USER MOD reduce.3.24.130724 H: found=0, std=0, add=1373, rem=0, adj=68 USER MOD reduce.3.24.130724 removed 1371 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: B 47 MET CE :methyl 151:sc= -0.156 (180deg=-0.4) USER MOD Set 1.2: B 83 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: B 62 ASN : amide:sc= 0.567 K(o=0.95,f=-0.075) USER MOD Set 2.2: B 65 GLN : amide:sc= 0.383 K(o=0.95,f=-0.075) USER MOD Set 3.1: B 58 SER OG : rot 132:sc= 2.02 USER MOD Set 3.2: B 61 LYS NZ :NH3+ -143:sc= 1.19 (180deg=0) USER MOD Set 4.1: A 80 CYS SG : rot 180:sc= 0.81 USER MOD Set 4.2: A 84 ASN : amide:sc= 0.832 K(o=1.6,f=-1.1!) USER MOD Set 5.1: A 73 SER OG : rot 179:sc= 0.479 USER MOD Set 5.2: A 77 THR OG1 : rot 90:sc= 1.04 USER MOD Set 5.3: B 73 SER OG : rot -72:sc= 0.0202 USER MOD Set 5.4: B 77 THR OG1 : rot 84:sc= 1.67 USER MOD Set 6.1: A 35 LYS NZ :NH3+ 149:sc= 1.91 (180deg=0.459) USER MOD Set 6.2: A 63 SER OG : rot 71:sc= 1.76 USER MOD Set 7.1: A 58 SER OG : rot 180:sc= 0 USER MOD Set 7.2: A 61 LYS NZ :NH3+ 180:sc=-0.00644 (180deg=-0.00644) USER MOD Set 8.1: A 25 SER OG : rot 170:sc= 1.42 USER MOD Set 8.2: A 28 THR OG1 : rot 123:sc= 2.21 USER MOD Set 9.1: A 17 HIS : no HE2:sc= 0.65 K(o=1.8,f=-5.9!) USER MOD Set 9.2: A 26 LYS NZ :NH3+ -177:sc= 1.15 (180deg=-0.0427) USER MOD Set10.1: A 15 THR OG1 : rot -81:sc= 1.21 USER MOD Set10.2: A 72 TYR OH : rot 169:sc= 0.195 USER MOD Set11.1: A 12 MET CE :methyl 147:sc= -0.376 (180deg=-1.84) USER MOD Set11.2: B 12 MET CE :methyl 146:sc= -0.115 (180deg=-0.977) USER MOD Single : A 3 THR OG1 : rot 144:sc= 1.73 USER MOD Single : A 7 LYS NZ :NH3+ -178:sc= 1.35 (180deg=1.26) USER MOD Single : A 10 THR OG1 : rot 70:sc= 0.944 USER MOD Single : A 11 THR OG1 : rot 41:sc= 0.852 USER MOD Single : A 14 THR OG1 : rot 97:sc= 1.24 USER MOD Single : A 18 LYS NZ :NH3+ 150:sc= 0.45 (180deg=-0.519!) USER MOD Single : A 19 TYR OH : rot -180:sc= 1.14 USER MOD Single : A 20 SER OG : rot 176:sc= 0.786 USER MOD Single : A 30 SER OG : rot 98:sc= 0.763 USER MOD Single : A 32 LYS NZ :NH3+ 149:sc= 2.47 (180deg=2.43) USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= 1.99 (180deg=1.78) USER MOD Single : A 40 LYS NZ :NH3+ 175:sc= 0.789 (180deg=0.686) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 165:sc= -0.301 (180deg=-0.571) USER MOD Single : A 50 SER OG : rot -111:sc= 0.432 USER MOD Single : A 51 SER OG : rot 168:sc= 0.922 USER MOD Single : A 56 MET CE :methyl 158:sc= -1.74 (180deg=-3.23!) USER MOD Single : A 57 LYS NZ :NH3+ 172:sc= 1.27 (180deg=1.22) USER MOD Single : A 62 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.3) USER MOD Single : A 65 GLN : amide:sc= 1.21 K(o=1.2,f=-0.031) USER MOD Single : A 70 LYS NZ :NH3+ -113:sc= 1.36 (180deg=-2.62!) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 169:sc= -0.248 (180deg=-0.546) USER MOD Single : A 83 TYR OH : rot 150:sc= 0 USER MOD Single : B 3 THR OG1 : rot 117:sc= 1.16 USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 1.82 (180deg=1.82) USER MOD Single : B 10 THR OG1 : rot 84:sc= 1.25 USER MOD Single : B 11 THR OG1 : rot 101:sc= 1.25 USER MOD Single : B 14 THR OG1 : rot 84:sc= 1.21 USER MOD Single : B 15 THR OG1 : rot 83:sc= 1.23 USER MOD Single : B 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 18 LYS NZ :NH3+ -142:sc= 2.09 (180deg=0.655) USER MOD Single : B 19 TYR OH : rot 30:sc= 0 USER MOD Single : B 20 SER OG : rot -150:sc= 0.609 USER MOD Single : B 25 SER OG : rot 158:sc= 1.31 USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 THR OG1 : rot 123:sc= 0.958 USER MOD Single : B 30 SER OG : rot -129:sc= 1.82 USER MOD Single : B 32 LYS NZ :NH3+ 144:sc= 1.02 (180deg=-1.41!) USER MOD Single : B 35 LYS NZ :NH3+ 169:sc= 1.23 (180deg=1.16) USER MOD Single : B 39 LYS NZ :NH3+ -153:sc= 0.74! (180deg=-0.182!) USER MOD Single : B 40 LYS NZ :NH3+ 153:sc= -0.368 (180deg=-1.88!) USER MOD Single : B 43 CYS SG : rot -43:sc= -0.14 USER MOD Single : B 48 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.296) USER MOD Single : B 50 SER OG : rot 180:sc= 0.00889 USER MOD Single : B 51 SER OG : rot -9:sc= 1.21 USER MOD Single : B 56 MET CE :methyl -163:sc= -0.317 (180deg=-0.577) USER MOD Single : B 57 LYS NZ :NH3+ -126:sc= 1.27 (180deg=-0.151) USER MOD Single : B 63 SER OG : rot 97:sc= 1.21 USER MOD Single : B 70 LYS NZ :NH3+ -111:sc= 1.15 (180deg=-0.075) USER MOD Single : B 72 TYR OH : rot 30:sc= 0 USER MOD Single : B 78 MET CE :methyl 168:sc= -0.131 (180deg=-0.371) USER MOD Single : B 80 CYS SG : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl 168:sc= -0.18 (180deg=-0.659) USER MOD Single : B 84 ASN : amide:sc= -0.0875 K(o=-0.088,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 10.257 