C ATOM 1357 O LYS A 88 6.743 14.698 -3.928 1.00 0.00 O ATOM 1358 CB LYS A 88 7.346 12.061 -3.963 1.00 0.00 C ATOM 1359 CG LYS A 88 7.267 10.567 -3.766 1.00 0.00 C ATOM 1360 CD LYS A 88 8.027 9.817 -4.851 1.00 0.00 C ATOM 1361 CE LYS A 88 9.533 9.707 -4.556 1.00 0.00 C ATOM 1362 NZ LYS A 88 10.251 10.995 -4.429 1.00 0.00 N ATOM 0 H LYS A 88 5.735 12.296 -1.934 1.00 0.00 H new ATOM 0 HA LYS A 88 8.605 12.632 -2.360 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.417 12.405 -4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.147 12.280 -4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.675 10.306 -2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.223 10.254 -3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.608 8.816 -4.956 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.884 10.324 -5.805 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.665 9.144 -3.632 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.000 9.127 -5.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.274 10.818 -4.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.052 11.587 -5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.932 11.487 -3.570 1.00 0.00 H new ATOM 1376 N GLN A 89 7.853 15.120 -2.058 1.00 0.00 N ATOM 1377 CA GLN A 89 7.838 16.526 -2.259 1.00 0.00 C ATOM 1378 C GLN A 89 9.161 17.069 -1.812 1.00 0.00 C ATOM 1379 O GLN A 89 9.352 17.329 -0.621 1.00 0.00 O ATOM 1380 CB GLN A 89 6.763 17.217 -1.417 1.00 0.00 C ATOM 1381 CG GLN A 89 5.317 16.808 -1.706 1.00 0.00 C ATOM 1382 CD GLN A 89 4.286 17.605 -0.913 1.00 0.00 C ATOM 1383 OE1 GLN A 89 3.162 17.809 -1.372 1.00 0.00 O ATOM 1384 NE2 GLN A 89 4.638 18.055 0.265 1.00 0.00 N ATOM 0 H GLN A 89 8.238 14.820 -1.162 1.00 0.00 H new ATOM 0 HA GLN A 89 7.634 16.713 -3.313 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.972 17.021 -0.365 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.851 18.293 -1.564 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.119 16.932 -2.771 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.196 15.748 -1.481 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.576 17.872 0.622 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.974 18.589 0.826 1.00 0.00 H new ATOM 1393 N LYS A 90 10.079 17.217 -2.723 1.00 0.00 N ATOM 1394 CA LYS A 90 11.357 17.789 -2.435 1.00 0.00 C ATOM 1395 C LYS A 90 11.778 18.542 -3.666 1.00 0.00 C ATOM 1396 O LYS A 90 11.618 19.776 -3.716 1.00 0.00 O ATOM 1397 CB LYS A 90 12.435 16.726 -2.096 1.00 0.00 C ATOM 1398 CG LYS A 90 12.201 15.854 -0.858 1.00 0.00 C ATOM 1399 CD LYS A 90 12.189 16.663 0.435 1.00 0.00 C ATOM 1400 CE LYS A 90 13.502 17.394 0.672 1.00 0.00 C ATOM 1401 NZ LYS A 90 14.654 16.480 0.763 1.00 0.00 N ATOM 1402 OXT LYS A 90 12.174 17.886 -4.645 1.00 0.00 O ATOM 0 H LYS A 90 9.957 16.940 -3.697 1.00 0.00 H new ATOM 0 HA LYS A 90 11.268 18.429 -1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.540 16.066 -2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 90 13.388 17.241 -1.970 1.00 0.00 H new ATOM 0 HG2 LYS A 90 11.252 15.329 -0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.981 15.095 -0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.374 17.386 0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.989 15.998 1.275 1.00 0.00 H new ATOM 0 HE2 LYS A 90 13.669 18.103 -0.139 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.430 17.973 1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.497 17.012 1.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 14.452 15.736 1.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 14.827 16.046 -0.166 1.00 0.00 H new TER 1416 LYS A 90 ATOM 1417 N LEU B 1 15.851 4.937 -10.313 1.00 0.00 N ATOM 1418 CA LEU B 1 14.751 4.183 -10.884 1.00 0.00 C ATOM 1419 C LEU B 1 13.902 3.556 -9.778 1.00 0.00 C ATOM 1420 O LEU B 1 14.436 3.194 -8.720 1.00 0.00 O ATOM 1421 CB LEU B 1 15.265 3.165 -11.958 1.00 0.00 C ATOM 1422 CG LEU B 1 16.445 2.235 -11.591 1.00 0.00 C ATOM 1423 CD1 LEU B 1 16.041 1.135 -10.634 1.00 0.00 C ATOM 1424 CD2 LEU B 1 17.068 1.649 -12.844 1.00 0.00 C ATOM 0 H1 LEU B 1 16.634 4.980 -10.996 1.00 0.00 H new ATOM 0 H2 LEU B 1 15.532 5.901 -10.090 1.00 0.00 H new ATOM 0 H3 LEU B 1 16.177 4.470 -9.443 1.00 0.00 H new ATOM 0 HA LEU B 1 14.087 4.858 -11.423 1.00 0.00 H new ATOM 0 HB2 LEU B 1 14.424 2.535 -12.246 1.00 0.00 H new ATOM 0 HB3 LEU B 1 15.554 3.734 -12.842 1.00 0.00 H new ATOM 0 HG LEU B 1 17.185 2.847 -11.076 1.00 0.00 H new ATOM 0 HD11 LEU B 1 16.907 0.512 -10.410 1.00 0.00 H new ATOM 0 HD12 LEU B 1 15.663 1.576 -9.712 1.00 0.00 H new ATOM 0 HD13 LEU B 1 15.262 0.524 -11.090 1.00 0.00 H new ATOM 0 HD21 LEU B 1 17.897 0.997 -12.568 1.00 0.00 H new ATOM 0 HD22 LEU B 1 16.319 1.073 -13.388 1.00 0.00 H new ATOM 0 HD23 LEU B 1 17.437 2.455 -13.478 1.00 0.00 H new ATOM 1438 N PRO B 2 12.562 3.454 -9.982 1.00 0.00 N ATOM 1439 CA PRO B 2 11.638 2.915 -8.976 1.00 0.00 C ATOM 1440 C PRO B 2 12.014 1.504 -8.552 1.00 0.00 C ATOM 1441 O PRO B 2 11.960 0.565 -9.348 1.00 0.00 O ATOM 1442 CB PRO B 2 10.268 2.915 -9.678 1.00 0.00 C ATOM 1443 CG PRO B 2 10.566 3.073 -11.129 1.00 0.00 C ATOM 1444 CD PRO B 2 11.850 3.846 -11.210 1.00 0.00 C ATOM 0 HA PRO B 2 11.652 3.509 -8.062 1.00 0.00 H new ATOM 0 HB2 PRO B 2 9.729 1.987 -9.487 1.00 0.00 H new ATOM 0 HB3 PRO B 2 9.641 3.729 -9.315 1.00 0.00 H new ATOM 0 HG2 PRO B 2 10.665 2.102 -11.614 1.00 0.00 H new ATOM 0 HG3 PRO B 2 9.760 3.603 -11.637 1.00 0.00 H new ATOM 0 HD2 PRO B 2 12.418 3.588 -12.104 1.00 0.00 H new ATOM 0 HD3 PRO B 2 11.671 4.921 -11.245 1.00 0.00 H new ATOM 1452 N SER B 3 12.414 1.361 -7.327 1.00 0.00 N ATOM 1453 CA SER B 3 12.816 0.089 -6.830 1.00 0.00 C ATOM 1454 C SER B 3 12.042 -0.231 -5.587 1.00 0.00 C ATOM 1455 O SER B 3 12.275 0.358 -4.547 1.00 0.00 O ATOM 1456 CB SER B 3 14.309 0.086 -6.520 1.00 0.00 C ATOM 1457 OG SER B 3 15.061 0.530 -7.642 1.00 0.00 O ATOM 0 H SER B 3 12.470 2.121 -6.649 1.00 0.00 H new ATOM 0 HA SER B 3 12.615 -0.666 -7.591 1.00 0.00 H new ATOM 0 HB2 SER B 3 14.508 0.732 -5.665 1.00 0.00 H new ATOM 0 HB3 SER B 3 14.624 -0.919 -6.240 1.00 0.00 H new ATOM 0 HG SER B 3 14.874 1.478 -7.807 1.00 0.00 H new ATOM 1463 N GLN B 4 11.081 -1.097 -5.707 1.00 0.00 N ATOM 1464 CA GLN B 4 10.368 -1.545 -4.549 1.00 0.00 C ATOM 1465 C GLN B 4 11.183 -2.667 -3.949 1.00 0.00 C ATOM 1466 O GLN B 4 12.005 -3.242 -4.675 1.00 0.00 O ATOM 1467 CB GLN B 4 8.945 -1.923 -4.905 1.00 0.00 C ATOM 1468 CG GLN B 4 8.184 -0.734 -5.469 1.00 0.00 C ATOM 1469 CD GLN B 4 6.775 -1.041 -5.893 1.00 0.00 C ATOM 1470 OE1 GLN B 4 5.914 -0.187 -5.794 1.00 0.00 O ATOM 1471 NE2 GLN B 4 6.540 -2.213 -6.418 1.00 0.00 N ATOM 0 H GLN B 4 10.774 -1.506 -6.590 1.00 0.00 H new ATOM 0 HA GLN B 4 10.255 -0.760 -3.801 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.953 -2.732 -5.635 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.433 -2.298 -4.019 1.00 0.00 H new ATOM 0 HG2 GLN B 4 8.160 0.056 -4.718 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.731 -0.342 -6.326 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.289 -2.902 -6.483 1.00 0.00 H new ATOM 0 HE22 GLN B 4 5.607 -2.439 -6.763 1.00 0.00 H new ATOM 1480 N ALA B 5 10.957 -2.991 -2.658 1.00 0.00 N ATOM 1481 CA ALA B 5 11.892 -3.765 -1.856 1.00 0.00 C ATOM 1482 C ALA B 5 13.040 -2.826 -1.567 1.00 0.00 C ATOM 1483 O ALA B 5 12.885 -1.631 -1.837 1.00 0.00 O ATOM 1484 CB ALA B 5 12.323 -5.082 -2.491 1.00 0.00 C ATOM 0 H ALA B 5 10.114 -2.716 -2.153 1.00 0.00 H new ATOM 0 HA ALA B 5 11.418 -4.108 -0.936 1.00 0.00 H new ATOM 0 HB1 ALA B 5 13.019 -5.595 -1.828 1.00 0.00 H new ATOM 0 HB2 ALA B 5 11.448 -5.711 -2.655 1.00 0.00 H new ATOM 0 HB3 ALA B 5 12.811 -4.883 -3.445 1.00 0.00 H new ATOM 1490 N MET B 6 14.174 -3.316 -1.080 1.00 0.00 N ATOM 1491 CA MET B 6 15.230 -2.463 -0.565 1.00 0.00 C ATOM 1492 C MET B 6 14.635 -1.645 0.556 1.00 0.00 C ATOM 1493 O MET B 6 13.984 -0.641 0.345 1.00 0.00 O ATOM 1494 CB MET B 6 15.850 -1.596 -1.623 1.00 0.00 C ATOM 1495 CG MET B 6 16.512 -2.365 -2.757 1.00 0.00 C ATOM 1496 SD MET B 6 17.148 -1.302 -4.078 1.00 0.00 S ATOM 1497 CE MET B 6 18.401 -0.371 -3.201 1.00 0.00 C ATOM 0 H MET B 6 14.384 -4.313 -1.032 1.00 0.00 H new ATOM 0 HA MET B 6 16.051 -3.079 -0.198 1.00 0.00 H new ATOM 0 HB2 MET B 6 15.080 -0.947 -2.041 1.00 0.00 H new ATOM 0 HB3 MET B 6 16.593 -0.949 -1.156 1.00 0.00 H new ATOM 0 HG2 MET B 6 17.332 -2.958 -2.353 1.00 0.00 H new ATOM 0 HG3 MET B 6 15.791 -3.065 -3.180 1.00 0.00 H new ATOM 0 HE1 MET B 6 19.033 0.154 -3.918 1.00 0.00 H new ATOM 0 HE2 MET B 6 17.922 0.353 -2.542 1.00 0.00 H new ATOM 0 HE3 MET B 6 19.012 -1.052 -2.609 1.00 0.00 H new ATOM 1507 N ASP B 7 14.954 -2.062 1.802 1.00 0.00 N ATOM 1508 CA ASP B 7 14.349 -1.829 3.099 1.00 0.00 C ATOM 1509 C ASP B 7 13.944 -0.408 3.528 1.00 0.00 C ATOM 1510 O ASP B 7 13.801 -0.143 4.719 1.00 0.00 O ATOM 1511 CB ASP B 7 15.289 -2.456 4.185 1.00 0.00 C ATOM 1512 CG ASP B 7 15.676 -3.913 3.898 1.00 0.00 C ATOM 1513 OD1 ASP B 7 16.120 -4.182 2.748 1.00 0.00 O ATOM 1514 OD2 ASP B 7 15.543 -4.767 4.818 1.00 0.00 O ATOM 0 H ASP B 7 15.771 -2.661 1.916 1.00 0.00 H new ATOM 0 HA ASP B 7 13.371 -2.300 2.999 1.00 0.00 H new ATOM 0 HB2 ASP B 7 16.196 -1.856 4.258 1.00 0.00 H new ATOM 0 HB3 ASP B 7 14.794 -2.405 5.155 1.00 0.00 H new ATOM 1519 N ASP B 8 13.634 0.525 2.584 1.00 0.00 N ATOM 1520 CA ASP B 8 12.936 1.780 2.878 