4.652 21.779 1.00 2.04 N ATOM 18 CA GLU A 2 9.387 4.122 20.721 1.00 1.42 C ATOM 19 C GLU A 2 8.605 5.324 20.192 1.00 1.37 C ATOM 20 O GLU A 2 8.105 6.113 21.004 1.00 1.76 O ATOM 21 CB GLU A 2 8.453 3.032 21.290 1.00 2.37 C ATOM 22 CG GLU A 2 7.187 2.809 20.443 1.00 4.00 C ATOM 23 CD GLU A 2 6.526 1.461 20.705 1.00 4.71 C ATOM 24 OE1 GLU A 2 7.220 0.439 20.489 1.00 4.95 O ATOM 25 OE2 GLU A 2 5.318 1.458 21.005 1.00 5.78 O ATOM 0 HA GLU A 2 9.952 3.646 19.920 1.00 1.42 H new ATOM 0 HB2 GLU A 2 9.003 2.094 21.362 1.00 2.37 H new ATOM 0 HB3 GLU A 2 8.160 3.308 22.303 1.00 2.37 H new ATOM 0 HG2 GLU A 2 6.472 3.605 20.652 1.00 4.00 H new ATOM 0 HG3 GLU A 2 7.446 2.882 19.387 1.00 4.00 H new ATOM 32 N THR A 3 8.542 5.505 18.870 1.00 1.34 N ATOM 33 CA THR A 3 7.794 6.606 18.254 1.00 1.47 C ATOM 34 C THR A 3 6.613 5.994 17.505 1.00 1.50 C ATOM 35 O THR A 3 6.765 4.937 16.896 1.00 1.71 O ATOM 36 CB THR A 3 8.667 7.541 17.385 1.00 1.62 C ATOM 37 OG1 THR A 3 8.356 7.444 16.014 1.00 1.81 O ATOM 38 CG2 THR A 3 10.176 7.364 17.575 1.00 2.12 C ATOM 0 H THR A 3 9.006 4.895 18.198 1.00 1.34 H new ATOM 0 HA THR A 3 7.425 7.277 19.030 1.00 1.47 H new ATOM 0 HB THR A 3 8.414 8.537 17.747 1.00 1.62 H new ATOM 0 HG1 THR A 3 8.434 8.328 15.597 1.00 1.81 H new ATOM 0 HG21 THR A 3 10.708 8.060 16.927 1.00 2.12 H new ATOM 0 HG22 THR A 3 10.438 7.564 18.614 1.00 2.12 H new ATOM 0 HG23 THR A 3 10.457 6.342 17.320 1.00 2.12 H new ATOM 46 N PRO A 4 5.428 6.620 17.508 1.00 1.44 N ATOM 47 CA PRO A 4 4.293 6.050 16.801 1.00 1.62 C ATOM 48 C PRO A 4 4.504 6.139 15.280 1.00 1.47 C ATOM 49 O PRO A 4 3.955 5.328 14.545 1.00 1.61 O ATOM 50 CB PRO A 4 3.090 6.873 17.274 1.00 1.78 C ATOM 51 CG PRO A 4 3.698 8.244 17.578 1.00 1.67 C ATOM 52 CD PRO A 4 5.085 7.897 18.118 1.00 1.47 C ATOM 0 HA PRO A 4 4.150 4.990 17.009 1.00 1.62 H new ATOM 0 HB2 PRO A 4 2.319 6.936 16.506 1.00 1.78 H new ATOM 0 HB3 PRO A 4 2.625 6.435 18.157 1.00 1.78 H new ATOM 0 HG2 PRO A 4 3.757 8.866 16.685 1.00 1.67 H new ATOM 0 HG3 PRO A 4 3.106 8.794 18.310 1.00 1.67 H new ATOM 0 HD2 PRO A 4 5.812 8.666 17.856 1.00 1.47 H new ATOM 0 HD3 PRO A 4 5.076 7.823 19.205 1.00 1.47 H new ATOM 60 N LEU A 5 5.330 7.068 14.773 1.00 1.29 N ATOM 61 CA LEU A 5 5.648 7.098 13.350 1.00 1.25 C ATOM 62 C LEU A 5 6.601 5.972 12.950 1.00 1.36 C ATOM 63 O LEU A 5 6.348 5.353 11.919 1.00 1.46 O ATOM 64 CB LEU A 5 6.148 8.485 12.944 1.00 1.13 C ATOM 65 CG LEU A 5 6.151 8.660 11.410 1.00 1.25 C ATOM 66 CD1 LEU A 5 5.581 10.025 11.017 1.00 2.14 C ATOM 67 CD2 LEU A 5 7.555 8.495 10.820 1.00 2.23 C ATOM 0 H LEU A 5 5.781 7.797 15.325 1.00 1.29 H new ATOM 0 HA LEU A 5 4.732 6.911 12.789 1.00 1.25 H new ATOM 0 HB2 LEU A 5 5.515 9.248 13.397 1.00 1.13 H new ATOM 0 HB3 LEU A 5 7.156 8.637 13.330 1.00 1.13 H new ATOM 0 HG LEU A 5 5.517 7.875 10.999 1.00 1.25 H new ATOM 0 HD11 LEU A 5 5.593 10.126 9.932 1.00 2.14 H new ATOM 0 HD12 LEU A 5 4.556 10.109 11.378 1.00 2.14 H new ATOM 0 HD13 LEU A 5 6.188 10.814 11.461 1.00 2.14 H new ATOM 0 HD21 LEU A 5 7.513 8.626 9.739 1.00 2.23 H new ATOM 0 HD22 LEU A 5 8.221 9.243 11.250 1.00 2.23 H new ATOM 0 HD23 LEU A 5 7.932 7.499 11.051 1.00 2.23 H new ATOM 79 N GLU A 6 7.603 5.592 13.753 1.00 1.43 N ATOM 80 CA GLU A 6 8.310 4.326 13.483 1.00 1.64 C ATOM 81 C GLU A 6 7.385 3.112 13.641 1.00 1.57 C ATOM 82 O GLU A 6 7.500 2.131 12.896 1.00 1.61 O ATOM 83 CB GLU A 6 9.650 4.203 14.232 1.00 2.15 C ATOM 84 CG GLU A 6 9.677 4.173 15.753 1.00 1.70 C ATOM 85 CD GLU A 6 9.232 2.871 16.412 1.00 2.11 C ATOM 86 OE1 GLU A 6 8.954 1.864 15.730 1.00 2.97 O ATOM 87 OE2 GLU A 6 9.208 2.863 17.662 1.00 3.18 O ATOM 0 H GLU A 6 7.935 6.115 14.563 1.00 1.43 H new ATOM 0 HA GLU A 6 8.599 4.343 12.432 1.00 1.64 H new ATOM 0 HB2 GLU A 6 10.133 3.291 13.882 1.00 2.15 H new ATOM 0 HB3 GLU A 6 10.276 5.037 13.914 1.00 2.15 H new ATOM 0 HG2 GLU A 6 10.693 4.393 16.081 1.00 1.70 H new ATOM 0 HG3 GLU A 6 9.041 4.978 16.122 1.00 1.70 H new ATOM 94 N LYS A 7 6.359 3.207 14.496 1.00 1.51 N ATOM 95 CA LYS A 7 5.348 2.162 14.609 1.00 1.49 C ATOM 96 C LYS A 7 4.488 2.071 13.348 1.00 1.34 C ATOM 97 O LYS A 7 4.100 0.973 12.971 1.00 1.46 O ATOM 98 CB LYS A 7 4.499 2.364 15.862 1.00 1.61 C ATOM 99 CG LYS A 7 5.279 2.074 17.153 1.00 2.15 C ATOM 100 CD LYS A 7 5.462 0.568 17.337 1.00 2.66 C ATOM 101 CE LYS A 7 6.836 -0.001 16.953 1.00 4.33 C ATOM 102 NZ LYS A 7 7.912 0.422 17.867 1.00 4.63 N ATOM 0 H LYS A 7 6.212 4.001 15.119 1.00 1.51 H new ATOM 0 HA LYS A 7 5.863 1.206 14.708 1.00 1.49 H new ATOM 0 HB2 LYS A 7 4.131 3.390 15.886 1.00 1.61 H new ATOM 0 HB3 LYS A 7 3.626 1.713 15.815 1.00 1.61 H new ATOM 0 HG2 LYS A 7 6.252 2.563 17.115 1.00 2.15 H new ATOM 0 HG3 LYS A 7 4.746 2.489 18.008 1.00 2.15 H new ATOM 0 HD2 LYS A 7 5.271 0.325 18.382 1.00 2.66 H new ATOM 0 HD3 LYS A 7 4.702 0.056 16.747 1.00 2.66 H new ATOM 0 HE2 LYS A 7 6.782 -1.090 16.944 1.00 4.33 H new ATOM 0 HE3 LYS A 7 7.083 0.315 15.939 1.00 4.33 H new ATOM 0 HZ1 LYS A 7 8.819 0.035 17.538 1.00 4.63 H new ATOM 0 HZ2 LYS A 7 7.964 1.461 17.884 1.00 4.63 H new ATOM 0 HZ3 LYS A 7 7.712 0.069 18.825 1.00 4.63 H new ATOM 116 N ALA A 8 4.267 3.188 12.644 1.00 1.14 N ATOM 117 CA ALA A 8 3.622 3.227 11.336 1.00 1.02 C ATOM 118 C ALA A 8 4.435 2.480 10.271 1.00 1.01 C ATOM 119 O ALA A 8 3.873 1.653 9.549 1.00 1.01 O ATOM 120 CB ALA A 8 3.388 4.677 10.922 1.00 1.08 C ATOM 0 H ALA A 8 4.541 4.111 12.981 1.00 1.14 H new ATOM 0 HA ALA A 8 2.663 2.716 11.417 1.00 1.02 H new ATOM 0 HB1 ALA A 8 2.906 4.703 9.945 1.00 1.08 H new ATOM 0 HB2 ALA A 8 2.747 5.166 11.656 1.00 1.08 H new ATOM 0 HB3 ALA A 8 4.343 5.199 10.870 1.00 1.08 H new ATOM 126 N LEU A 9 5.759 2.686 10.217 1.00 1.10 N ATOM 127 CA LEU A 9 6.650 1.859 9.396 1.00 1.14 C ATOM 128 C LEU A 9 6.586 0.391 9.846 1.00 1.10 C ATOM 129 O LEU A 9 6.465 -0.485 8.985 1.00 1.08 O ATOM 130 CB LEU A 9 8.110 2.372 9.439 1.00 1.30 C ATOM 131 CG LEU A 9 8.474 3.585 8.555 1.00 1.25 C ATOM 132 CD1 LEU A 9 8.138 3.355 7.073 1.00 1.31 C ATOM 133 CD2 LEU A 9 7.833 4.884 9.049 1.00 1.19 C ATOM 0 H LEU A 9 6.237 3.423 10.736 1.00 1.10 H new ATOM 0 HA LEU A 9 6.305 1.929 8.364 1.00 1.14 H new ATOM 0 HB2 LEU A 9 8.345 2.628 10.472 1.00 1.30 H new ATOM 0 HB3 LEU A 9 8.764 1.546 9.159 1.00 1.30 H new ATOM 0 HG LEU A 9 9.555 3.692 8.641 1.00 1.25 H new ATOM 0 HD11 LEU A 9 8.414 4.238 6.496 1.00 1.31 H new ATOM 0 HD12 LEU A 9 8.693 2.492 6.704 1.00 1.31 H new ATOM 0 HD13 LEU A 9 7.069 3.171 6.967 1.00 1.31 H new ATOM 0 HD21 LEU A 9 8.121 5.705 8.392 1.00 1.19 H new ATOM 0 HD22 LEU A 9 6.748 4.779 9.044 1.00 1.19 H new ATOM 0 HD23 LEU A 9 8.172 5.095 10.063 1.00 1.19 H new ATOM 145 N THR A 10 6.576 0.126 11.165 1.00 1.09 N ATOM 146 CA THR A 10 6.469 -1.221 11.742 1.00 1.08 C ATOM 147 C THR A 10 5.191 -1.920 11.276 1.00 0.95 C ATOM 148 O THR A 10 5.250 -3.087 10.888 1.00 0.92 O ATOM 149 CB THR A 10 6.574 -1.180 13.267 1.00 1.17 C ATOM 150 OG1 THR A 10 7.803 -0.590 13.636 1.00 1.45 O ATOM 151 CG2 THR A 10 6.577 -2.595 13.843 1.00 1.36 C ATOM 0 H THR A 10 6.644 0.859 11.871 1.00 1.09 H new ATOM 0 HA THR A 10 7.310 -1.811 11.378 1.00 1.08 H new ATOM 0 HB THR A 10 5.724 -0.614 13.647 1.00 1.17 H new ATOM 0 HG1 THR A 10 7.782 0.367 13.427 1.00 1.45 H new ATOM 0 HG21 THR A 10 6.652 -2.545 14.929 1.00 1.36 H new ATOM 0 HG22 THR A 10 5.653 -3.103 13.566 1.00 1.36 H new ATOM 0 HG23 THR A 10 7.428 -3.148 13.445 1.00 1.36 H new ATOM 159 N THR A 11 4.050 -1.222 11.210 1.00 0.95 N ATOM 160 CA THR A 11 2.800 -1.736 10.620 1.00 0.93 C ATOM 161 C THR A 11 2.920 -1.984 9.123 1.00 0.92 C ATOM 162 O THR A 11 2.442 -3.025 8.675 1.00 0.94 O ATOM 163 CB THR A 11 1.586 -0.837 10.915 1.00 0.90 C ATOM 164 OG1 THR A 11 1.948 0.503 11.055 1.00 2.39 O ATOM 165 CG2 THR A 11 0.903 -1.238 12.220 1.00 1.43 C ATOM 0 H THR A 11 3.964 -0.271 11.569 1.00 0.95 H new ATOM 0 HA THR A 11 2.628 -2.695 11.108 1.00 0.93 H new ATOM 0 HB THR A 11 0.917 -0.964 10.064 1.00 0.90 H new ATOM 0 HG1 THR A 11 2.616 0.734 10.376 1.00 2.39 H new ATOM 0 HG21 THR A 11 0.050 -0.584 12.400 1.00 1.43 H new ATOM 0 HG22 THR A 11 0.561 -2.270 12.149 1.00 1.43 H new ATOM 0 HG23 THR A 11 1.610 -1.146 13.044 1.00 1.43 H new ATOM 173 N MET A 12 3.588 -1.107 8.357 1.00 0.94 N ATOM 174 CA MET A 12 3.838 -1.337 6.920 1.00 0.94 C ATOM 175 C MET A 12 4.651 -2.620 6.704 1.00 0.94 C ATOM 176 O MET A 12 4.210 -3.481 5.941 1.00 0.92 O ATOM 177 CB MET A 12 4.568 -0.164 6.242 1.00 1.05 C ATOM 178 CG MET A 12 3.804 1.153 6.134 1.00 1.06 C ATOM 179 SD MET A 12 4.764 2.385 5.213 1.00 1.51 S ATOM 180 CE MET A 12 3.510 3.642 4.865 1.00 1.01 C ATOM 0 H MET A 12 3.967 -0.228 8.708 1.00 0.94 H new ATOM 0 HA MET A 12 2.855 -1.433 6.459 1.00 0.94 H new ATOM 0 HB2 MET A 12 5.492 0.023 6.790 1.00 1.05 H new ATOM 0 HB3 MET A 12 4.851 -0.476 5.237 1.00 1.05 H new ATOM 0 HG2 MET A 12 2.849 0.984 5.636 1.00 1.06 H new ATOM 0 HG3 MET A 12 3.581 1.531 7.132 1.00 1.06 H new ATOM 0 HE1 MET A 12 3.974 4.628 4.862 1.00 1.01 H new ATOM 0 HE2 MET A 12 3.062 3.449 3.890 1.00 1.01 H new ATOM 0 HE3 MET A 12 2.737 3.607 5.633 1.00 1.01 H new ATOM 190 N VAL A 13 5.808 -2.767 7.366 1.00 1.02 N ATOM 191 CA VAL A 13 6.653 -3.978 7.218 1.00 1.07 C ATOM 192 C VAL A 13 5.936 -5.236 7.717 1.00 1.06 C ATOM 193 O VAL A 13 6.084 -6.287 7.104 1.00 1.14 O ATOM 194 CB VAL A 13 8.047 -3.892 7.894 1.00 1.14 C ATOM 195 CG1 VAL A 13 8.937 -2.817 7.261 1.00 1.23 C ATOM 196 CG2 VAL A 13 7.956 -3.643 9.400 1.00 1.13 C ATOM 0 H VAL A 13 6.185 -2.070 8.008 1.00 1.02 H new ATOM 0 HA VAL A 13 6.827 -4.040 6.144 1.00 1.07 H new ATOM 0 HB VAL A 13 8.502 -4.869 7.730 1.00 1.14 H new ATOM 0 HG11 VAL A 13 9.901 -2.797 7.770 1.00 1.23 H new ATOM 0 HG12 VAL A 13 9.088 -3.045 6.206 1.00 1.23 H new ATOM 0 HG13 VAL A 13 8.456 -1.844 7.357 1.00 1.23 H new ATOM 0 HG21 VAL A 13 8.960 -3.592 9.822 1.00 1.13 H new ATOM 0 HG22 VAL A 13 7.437 -2.702 9.582 1.00 1.13 H new ATOM 0 HG23 VAL A 13 7.406 -4.458 9.871 1.00 1.13 H new ATOM 206 N THR A 14 5.133 -5.141 8.793 1.00 0.99 N ATOM 207 CA THR A 14 4.400 -6.288 9.355 1.00 0.98 C ATOM 208 C THR A 14 3.321 -6.783 8.400 1.00 0.98 C ATOM 209 O THR A 14 3.167 -7.997 8.259 1.00 1.12 O ATOM 210 CB THR A 14 3.809 -5.942 10.725 1.00 0.93 C ATOM 211 OG1 THR A 14 4.877 -5.643 11.577 1.00 1.04 O ATOM 212 CG2 THR A 14 3.039 -7.093 11.366 1.00 1.24 C ATOM 0 H THR A 14 4.975 -4.268 9.296 1.00 0.99 H new ATOM 0 HA THR A 14 5.113 -7.101 9.491 1.00 0.98 H new ATOM 0 HB THR A 14 3.113 -5.115 10.580 1.00 0.93 H new ATOM 0 HG1 THR A 14 5.004 -4.672 11.614 1.00 1.04 H new ATOM 0 HG21 THR A 14 2.649 -6.776 12.333 1.00 1.24 H new ATOM 0 HG22 THR A 14 2.211 -7.382 10.718 1.00 1.24 H new ATOM 0 HG23 THR A 14 3.706 -7.944 11.505 1.00 1.24 H new ATOM 220 N THR A 15 2.619 -5.870 7.719 1.00 0.92 N ATOM 221 CA THR A 15 1.615 -6.201 6.699 1.00 0.92 C ATOM 222 C THR A 15 2.251 -6.719 5.423 1.00 0.91 C ATOM 223 O THR A 15 1.780 -7.725 4.908 1.00 0.98 O ATOM 224 CB THR A 15 0.662 -5.039 6.401 1.00 0.93 C ATOM 225 OG1 THR A 15 1.309 -3.793 6.378 1.00 1.43 O ATOM 226 CG2 THR A 15 -0.435 -5.001 7.452 1.00 0.94 C ATOM 0 H THR A 15 2.733 -4.867 7.862 1.00 0.92 H new ATOM 0 HA THR A 15 1.014 -7.004 7.126 1.00 0.92 H new ATOM 0 HB THR A 15 0.250 -5.215 5.407 1.00 0.93 H new ATOM 0 HG1 THR A 15 1.433 -3.472 7.296 1.00 1.43 H new ATOM 0 HG21 THR A 15 -1.113 -4.174 7.240 1.00 0.94 H new ATOM 0 HG22 THR A 15 -0.989 -5.939 7.433 1.00 0.94 H new ATOM 0 HG23 THR A 15 0.010 -4.862 8.437 1.00 0.94 H new ATOM 234 N PHE A 16 3.348 -6.115 4.965 1.00 0.91 N ATOM 235 CA PHE A 16 4.115 -6.582 3.805 1.00 0.93 C ATOM 236 C PHE A 16 4.728 -7.979 4.022 1.00 0.96 C ATOM 237 O PHE A 16 4.658 -8.828 3.133 1.00 0.98 O ATOM 238 CB PHE A 16 5.184 -5.517 3.519 1.00 0.96 C ATOM 239 CG PHE A 16 5.975 -5.686 2.236 1.00 1.05 C ATOM 240 CD1 PHE A 16 7.082 -6.553 2.203 1.00 1.71 C ATOM 241 CD2 PHE A 16 5.658 -4.925 1.095 1.00 2.12 C ATOM 242 CE1 PHE A 16 7.877 -6.637 1.049 1.00 1.75 C ATOM 243 CE2 PHE A 16 6.485 -4.972 -0.040 1.00 2.15 C ATOM 244 CZ PHE A 16 7.601 -5.820 -0.058 1.00 1.15 C ATOM 0 H PHE A 16 3.736 -5.275 5.394 1.00 0.91 H new ATOM 0 HA PHE A 16 3.456 -6.703 2.945 1.00 0.93 H new ATOM 0 HB2 PHE A 16 4.698 -4.542 3.495 1.00 0.96 H new ATOM 0 HB3 PHE A 16 5.885 -5.503 4.354 1.00 0.96 H new ATOM 0 HD1 PHE A 16 7.321 -7.155 3.067 1.00 1.71 H new ATOM 0 HD2 PHE A 16 4.775 -4.302 1.092 1.00 2.12 H new ATOM 0 HE1 PHE A 16 8.703 -7.332 1.013 1.00 1.75 H new ATOM 0 HE2 PHE A 16 6.261 -4.355 -0.898 1.00 2.15 H new ATOM 0 HZ PHE A 16 8.248 -5.845 -0.923 1.00 1.15 H new ATOM 254 N HIS A 17 5.293 -8.246 5.209 1.00 1.00 N ATOM 255 CA HIS A 17 5.958 -9.504 5.579 1.00 0.99 C ATOM 256 C HIS A 17 5.078 -10.750 5.366 1.00 1.05 C ATOM 257 O HIS A 17 5.578 -11.795 4.957 1.00 1.09 O ATOM 258 CB HIS A 17 6.427 -9.395 7.038 1.00 1.17 C ATOM 259 CG HIS A 17 7.119 -10.614 7.598 1.00 1.55 C ATOM 260 ND1 HIS A 17 7.055 -11.047 8.906 1.00 2.19 N ATOM 261 CD2 HIS A 17 7.970 -11.461 6.942 1.00 2.21 C ATOM 262 CE1 HIS A 17 7.844 -12.126 9.028 1.00 2.59 C ATOM 263 NE2 HIS A 17 8.439 -12.408 7.859 1.00 2.47 N ATOM 0 H HIS A 17 5.299 -7.564 5.968 1.00 1.00 H new ATOM 0 HA HIS A 17 6.811 -9.644 4.915 1.00 0.99 H new ATOM 0 HB2 HIS A 17 7.105 -8.546 7.119 1.00 1.17 H new ATOM 0 HB3 HIS A 17 5.562 -9.173 7.662 1.00 1.17 H new ATOM 0 HD1 HIS A 17 6.504 -10.621 9.651 1.00 2.19 H new ATOM 0 HD2 HIS A 17 8.234 -11.408 5.896 1.00 2.21 H new ATOM 0 HE1 HIS A 17 7.981 -12.689 9.940 1.00 2.59 H new ATOM 272 N LYS A 18 3.762 -10.623 5.573 1.00 1.13 N ATOM 273 CA LYS A 18 2.787 -11.696 5.321 1.00 1.25 C ATOM 274 C LYS A 18 2.795 -12.208 3.867 1.00 1.15 C ATOM 275 O LYS A 18 2.372 -13.339 3.617 1.00 1.29 O ATOM 276 CB LYS A 18 1.384 -11.166 5.643 1.00 1.52 C ATOM 277 CG LYS A 18 1.114 -10.895 7.129 1.00 1.26 C ATOM 278 CD LYS A 18 -0.258 -10.226 7.230 1.00 2.12 C ATOM 279 CE LYS A 18 -0.757 -10.105 8.671 1.00 3.04 C ATOM 280 NZ LYS A 18 -2.109 -9.499 8.682 1.00 3.49 N ATOM 0 H LYS A 18 3.338 -9.764 5.924 1.00 1.13 H new ATOM 0 HA LYS A 18 3.066 -12.536 5.957 1.00 1.25 H new ATOM 0 HB2 LYS A 18 1.225 -10.242 5.087 1.00 1.52 H new ATOM 0 HB3 LYS