1.00 0.00 C ATOM 1521 C ASP B 8 11.529 1.440 3.294 1.00 0.00 C ATOM 1522 O ASP B 8 10.926 2.141 4.058 1.00 0.00 O ATOM 1523 CB ASP B 8 12.895 2.758 1.685 1.00 0.00 C ATOM 1524 CG ASP B 8 14.211 3.433 1.385 1.00 0.00 C ATOM 1525 OD1 ASP B 8 14.518 4.480 2.006 1.00 0.00 O ATOM 1526 OD2 ASP B 8 14.966 2.943 0.509 1.00 0.00 O ATOM 0 H ASP B 8 13.869 0.413 1.598 1.00 0.00 H new ATOM 0 HA ASP B 8 13.486 2.289 3.670 1.00 0.00 H new ATOM 0 HB2 ASP B 8 12.568 2.216 0.798 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.145 3.524 1.884 1.00 0.00 H new ATOM 1531 N LEU B 9 11.079 0.259 2.822 1.00 0.00 N ATOM 1532 CA LEU B 9 9.783 -0.464 3.142 1.00 0.00 C ATOM 1533 C LEU B 9 9.764 -0.955 4.579 1.00 0.00 C ATOM 1534 O LEU B 9 9.155 -1.965 4.924 1.00 0.00 O ATOM 1535 CB LEU B 9 9.596 -1.630 2.200 1.00 0.00 C ATOM 1536 CG LEU B 9 9.604 -1.284 0.732 1.00 0.00 C ATOM 1537 CD1 LEU B 9 9.064 -2.428 -0.079 1.00 0.00 C ATOM 1538 CD2 LEU B 9 8.811 -0.038 0.483 1.00 0.00 C ATOM 0 H LEU B 9 11.638 -0.273 2.155 1.00 0.00 H new ATOM 0 HA LEU B 9 8.963 0.243 3.014 1.00 0.00 H new ATOM 0 HB2 LEU B 9 10.385 -2.358 2.389 1.00 0.00 H new ATOM 0 HB3 LEU B 9 8.650 -2.118 2.436 1.00 0.00 H new ATOM 0 HG LEU B 9 10.634 -1.101 0.424 1.00 0.00 H new ATOM 0 HD11 LEU B 9 9.076 -2.162 -1.136 1.00 0.00 H new ATOM 0 HD12 LEU B 9 9.683 -3.311 0.081 1.00 0.00 H new ATOM 0 HD13 LEU B 9 8.041 -2.641 0.229 1.00 0.00 H new ATOM 0 HD21 LEU B 9 8.827 0.197 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU B 9 7.781 -0.192 0.805 1.00 0.00 H new ATOM 0 HD23 LEU B 9 9.247 0.789 1.044 1.00 0.00 H new ATOM 1550 N MET B 10 10.464 -0.225 5.339 1.00 0.00 N ATOM 1551 CA MET B 10 10.793 -0.393 6.697 1.00 0.00 C ATOM 1552 C MET B 10 9.652 -0.892 7.610 1.00 0.00 C ATOM 1553 O MET B 10 9.859 -1.882 8.327 1.00 0.00 O ATOM 1554 CB MET B 10 11.358 0.926 7.148 1.00 0.00 C ATOM 1555 CG MET B 10 11.898 0.946 8.534 1.00 0.00 C ATOM 1556 SD MET B 10 13.214 -0.255 8.779 1.00 0.00 S ATOM 1557 CE MET B 10 13.612 0.079 10.482 1.00 0.00 C ATOM 0 H MET B 10 10.883 0.630 4.973 1.00 0.00 H new ATOM 0 HA MET B 10 11.514 -1.206 6.786 1.00 0.00 H new ATOM 0 HB2 MET B 10 12.154 1.215 6.462 1.00 0.00 H new ATOM 0 HB3 MET B 10 10.578 1.683 7.069 1.00 0.00 H new ATOM 0 HG2 MET B 10 12.275 1.944 8.759 1.00 0.00 H new ATOM 0 HG3 MET B 10 11.091 0.744 9.238 1.00 0.00 H new ATOM 0 HE1 MET B 10 14.417 -0.582 10.804 1.00 0.00 H new ATOM 0 HE2 MET B 10 13.931 1.116 10.584 1.00 0.00 H new ATOM 0 HE3 MET B 10 12.732 -0.093 11.102 1.00 0.00 H new ATOM 1567 N LEU B 11 8.462 -0.256 7.636 1.00 0.00 N ATOM 1568 CA LEU B 11 7.476 -0.756 8.501 1.00 0.00 C ATOM 1569 C LEU B 11 6.804 -2.005 7.885 1.00 0.00 C ATOM 1570 O LEU B 11 6.611 -2.089 6.676 1.00 0.00 O ATOM 1571 CB LEU B 11 6.520 0.376 8.817 1.00 0.00 C ATOM 1572 CG LEU B 11 5.466 0.175 9.873 1.00 0.00 C ATOM 1573 CD1 LEU B 11 4.361 -0.695 9.374 1.00 0.00 C ATOM 1574 CD2 LEU B 11 6.105 -0.379 11.114 1.00 0.00 C ATOM 0 H LEU B 11 8.206 0.562 7.082 1.00 0.00 H new ATOM 0 HA LEU B 11 7.901 -1.102 9.443 1.00 0.00 H new ATOM 0 HB2 LEU B 11 7.119 1.238 9.111 1.00 0.00 H new ATOM 0 HB3 LEU B 11 6.010 0.643 7.891 1.00 0.00 H new ATOM 0 HG LEU B 11 5.014 1.136 10.119 1.00 0.00 H new ATOM 0 HD11 LEU B 11 3.615 -0.822 10.159 1.00 0.00 H new ATOM 0 HD12 LEU B 11 3.897 -0.231 8.504 1.00 0.00 H new ATOM 0 HD13 LEU B 11 4.763 -1.669 9.094 1.00 0.00 H new ATOM 0 HD21 LEU B 11 5.344 -0.526 11.881 1.00 0.00 H new ATOM 0 HD22 LEU B 11 6.578 -1.334 10.885 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.858 0.320 11.479 1.00 0.00 H new ATOM 1586 N SER B 12 6.475 -2.948 8.759 1.00 0.00 N ATOM 1587 CA SER B 12 5.881 -4.220 8.433 1.00 0.00 C ATOM 1588 C SER B 12 4.648 -4.135 7.485 1.00 0.00 C ATOM 1589 O SER B 12 3.648 -3.478 7.794 1.00 0.00 O ATOM 1590 CB SER B 12 5.529 -4.914 9.738 1.00 0.00 C ATOM 1591 OG SER B 12 4.889 -3.998 10.626 1.00 0.00 O ATOM 0 H SER B 12 6.626 -2.832 9.761 1.00 0.00 H new ATOM 0 HA SER B 12 6.612 -4.794 7.863 1.00 0.00 H new ATOM 0 HB2 SER B 12 4.872 -5.761 9.542 1.00 0.00 H new ATOM 0 HB3 SER B 12 6.432 -5.311 10.202 1.00 0.00 H new ATOM 0 HG SER B 12 4.665 -4.456 11.463 1.00 0.00 H new ATOM 1597 N PRO B 13 4.710 -4.884 6.356 1.00 0.00 N ATOM 1598 CA PRO B 13 3.651 -4.937 5.285 1.00 0.00 C ATOM 1599 C PRO B 13 2.341 -5.509 5.755 1.00 0.00 C ATOM 1600 O PRO B 13 1.302 -5.345 5.109 1.00 0.00 O ATOM 1601 CB PRO B 13 4.181 -5.988 4.341 1.00 0.00 C ATOM 1602 CG PRO B 13 5.255 -6.714 5.059 1.00 0.00 C ATOM 1603 CD PRO B 13 5.850 -5.747 6.003 1.00 0.00 C ATOM 0 HA PRO B 13 3.474 -3.932 4.902 1.00 0.00 H new ATOM 0 HB2 PRO B 13 3.387 -6.672 4.041 1.00 0.00 H new ATOM 0 HB3 PRO B 13 4.568 -5.529 3.431 1.00 0.00 H new ATOM 0 HG2 PRO B 13 4.853 -7.578 5.589 1.00 0.00 H new ATOM 0 HG3 PRO B 13 6.005 -7.088 4.362 1.00 0.00 H new ATOM 0 HD2 PRO B 13 6.267 -6.243 6.879 1.00 0.00 H new ATOM 0 HD3 PRO B 13 6.659 -5.179 5.543 1.00 0.00 H new ATOM 1611 N ASP B 14 2.438 -6.120 6.884 1.00 0.00 N ATOM 1612 CA ASP B 14 1.481 -7.042 7.491 1.00 0.00 C ATOM 1613 C ASP B 14 0.036 -6.653 7.328 1.00 0.00 C ATOM 1614 O ASP B 14 -0.811 -7.510 7.084 1.00 0.00 O ATOM 1615 CB ASP B 14 1.819 -7.180 8.976 1.00 0.00 C ATOM 1616 CG ASP B 14 0.972 -8.197 9.701 1.00 0.00 C ATOM 1617 OD1 ASP B 14 1.246 -9.414 9.568 1.00 0.00 O ATOM 1618 OD2 ASP B 14 0.083 -7.809 10.476 1.00 0.00 O ATOM 0 H ASP B 14 3.257 -5.990 7.478 1.00 0.00 H new ATOM 0 HA ASP B 14 1.580 -7.989 6.961 1.00 0.00 H new ATOM 0 HB2 ASP B 14 2.868 -7.457 9.076 1.00 0.00 H new ATOM 0 HB3 ASP B 14 1.698 -6.210 9.458 1.00 0.00 H new ATOM 1623 N ASP B 15 -0.272 -5.400 7.464 1.00 0.00 N ATOM 1624 CA ASP B 15 -1.664 -5.021 7.310 1.00 0.00 C ATOM 1625 C ASP B 15 -2.160 -4.971 5.873 1.00 0.00 C ATOM 1626 O ASP B 15 -3.126 -5.616 5.556 1.00 0.00 O ATOM 1627 CB ASP B 15 -2.119 -3.829 8.154 1.00 0.00 C ATOM 1628 CG ASP B 15 -3.639 -3.762 8.272 1.00 0.00 C ATOM 1629 OD1 ASP B 15 -4.239 -4.708 8.859 1.00 0.00 O ATOM 1630 OD2 ASP B 15 -4.250 -2.784 7.859 1.00 0.00 O ATOM 0 H ASP B 15 0.380 -4.644 7.672 1.00 0.00 H new ATOM 0 HA ASP B 15 -2.183 -5.871 7.753 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -1.680 -3.901 9.149 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -1.749 -2.906 7.708 