A 18 0.649 -11.886 5.282 1.00 1.52 H new ATOM 0 HG2 LYS A 18 1.131 -11.825 7.698 1.00 1.26 H new ATOM 0 HG3 LYS A 18 1.887 -10.251 7.548 1.00 1.26 H new ATOM 0 HD2 LYS A 18 -0.206 -9.233 6.784 1.00 2.12 H new ATOM 0 HD3 LYS A 18 -0.980 -10.799 6.648 1.00 2.12 H new ATOM 0 HE2 LYS A 18 -0.785 -11.088 9.140 1.00 3.04 H new ATOM 0 HE3 LYS A 18 -0.069 -9.493 9.254 1.00 3.04 H new ATOM 0 HZ1 LYS A 18 -2.643 -9.856 9.500 1.00 3.49 H new ATOM 0 HZ2 LYS A 18 -2.025 -8.465 8.748 1.00 3.49 H new ATOM 0 HZ3 LYS A 18 -2.609 -9.750 7.806 1.00 3.49 H new ATOM 294 N TYR A 19 3.229 -11.376 2.915 1.00 1.01 N ATOM 295 CA TYR A 19 3.112 -11.618 1.476 1.00 1.02 C ATOM 296 C TYR A 19 4.487 -11.768 0.788 1.00 1.10 C ATOM 297 O TYR A 19 4.594 -12.505 -0.189 1.00 1.51 O ATOM 298 CB TYR A 19 2.232 -10.494 0.891 1.00 0.91 C ATOM 299 CG TYR A 19 0.860 -10.396 1.555 1.00 0.72 C ATOM 300 CD1 TYR A 19 -0.137 -11.350 1.278 1.00 1.93 C ATOM 301 CD2 TYR A 19 0.598 -9.399 2.516 1.00 1.62 C ATOM 302 CE1 TYR A 19 -1.353 -11.347 1.993 1.00 1.83 C ATOM 303 CE2 TYR A 19 -0.610 -9.392 3.239 1.00 1.72 C ATOM 304 CZ TYR A 19 -1.580 -10.392 3.011 1.00 0.64 C ATOM 305 OH TYR A 19 -2.702 -10.465 3.786 1.00 0.90 O ATOM 0 H TYR A 19 3.685 -10.490 3.132 1.00 1.01 H new ATOM 0 HA TYR A 19 2.631 -12.577 1.285 1.00 1.02 H new ATOM 0 HB2 TYR A 19 2.750 -9.541 1.001 1.00 0.91 H new ATOM 0 HB3 TYR A 19 2.100 -10.664 -0.178 1.00 0.91 H new ATOM 0 HD1 TYR A 19 0.031 -12.091 0.511 1.00 1.93 H new ATOM 0 HD2 TYR A 19 1.334 -8.630 2.700 1.00 1.62 H new ATOM 0 HE1 TYR A 19 -2.114 -12.077 1.762 1.00 1.83 H new ATOM 0 HE2 TYR A 19 -0.795 -8.619 3.970 1.00 1.72 H new ATOM 0 HH TYR A 19 -2.700 -9.730 4.435 1.00 0.90 H new ATOM 315 N SER A 20 5.564 -11.178 1.322 1.00 0.98 N ATOM 316 CA SER A 20 6.951 -11.469 0.936 1.00 1.02 C ATOM 317 C SER A 20 7.438 -12.777 1.579 1.00 1.20 C ATOM 318 O SER A 20 7.791 -13.729 0.877 1.00 1.79 O ATOM 319 CB SER A 20 7.829 -10.283 1.357 1.00 1.01 C ATOM 320 OG SER A 20 7.621 -9.911 2.709 1.00 1.57 O ATOM 0 H SER A 20 5.494 -10.469 2.051 1.00 0.98 H new ATOM 0 HA SER A 20 7.013 -11.604 -0.144 1.00 1.02 H new ATOM 0 HB2 SER A 20 8.878 -10.541 1.211 1.00 1.01 H new ATOM 0 HB3 SER A 20 7.618 -9.430 0.712 1.00 1.01 H new ATOM 0 HG SER A 20 8.248 -9.198 2.952 1.00 1.57 H new ATOM 326 N GLY A 21 7.323 -12.865 2.914 1.00 1.06 N ATOM 327 CA GLY A 21 7.693 -14.021 3.743 1.00 1.28 C ATOM 328 C GLY A 21 6.782 -15.236 3.557 1.00 1.49 C ATOM 329 O GLY A 21 6.913 -16.224 4.273 1.00 1.89 O ATOM 0 H GLY A 21 6.952 -12.095 3.470 1.00 1.06 H new ATOM 0 HA2 GLY A 21 8.718 -14.309 3.510 1.00 1.28 H new ATOM 0 HA3 GLY A 21 7.676 -13.724 4.792 1.00 1.28 H new ATOM 332 N ARG A 22 5.889 -15.179 2.563 1.00 1.62 N ATOM 333 CA ARG A 22 5.251 -16.346 1.967 1.00 1.85 C ATOM 334 C ARG A 22 6.266 -17.223 1.216 1.00 1.91 C ATOM 335 O ARG A 22 6.135 -18.446 1.232 1.00 2.34 O ATOM 336 CB ARG A 22 4.123 -15.887 1.045 1.00 2.01 C ATOM 337 CG ARG A 22 3.152 -17.058 0.849 1.00 2.66 C ATOM 338 CD ARG A 22 2.056 -16.698 -0.144 1.00 2.75 C ATOM 339 NE ARG A 22 2.570 -16.440 -1.489 1.00 2.91 N ATOM 340 CZ ARG A 22 3.201 -17.252 -2.320 1.00 3.59 C ATOM 341 NH1 ARG A 22 3.475 -18.508 -2.069 1.00 4.09 N ATOM 342 NH2 ARG A 22 3.607 -16.763 -3.462 1.00 4.85 N ATOM 0 H ARG A 22 5.587 -14.299 2.145 1.00 1.62 H new ATOM 0 HA ARG A 22 4.833 -16.964 2.762 1.00 1.85 H new ATOM 0 HB2 ARG A 22 3.604 -15.032 1.478 1.00 2.01 H new ATOM 0 HB3 ARG A 22 4.526 -15.563 0.085 1.00 2.01 H new ATOM 0 HG2 ARG A 22 3.698 -17.932 0.493 1.00 2.66 H new ATOM 0 HG3 ARG A 22 2.706 -17.329 1.806 1.00 2.66 H new ATOM 0 HD2 ARG A 22 1.330 -17.510 -0.187 1.00 2.75 H new ATOM 0 HD3 ARG A 22 1.525 -15.815 0.212 1.00 2.75 H new ATOM 0 HE ARG A 22 2.419 -15.493 -1.837 1.00 2.91 H new ATOM 0 HH11 ARG A 22 3.197 -18.923 -1.180 1.00 4.09 H new ATOM 0 HH12 ARG A 22 3.966 -19.071 -2.763 1.00 4.09 H new ATOM 0 HH21 ARG A 22 3.434 -15.784 -3.688 1.00 4.85 H new ATOM 0 HH22 ARG A 22 4.097 -17.361 -4.127 1.00 4.85 H new ATOM 356 N GLU A 23 7.254 -16.609 0.556 1.00 1.76 N ATOM 357 CA GLU A 23 8.366 -17.304 -0.109 1.00 2.08 C ATOM 358 C GLU A 23 9.726 -16.634 0.195 1.00 2.02 C ATOM 359 O GLU A 23 10.207 -16.720 1.325 1.00 2.74 O ATOM 360 CB GLU A 23 8.084 -17.520 -1.617 1.00 2.52 C ATOM 361 CG GLU A 23 6.927 -18.505 -1.852 1.00 3.37 C ATOM 362 CD GLU A 23 6.719 -18.873 -3.324 1.00 4.34 C ATOM 363 OE1 GLU A 23 7.669 -19.402 -3.933 1.00 5.15 O ATOM 364 OE2 GLU A 23 5.581 -18.669 -3.817 1.00 4.95 O ATOM 0 H GLU A 23 7.306 -15.594 0.466 1.00 1.76 H new ATOM 0 HA GLU A 23 8.443 -18.305 0.315 1.00 2.08 H new ATOM 0 HB2 GLU A 23 7.846 -16.563 -2.082 1.00 2.52 H new ATOM 0 HB3 GLU A 23 8.984 -17.895 -2.104 1.00 2.52 H new ATOM 0 HG2 GLU A 23 7.115 -19.415 -1.283 1.00 3.37 H new ATOM 0 HG3 GLU A 23 6.007 -18.070 -1.462 1.00 3.37 H new ATOM 371 N GLY A 24 10.399 -16.035 -0.798 1.00 2.08 N ATOM 372 CA GLY A 24 11.866 -15.888 -0.800 1.00 2.26 C ATOM 373 C GLY A 24 12.459 -14.594 -0.236 1.00 1.85 C ATOM 374 O GLY A 24 13.634 -14.335 -0.471 1.00 2.70 O ATOM 0 H GLY A 24 9.945 -15.639 -1.621 1.00 2.08 H new ATOM 0 HA2 GLY A 24 12.286 -16.721 -0.237 1.00 2.26 H new ATOM 0 HA3 GLY A 24 12.211 -15.993 -1.829 1.00 2.26 H new ATOM 377 N SER A 25 11.711 -13.754 0.478 1.00 1.62 N ATOM 378 CA SER A 25 12.186 -12.422 0.905 1.00 1.48 C ATOM 379 C SER A 25 11.374 -11.887 2.093 1.00 1.60 C ATOM 380 O SER A 25 10.249 -12.320 2.305 1.00 2.29 O ATOM 381 CB SER A 25 12.086 -11.458 -0.290 1.00 1.79 C ATOM 382 OG SER A 25 12.571 -10.148 -0.015 1.00 2.83 O ATOM 0 H SER A 25 10.761 -13.969 0.780 1.00 1.62 H new ATOM 0 HA SER A 25 13.221 -12.505 1.235 1.00 1.48 H new ATOM 0 HB2 SER A 25 12.646 -11.874 -1.128 1.00 1.79 H new ATOM 0 HB3 SER A 25 11.044 -11.391 -0.604 1.00 1.79 H new ATOM 0 HG SER A 25 12.623 -9.636 -0.849 1.00 2.83 H new ATOM 388 N LYS A 26 11.879 -10.917 2.870 1.00 1.44 N ATOM 389 CA LYS A 26 10.999 -10.130 3.750 1.00 1.51 C ATOM 390 C LYS A 26 10.657 -8.746 3.193 1.00 1.49 C ATOM 391 O LYS A 26 9.589 -8.232 3.517 1.00 1.93 O ATOM 392 CB LYS A 26 11.602 -9.994 5.150 1.00 1.93 C ATOM 393 CG LYS A 26 11.702 -11.337 5.887 1.00 1.98 C ATOM 394 CD LYS A 26 11.532 -11.097 7.393 1.00 3.31 C ATOM 395 CE LYS A 26 11.814 -12.305 8.279 1.00 3.66 C ATOM 396 NZ LYS A 26 11.168 -13.541 7.788 1.00 4.46 N ATOM 0 H LYS A 26 12.866 -10.662 2.909 1.00 1.44 H new ATOM 0 HA LYS A 26 10.064 -10.688 3.807 1.00 1.51 H new ATOM 0 HB2 LYS A 26 12.596 -9.553 5.071 1.00 1.93 H new ATOM 0 HB3 LYS A 26 10.994 -9.307 5.738 1.00 1.93 H new ATOM 0 HG2 LYS A 26 10.935 -12.022 5.526 1.00 1.98 H new ATOM 0 HG3 LYS A 26 12.666 -11.805 5.687 1.00 1.98 H new ATOM 0 HD2 LYS A 26 12.194 -10.285 7.692 1.00 3.31 H new ATOM 0 HD3 LYS A 26 10.512 -10.761 7.578 1.00 3.31 H new ATOM 0 HE2 LYS A 26 12.891 -12.463 8.338 1.00 3.66 H new ATOM 0 HE3 LYS A 26 11.466 -12.096 9.291 1.00 3.66 H new ATOM 0 HZ1 LYS A 26 11.351 -14.317 8.455 1.00 4.46 H new ATOM 0 HZ2 LYS A 26 10.142 -13.388 7.708 1.00 4.46 H new ATOM 0 HZ3 LYS A 26 11.555 -13.788 6.855 1.00 4.46 H new ATOM 410 N LEU A 27 11.528 -8.131 2.387 1.00 1.28 N ATOM 411 CA LEU A 27 11.466 -6.695 2.063 1.00 1.34 C ATOM 412 C LEU A 27 11.221 -6.393 0.576 1.00 0.96 C ATOM 413 O LEU A 27 10.923 -5.250 0.248 1.00 1.01 O ATOM 414 CB LEU A 27 12.742 -6.008 2.598 1.00 1.81 C ATOM 415 CG LEU A 27 12.991 -6.197 4.114 1.00 3.16 C ATOM 416 CD1 LEU A 27 14.274 -5.464 4.523 1.00 3.55 C ATOM 417 CD2 LEU A 27 11.825 -5.704 4.988 1.00 4.43 C ATOM 0 H LEU A 27 12.303 -8.616 1.936 1.00 1.28 H new ATOM 0 HA LEU A 27 10.588 -6.282 2.560 1.00 1.34 H new ATOM 0 HB2 LEU A 27 13.602 -6.394 2.051 1.00 1.81 H new ATOM 0 HB3 LEU A 27 12.681 -4.941 2.384 1.00 1.81 H new ATOM 0 HG LEU A 27 13.087 -7.270 4.282 1.00 3.16 H new ATOM 0 HD11 LEU A 27 14.446 -5.599 5.591 1.00 3.55 H new ATOM 0 HD12 LEU A 27 15.118 -5.869 3.965 1.00 3.55 H new ATOM 0 HD13 LEU A 27 14.171 -4.401 4.304 1.00 3.55 H new ATOM 0 HD21 LEU A 27 12.064 -5.866 6.039 1.00 4.43 H new ATOM 0 HD22 LEU A 27 11.663 -4.641 4.812 1.00 4.43 H new ATOM 0 HD23 LEU A 27 10.920 -6.256 4.733 1.00 4.43 H new ATOM 429 N THR A 28 11.273 -7.404 -0.299 1.00 0.82 N ATOM 430 CA THR A 28 10.763 -7.360 -1.679 1.00 0.74 C ATOM 431 C THR A 28 9.623 -8.368 -1.828 1.00 0.73 C ATOM 432 O THR A 28 9.537 -9.291 -1.014 1.00 0.85 O ATOM 433 CB THR A 28 11.868 -7.667 -2.703 1.00 0.77 C ATOM 434 OG1 THR A 28 12.348 -8.976 -2.503 1.00 0.79 O ATOM 435 CG2 THR A 28 13.056 -6.707 -2.608 1.00 0.90 C ATOM 0 H THR A 28 11.684 -8.306 -0.060 1.00 0.82 H new ATOM 0 HA THR A 28 10.400 -6.351 -1.877 1.00 0.74 H new ATOM 0 HB THR A 28 11.417 -7.551 -3.688 1.00 0.77 H new ATOM 0 HG1 THR A 28 12.255 -9.489 -3.333 1.00 0.79 H new ATOM 0 HG21 THR A 28 13.802 -6.976 -3.356 1.00 0.90 H new ATOM 0 HG22 THR A 28 12.715 -5.687 -2.786 1.00 0.90 H new ATOM 0 HG23 THR A 28 13.499 -6.773 -1.614 1.00 0.90 H new ATOM 443 N LEU A 29 8.758 -8.240 -2.844 1.00 0.66 N ATOM 444 CA LEU A 29 7.744 -9.252 -3.193 1.00 0.66 C ATOM 445 C LEU A 29 7.278 -9.081 -4.643 1.00 0.65 C ATOM 446 O LEU A 29 7.507 -8.029 -5.228 1.00 0.62 O ATOM 447 CB LEU A 29 6.588 -9.239 -2.161 1.00 0.67 C ATOM 448 CG LEU A 29 5.346 -8.353 -2.410 1.00 0.69 C ATOM 449 CD1 LEU A 29 4.492 -8.365 -1.131 1.00 0.73 C ATOM 450 CD2 LEU A 29 5.609 -6.905 -2.826 1.00 1.18 C ATOM 0 H LEU A 29 8.740 -7.423 -3.455 1.00 0.66 H new ATOM 0 HA LEU A 29 8.190 -10.245 -3.139 1.00 0.66 H new ATOM 0 HB2 LEU A 29 6.238 -10.266 -2.051 1.00 0.67 H new ATOM 0 HB3 LEU A 29 7.012 -8.942 -1.202 1.00 0.67 H new ATOM 0 HG LEU A 29 4.843 -8.791 -3.272 1.00 0.69 H new ATOM 0 HD11 LEU A 29 3.607 -7.746 -1.279 1.00 0.73 H new ATOM 0 HD12 LEU A 29 4.187 -9.387 -0.907 1.00 0.73 H new ATOM 0 HD13 LEU A 29 5.076 -7.970 -0.300 1.00 0.73 H new ATOM 0 HD21 LEU A 29 4.659 -6.390 -2.970 1.00 1.18 H new ATOM 0 HD22 LEU A 29 6.181 -6.401 -2.047 1.00 1.18 H new ATOM 0 HD23 LEU A 29 6.174 -6.891 -3.758 1.00 1.18 H new ATOM 462 N SER A 30 6.602 -10.068 -5.242 1.00 0.79 N ATOM 463 CA SER A 30 6.043 -9.853 -6.592 1.00 0.77 C ATOM 464 C SER A 30 4.825 -8.914 -6.566 1.00 0.73 C ATOM 465 O SER A 30 3.958 -8.969 -5.688 1.00 0.85 O ATOM 466 CB SER A 30 5.727 -11.157 -7.345 1.00 0.96 C ATOM 467 OG SER A 30 5.281 -10.878 -8.658 1.00 2.60 O ATOM 0 H SER A 30 6.430 -10.989 -4.839 1.00 0.79 H new ATOM 0 HA SER A 30 6.835 -9.363 -7.158 1.00 0.77 H new ATOM 0 HB2 SER A 30 6.616 -11.786 -7.383 1.00 0.96 H new ATOM 0 HB3 SER A 30 4.963 -11.718 -6.807 1.00 0.96 H new ATOM 0 HG SER A 30 6.030 -10.967 -9.284 1.00 2.60 H new ATOM 473 N ARG A 31 4.738 -8.058 -7.581 1.00 0.72 N ATOM 474 CA ARG A 31 3.717 -7.037 -7.810 1.00 0.74 C ATOM 475 C ARG A 31 2.267 -7.549 -7.687 1.00 0.74 C ATOM 476 O ARG A 31 1.414 -6.831 -7.165 1.00 0.80 O ATOM 477 CB ARG A 31 4.046 -6.504 -9.207 1.00 1.01 C ATOM 478 CG ARG A 31 3.338 -5.226 -9.674 1.00 1.55 C ATOM 479 CD ARG A 31 4.390 -4.205 -10.139 1.00 1.51 C ATOM 480 NE ARG A 31 3.786 -2.951 -10.629 1.00 2.23 N ATOM 481 CZ ARG A 31 4.164 -1.713 -10.317 1.00 2.49 C ATOM 482 NH1 ARG A 31 5.201 -1.457 -9.538 1.00 2.55 N ATOM 483 NH2 ARG A 31 3.479 -0.687 -10.776 1.00 3.42 N ATOM 0 H ARG A 31 5.436 -8.060 -8.325 1.00 0.72 H new ATOM 0 HA ARG A 31 3.747 -6.263 -7.043 1.00 0.74 H new ATOM 0 HB2 ARG A 31 5.120 -6.326 -9.252 1.00 1.01 H new ATOM 0 HB3 ARG A 31 3.822 -7.292 -9.926 1.00 1.01 H new ATOM 0 HG2 ARG A 31 2.650 -5.454 -10.488 1.00 1.55 H new ATOM 0 HG3 ARG A 31 2.743 -4.808 -8.862 1.00 1.55 H new ATOM 0 HD2 ARG A 31 5.064 -3.981 -9.312 1.00 1.51 H new ATOM 0 HD3 ARG A 31 4.994 -4.647 -10.931 1.00 1.51 H new ATOM 0 HE ARG A 31 2.999 -3.042 -11.272 1.00 2.23 H new ATOM 0 HH11 ARG A 31 5.748 -2.225 -9.149 1.00 2.55 H new ATOM 0 HH12 ARG A 31 5.454 -0.492 -9.326 1.00 2.55 H new ATOM 0 HH21 ARG A 31 2.663 -0.842 -11.368 1.00 3.42 H new ATOM 0 HH22 ARG A 31 3.764 0.263 -10.540 1.00 3.42 H new ATOM 497 N LYS A 32 1.959 -8.797 -8.078 1.00 0.74 N ATOM 498 CA LYS A 32 0.635 -9.402 -7.819 1.00 0.75 C ATOM 499 C LYS A 32 0.317 -9.618 -6.324 1.00 0.72 C ATOM 500 O LYS A 32 -0.844 -9.456 -5.945 1.00 0.83 O ATOM 501 CB LYS A 32 0.465 -10.676 -8.668 1.00 0.88 C ATOM 502 CG LYS A 32 -0.835 -11.468 -8.422 1.00 1.60 C ATOM 503 CD LYS A 32 -0.639 -12.598 -7.403 1.00 3.20 C ATOM 504 CE LYS A 32 -1.712 -12.615 -6.304 1.00 5.04 C ATOM 505 NZ LYS A 32 -1.399 -13.611 -5.253 1.00 7.03 N ATOM 0 H LYS A 32 2.606 -9.409 -8.575 1.00 0.74 H new ATOM 0 HA LYS A 32 -0.117 -8.678 -8.133 1.00 0.75 H new ATOM 0 HB2 LYS A 32 0.507 -10.398 -9.721 1.00 0.88 H new ATOM 0 HB3 LYS A 32 1.313 -11.334 -8.478 1.00 0.88 H new ATOM 0 HG2 LYS A 32 -1.610 -10.790 -8.066 1.00 1.60 H new ATOM 0 HG3 LYS A 32 -1.187 -11.887 -9.364 1.00 1.60 H new ATOM 0 HD2 LYS A 32 -0.648 -13.555 -7.925 1.00 3.20 H new ATOM 0 HD3 LYS A 32 0.343 -12.496 -6.941 1.00 3.20 H new ATOM 0 HE2 LYS A 32 -1.791 -11.625 -5.856 1.00 5.04 H new ATOM 0 HE3 LYS A 32 -2.682 -12.843 -6.745 1.00 5.04 H new ATOM 0 HZ1 LYS A 32 -1.770 -13.280 -4.340 1.00 7.03 H new ATOM 0 HZ2 LYS A 32 -1.839 -14.522 -5.496 1.00 7.03 H new ATOM 0 HZ3 LYS A 32 -0.368 -13.731 -5.185 1.00 7.03 H new ATOM 519 N GLU A 33 1.313 -9.908 -5.486 1.00 0.67 N ATOM 520 CA GLU A 33 1.136 -10.062 -4.040 1.00 0.66 C ATOM 521 C GLU A 33 0.816 -8.710 -3.380 1.00 0.63 C ATOM 522 O GLU A 33 -0.072 -8.652 -2.531 1.00 0.66 O ATOM 523 CB GLU A 33 2.373 -10.739 -3.403 1.00 0.73 C ATOM 524 CG GLU A 33 2.069 -12.081 -2.720 1.00 1.16 C ATOM 525 CD GLU A 33 1.826 -13.237 -3.692 1.00 1.91 C ATOM 526 OE1 GLU A 33 1.178 -13.001 -4.734 1.00 2.79 O ATOM 527 OE2 GLU A 33 2.213 -14.382 -3.368 1.00 2.77 O ATOM 0 H GLU A 33 2.276 -10.044 -5.794 1.00 0.67 H new ATOM 0 HA GLU A 33 0.283 -10.717 -3.865 1.00 0.66 H new ATOM 0 HB2 GLU A 33 3.125 -10.899 -4.176 1.00 0.73 H new ATOM 0 HB3 GLU A 33 2.808 -10.060 -2.670 1.00 0.73 H new ATOM 0 HG2 GLU A 33 2.901 -12.340 -2.066 1.00 1.16 H new ATOM 0 HG3 GLU A 33 1.190 -11.963 -2.086 1.00 1.16 H new ATOM 534 N LEU A 34 1.428 -7.603 -3.826 1.00 0.62 N ATOM 535 CA LEU A 34 1.002 -6.262 -3.408 1.00 0.70 C ATOM 536 C LEU A 34 -0.461 -5.996 -3.800 1.00 0.82 C ATOM 