1.00 0.00 H new ATOM 1635 N ILE B 16 -1.422 -4.323 4.974 1.00 0.00 N ATOM 1636 CA ILE B 16 -1.886 -4.037 3.660 1.00 0.00 C ATOM 1637 C ILE B 16 -1.836 -5.250 2.795 1.00 0.00 C ATOM 1638 O ILE B 16 -2.475 -5.356 1.790 1.00 0.00 O ATOM 1639 CB ILE B 16 -1.216 -2.804 3.112 1.00 0.00 C ATOM 1640 CG1 ILE B 16 0.262 -2.722 3.554 1.00 0.00 C ATOM 1641 CG2 ILE B 16 -2.008 -1.607 3.620 1.00 0.00 C ATOM 1642 CD1 ILE B 16 0.453 -2.082 4.876 1.00 0.00 C ATOM 0 H ILE B 16 -0.477 -3.987 5.161 1.00 0.00 H new ATOM 0 HA ILE B 16 -2.945 -3.779 3.687 1.00 0.00 H new ATOM 0 HB ILE B 16 -1.207 -2.827 2.022 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.680 -3.728 3.584 1.00 0.00 H new ATOM 0 HG13 ILE B 16 0.826 -2.165 2.806 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -1.557 -0.687 3.247 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -3.037 -1.676 3.268 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -1.997 -1.600 4.710 1.00 0.00 H new ATOM 0 HD11 ILE B 16 1.515 -2.060 5.120 1.00 0.00 H new ATOM 0 HD12 ILE B 16 0.066 -1.063 4.846 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -0.082 -2.651 5.636 1.00 0.00 H new ATOM 1654 N GLU B 17 -1.016 -6.103 3.234 1.00 0.00 N ATOM 1655 CA GLU B 17 -0.940 -7.525 2.808 1.00 0.00 C ATOM 1656 C GLU B 17 -2.290 -8.150 2.872 1.00 0.00 C ATOM 1657 O GLU B 17 -2.709 -8.837 1.948 1.00 0.00 O ATOM 1658 CB GLU B 17 -0.048 -8.399 3.692 1.00 0.00 C ATOM 1659 CG GLU B 17 1.417 -8.128 3.636 1.00 0.00 C ATOM 1660 CD GLU B 17 2.197 -9.215 4.344 1.00 0.00 C ATOM 1661 OE1 GLU B 17 2.223 -9.239 5.593 1.00 0.00 O ATOM 1662 OE2 GLU B 17 2.740 -10.098 3.668 1.00 0.00 O ATOM 0 H GLU B 17 -0.319 -5.868 3.941 1.00 0.00 H new ATOM 0 HA GLU B 17 -0.524 -7.487 1.801 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -0.376 -8.286 4.725 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -0.213 -9.441 3.418 1.00 0.00 H new ATOM 0 HG2 GLU B 17 1.739 -8.063 2.597 1.00 0.00 H new ATOM 0 HG3 GLU B 17 1.630 -7.164 4.097 1.00 0.00 H new ATOM 1669 N GLN B 18 -2.988 -7.892 3.937 1.00 0.00 N ATOM 1670 CA GLN B 18 -4.288 -8.442 4.100 1.00 0.00 C ATOM 1671 C GLN B 18 -5.248 -7.710 3.188 1.00 0.00 C ATOM 1672 O GLN B 18 -6.192 -8.310 2.599 1.00 0.00 O ATOM 1673 CB GLN B 18 -4.754 -8.344 5.554 1.00 0.00 C ATOM 1674 CG GLN B 18 -3.788 -8.941 6.559 1.00 0.00 C ATOM 1675 CD GLN B 18 -3.399 -10.366 6.249 1.00 0.00 C ATOM 1676 OE1 GLN B 18 -2.411 -10.612 5.556 1.00 0.00 O ATOM 1677 NE2 GLN B 18 -4.157 -11.302 6.736 1.00 0.00 N ATOM 0 H GLN B 18 -2.672 -7.301 4.706 1.00 0.00 H new ATOM 0 HA GLN B 18 -4.261 -9.499 3.837 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -4.916 -7.295 5.802 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -5.717 -8.846 5.650 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -2.888 -8.327 6.595 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -4.239 -8.904 7.551 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -4.967 -11.058 7.306 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -3.942 -12.281 6.549 1.00 0.00 H new ATOM 1686 N TRP B 19 -4.984 -6.425 2.982 1.00 0.00 N ATOM 1687 CA TRP B 19 -5.866 -5.693 2.209 1.00 0.00 C ATOM 1688 C TRP B 19 -5.648 -5.979 0.722 1.00 0.00 C ATOM 1689 O TRP B 19 -6.535 -5.861 -0.075 1.00 0.00 O ATOM 1690 CB TRP B 19 -5.861 -4.219 2.552 1.00 0.00 C ATOM 1691 CG TRP B 19 -6.284 -4.061 3.956 1.00 0.00 C ATOM 1692 CD1 TRP B 19 -5.475 -4.092 4.984 1.00 0.00 C ATOM 1693 CD2 TRP B 19 -7.614 -3.895 4.515 1.00 0.00 C ATOM 1694 NE1 TRP B 19 -6.139 -4.019 6.110 1.00 0.00 N ATOM 1695 CE2 TRP B 19 -7.442 -3.856 5.883 1.00 0.00 C ATOM 1696 CE3 TRP B 19 -8.906 -3.767 4.011 1.00 0.00 C ATOM 1697 CZ2 TRP B 19 -8.485 -3.708 6.769 1.00 0.00 C ATOM 1698 CZ3 TRP B 19 -9.954 -3.612 4.890 1.00 0.00 C ATOM 1699 CH2 TRP B 19 -9.734 -3.580 6.258 1.00 0.00 C ATOM 0 H TRP B 19 -4.178 -5.916 3.346 1.00 0.00 H new ATOM 0 HA TRP B 19 -6.876 -6.025 2.449 1.00 0.00 H new ATOM 0 HB2 TRP B 19 -4.865 -3.800 2.408 1.00 0.00 H new ATOM 0 HB3 TRP B 19 -6.535 -3.674 1.890 1.00 0.00 H new ATOM 0 HD1 TRP B 19 -4.400 -4.168 4.913 1.00 0.00 H new ATOM 0 HE1 TRP B 19 -5.716 -4.079 7.036 1.00 0.00 H new ATOM 0 HE3 TRP B 19 -9.083 -3.789 2.946 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 -8.314 -3.694 7.835 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 -10.960 -3.514 4.509 1.00 0.00 H new ATOM 0 HH2 TRP B 19 -10.571 -3.451 6.928 1.00 0.00 H new ATOM 1710 N PHE B 20 -4.462 -6.357 0.337 1.00 0.00 N ATOM 1711 CA PHE B 20 -4.265 -6.710 -0.966 1.00 0.00 C ATOM 1712 C PHE B 20 -4.688 -8.110 -1.201 1.00 0.00 C ATOM 1713 O PHE B 20 -5.354 -8.393 -2.190 1.00 0.00 O ATOM 1714 CB PHE B 20 -2.864 -6.410 -1.410 1.00 0.00 C ATOM 1715 CG PHE B 20 -1.791 -7.434 -1.295 1.00 0.00 C ATOM 1716 CD1 PHE B 20 -1.633 -8.425 -2.254 1.00 0.00 C ATOM 1717 CD2 PHE B 20 -0.919 -7.361 -0.283 1.00 0.00 C ATOM 1718 CE1 PHE B 20 -0.605 -9.331 -2.168 1.00 0.00 C ATOM 1719 CE2 PHE B 20 0.123 -8.273 -0.175 1.00 0.00 C ATOM 1720 CZ PHE B 20 0.275 -9.252 -1.121 1.00 0.00 C ATOM 0 H PHE B 20 -3.640 -6.416 0.938 1.00 0.00 H new ATOM 0 HA PHE B 20 -4.903 -6.094 -1.600 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -2.916 -6.118 -2.459 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -2.532 -5.535 -0.852 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -2.328 -8.484 -3.079 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -1.027 -6.584 0.459 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -0.491 -10.099 -2.919 1.00 0.00 H new ATOM 0 HE2 PHE B 20 0.813 -8.210 0.654 1.00 0.00 H new ATOM 0 HZ PHE B 20 1.087 -9.960 -1.042 1.00 0.00 H new ATOM 1730 N THR B 21 -4.353 -9.005 -0.309 1.00 0.00 N ATOM 1731 CA THR B 21 -4.753 -10.239 -0.462 1.00 0.00 C ATOM 1732 C THR B 21 -5.191 -10.865 0.866 1.00 0.00 C ATOM 1733 O THR B 21 -4.406 -11.273 1.728 1.00 0.00 O ATOM 1734 CB THR B 21 -3.660 -11.034 -1.206 1.00 0.00 C ATOM 1735 OG1 THR B 21 -3.752 -10.828 -2.629 1.00 0.00 O ATOM 1736 CG2 THR B 21 -3.695 -12.460 -0.861 1.00 0.00 C ATOM 0 H THR B 21 -3.790 -8.825 0.522 1.00 0.00 H new ATOM 0 HA THR B 21 -5.651 -10.265 -1.080 1.00 0.00 H new ATOM 0 HB THR B 21 -2.693 -10.653 -0.878 1.00 0.00 H new ATOM 0 HG1 THR B 21 -3.146 -10.106 -2.895 1.00 0.00 H new ATOM 0 HG21 THR B 21 -2.910 -12.985 -1.405 1.00 0.00 H new ATOM 0 HG22 THR B 21 -3.536 -12.579 0.211 1.00 0.00 H new ATOM 0 HG23 THR B 21 -4.665 -12.876 -1.132 1.00 0.00 H new ATOM 1744 N GLU B 22 -6.434 -10.705 1.054 1.00 0.00 N ATOM 1745 CA GLU B 22 -7.245 -11.604 1.740 1.00 0.00 C ATOM 1746 C GLU B 22 -8.282 -11.821 0.725 1.00 0.00 C ATOM 1747 O GLU B 22 -9.311 -11.140 0.683 1.00 0.00 O ATOM 1748 CB GLU B 22 -7.850 -11.125 3.026 1.00 0.00 C ATOM 1749 CG GLU B 22 -6.862 -10.934 4.132 1.00 0.00 C ATOM 1750 CD GLU B 22 -7.531 -10.641 5.437 1.00 0.00 C ATOM 1751 OE1 GLU B 22 -7.987 -9.505 5.654 1.00 0.00 O ATOM 1752 OE2 GLU B 22 -7.618 -11.545 6.281 1.00 0.00 O ATOM 0 H GLU B 22 -6.941 -9.890 0.710 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.685 -12.472 2.088 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -8.363 -10.180 2.844 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -8.606 -11.841 3.348 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -6.251 -11.831 4.231 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -6.188 -10.116 3.879 1.00 0.00 H new ATOM 1759 N ASP B 23 -7.894 -12.604 -0.180 1.00 0.00 N ATOM 1760 CA ASP B 23 -8.565 -12.785 -1.418 1.00 0.00 C ATOM 1761 C ASP B 23 -9.422 -14.010 -1.362 1.00 0.00 C ATOM 1762 O ASP B 23 -8.922 -15.117 -1.140 1.00 0.00 O ATOM 1763 CB ASP B 23 -7.518 -12.886 -2.531 1.00 0.00 C ATOM 1764 CG ASP B 23 -8.104 -12.949 -3.914 1.00 0.00 C ATOM 1765 OD1 ASP B 23 -8.607 -11.921 -4.406 1.00 0.00 O ATOM 1766 OD2 ASP B 23 -8.009 -13.996 -4.571 1.00 0.00 O ATOM 0 H ASP B 23 -7.055 -13.176 -0.090 1.00 0.00 H new ATOM 0 HA ASP B 23 -9.218 -11.937 -1.623 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -6.851 -12.026 -2.468 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -6.909 -13.774 -2.364 1.00 0.00 H new ATOM 1771 N PRO B 24 -10.726 -13.837 -1.506 1.00 0.00 N ATOM 1772 CA PRO B 24 -11.667 -14.932 -1.441 1.00 0.00 C ATOM 1773 C PRO B 24 -11.534 -15.836 -2.648 1.00 0.00 C ATOM 1774 O PRO B 24 -11.211 -15.384 -3.767 1.00 0.00 O ATOM 1775 CB PRO B 24 -13.023 -14.236 -1.431 1.00 0.00 C ATOM 1776 CG PRO B 24 -12.769 -13.012 -2.194 1.00 0.00 C ATOM 1777 CD PRO B 24 -11.406 -12.558 -1.764 1.00 0.00 C ATOM 0 HA PRO B 24 -11.511 -15.573 -0.573 1.00 0.00 H new ATOM 0 HB2 PRO B 24 -13.795 -14.849 -1.896 1.00 0.00 H new ATOM 0 HB3 PRO B 24 -13.357 -14.018 -0.417 1.00 0.00 H new ATOM 0 HG2 PRO B 24 -12.801 -13.203 -3.267 1.00 0.00 H new ATOM 0 HG3 PRO B 24 -13.522 -12.253 -1.983 1.00 0.00 H new ATOM 0 HD2 PRO B 24 -10.905 -11.979 -2.540 1.00 0.00 H new ATOM 0 HD3 PRO B 24 -11.447 -11.930 -0.874 1.00 0.00 H new ATOM 1785 N GLY B 25 -11.778 -17.069 -2.426 1.00 0.00 N ATOM 1786 CA GLY B 25 -11.650 -18.057 -3.437 1.00 0.00 C ATOM 1787 C GLY B 25 -11.285 -19.363 -2.828 1.00 0.00 C ATOM 1788 O GLY B 25 -10.086 -19.643 -2.677 1.00 0.00 O ATOM 1789 OXT GLY B 25 -12.187 -20.122 -2.461 1.00 0.00 O ATOM 0 H GLY B 25 -12.078 -17.433 -1.522 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -12.587 -18.151 -3.986 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -10.888 -17.756 -4.157 1.00 0.00 H new TER 1793 GLY B 25