537 O LEU A 34 -1.250 -5.497 -2.996 1.00 0.94 O ATOM 538 CB LEU A 34 1.948 -5.184 -3.978 1.00 0.73 C ATOM 539 CG LEU A 34 1.487 -3.743 -3.663 1.00 1.00 C ATOM 540 CD1 LEU A 34 1.350 -3.485 -2.159 1.00 1.44 C ATOM 541 CD2 LEU A 34 2.429 -2.693 -4.258 1.00 1.07 C ATOM 0 H LEU A 34 2.216 -7.611 -4.473 1.00 0.62 H new ATOM 0 HA LEU A 34 1.060 -6.212 -2.321 1.00 0.70 H new ATOM 0 HB2 LEU A 34 2.948 -5.336 -3.572 1.00 0.73 H new ATOM 0 HB3 LEU A 34 2.020 -5.308 -5.059 1.00 0.73 H new ATOM 0 HG LEU A 34 0.505 -3.650 -4.127 1.00 1.00 H new ATOM 0 HD11 LEU A 34 1.024 -2.458 -1.994 1.00 1.44 H new ATOM 0 HD12 LEU A 34 0.615 -4.171 -1.738 1.00 1.44 H new ATOM 0 HD13 LEU A 34 2.313 -3.642 -1.674 1.00 1.44 H new ATOM 0 HD21 LEU A 34 2.065 -1.696 -4.011 1.00 1.07 H new ATOM 0 HD22 LEU A 34 3.429 -2.826 -3.846 1.00 1.07 H new ATOM 0 HD23 LEU A 34 2.464 -2.808 -5.341 1.00 1.07 H new ATOM 553 N LYS A 35 -0.853 -6.354 -5.027 1.00 0.90 N ATOM 554 CA LYS A 35 -2.239 -6.249 -5.503 1.00 1.13 C ATOM 555 C LYS A 35 -3.243 -6.986 -4.585 1.00 1.12 C ATOM 556 O LYS A 35 -4.389 -6.557 -4.468 1.00 1.41 O ATOM 557 CB LYS A 35 -2.260 -6.677 -6.993 1.00 1.29 C ATOM 558 CG LYS A 35 -3.422 -7.589 -7.419 1.00 1.91 C ATOM 559 CD LYS A 35 -3.215 -8.208 -8.809 1.00 2.40 C ATOM 560 CE LYS A 35 -3.231 -7.201 -9.964 1.00 3.21 C ATOM 561 NZ LYS A 35 -2.940 -7.887 -11.252 1.00 4.34 N ATOM 0 H LYS A 35 -0.212 -6.729 -5.726 1.00 0.90 H new ATOM 0 HA LYS A 35 -2.590 -5.219 -5.448 1.00 1.13 H new ATOM 0 HB2 LYS A 35 -2.287 -5.777 -7.608 1.00 1.29 H new ATOM 0 HB3 LYS A 35 -1.323 -7.188 -7.216 1.00 1.29 H new ATOM 0 HG2 LYS A 35 -3.540 -8.386 -6.685 1.00 1.91 H new ATOM 0 HG3 LYS A 35 -4.348 -7.014 -7.417 1.00 1.91 H new ATOM 0 HD2 LYS A 35 -2.262 -8.737 -8.819 1.00 2.40 H new ATOM 0 HD3 LYS A 35 -3.994 -8.951 -8.981 1.00 2.40 H new ATOM 0 HE2 LYS A 35 -4.204 -6.713 -10.016 1.00 3.21 H new ATOM 0 HE3 LYS A 35 -2.492 -6.420 -9.785 1.00 3.21 H new ATOM 0 HZ1 LYS A 35 -3.436 -7.399 -12.025 1.00 4.34 H new ATOM 0 HZ2 LYS A 35 -1.916 -7.869 -11.431 1.00 4.34 H new ATOM 0 HZ3 LYS A 35 -3.265 -8.874 -11.201 1.00 4.34 H new ATOM 575 N GLU A 36 -2.811 -8.071 -3.944 1.00 0.87 N ATOM 576 CA GLU A 36 -3.590 -8.835 -2.973 1.00 0.83 C ATOM 577 C GLU A 36 -3.608 -8.158 -1.588 1.00 0.76 C ATOM 578 O GLU A 36 -4.688 -7.903 -1.054 1.00 0.87 O ATOM 579 CB GLU A 36 -3.032 -10.266 -2.960 1.00 0.87 C ATOM 580 CG GLU A 36 -3.711 -11.127 -1.895 1.00 1.12 C ATOM 581 CD GLU A 36 -3.432 -12.620 -2.015 1.00 2.93 C ATOM 582 OE1 GLU A 36 -2.931 -13.071 -3.076 1.00 3.91 O ATOM 583 OE2 GLU A 36 -3.757 -13.305 -1.021 1.00 4.07 O ATOM 0 H GLU A 36 -1.878 -8.455 -4.092 1.00 0.87 H new ATOM 0 HA GLU A 36 -4.641 -8.871 -3.260 1.00 0.83 H new ATOM 0 HB2 GLU A 36 -3.173 -10.721 -3.940 1.00 0.87 H new ATOM 0 HB3 GLU A 36 -1.958 -10.236 -2.774 1.00 0.87 H new ATOM 0 HG2 GLU A 36 -3.387 -10.788 -0.911 1.00 1.12 H new ATOM 0 HG3 GLU A 36 -4.788 -10.966 -1.949 1.00 1.12 H new ATOM 590 N LEU A 37 -2.437 -7.788 -1.055 1.00 0.69 N ATOM 591 CA LEU A 37 -2.227 -7.092 0.225 1.00 0.72 C ATOM 592 C LEU A 37 -3.188 -5.900 0.410 1.00 0.79 C ATOM 593 O LEU A 37 -3.836 -5.780 1.450 1.00 0.81 O ATOM 594 CB LEU A 37 -0.723 -6.721 0.253 1.00 0.78 C ATOM 595 CG LEU A 37 -0.204 -5.640 1.221 1.00 0.91 C ATOM 596 CD1 LEU A 37 -0.553 -5.857 2.685 1.00 1.09 C ATOM 597 CD2 LEU A 37 1.327 -5.551 1.100 1.00 1.43 C ATOM 0 H LEU A 37 -1.556 -7.977 -1.533 1.00 0.69 H new ATOM 0 HA LEU A 37 -2.467 -7.723 1.081 1.00 0.72 H new ATOM 0 HB2 LEU A 37 -0.169 -7.636 0.465 1.00 0.78 H new ATOM 0 HB3 LEU A 37 -0.449 -6.409 -0.755 1.00 0.78 H new ATOM 0 HG LEU A 37 -0.706 -4.720 0.921 1.00 0.91 H new ATOM 0 HD11 LEU A 37 -0.142 -5.042 3.282 1.00 1.09 H new ATOM 0 HD12 LEU A 37 -1.637 -5.881 2.801 1.00 1.09 H new ATOM 0 HD13 LEU A 37 -0.131 -6.803 3.023 1.00 1.09 H new ATOM 0 HD21 LEU A 37 1.702 -4.788 1.782 1.00 1.43 H new ATOM 0 HD22 LEU A 37 1.769 -6.514 1.355 1.00 1.43 H new ATOM 0 HD23 LEU A 37 1.596 -5.288 0.077 1.00 1.43 H new ATOM 609 N ILE A 38 -3.353 -5.064 -0.618 1.00 0.90 N ATOM 610 CA ILE A 38 -4.222 -3.865 -0.589 1.00 1.04 C ATOM 611 C ILE A 38 -5.723 -4.194 -0.453 1.00 1.04 C ATOM 612 O ILE A 38 -6.470 -3.366 0.056 1.00 1.24 O ATOM 613 CB ILE A 38 -3.903 -2.976 -1.817 1.00 1.16 C ATOM 614 CG1 ILE A 38 -2.444 -2.468 -1.759 1.00 1.25 C ATOM 615 CG2 ILE A 38 -4.851 -1.763 -1.939 1.00 1.32 C ATOM 616 CD1 ILE A 38 -1.886 -2.199 -3.157 1.00 1.60 C ATOM 0 H ILE A 38 -2.882 -5.196 -1.513 1.00 0.90 H new ATOM 0 HA ILE A 38 -3.996 -3.303 0.317 1.00 1.04 H new ATOM 0 HB ILE A 38 -4.048 -3.607 -2.694 1.00 1.16 H new ATOM 0 HG12 ILE A 38 -2.400 -1.554 -1.167 1.00 1.25 H new ATOM 0 HG13 ILE A 38 -1.821 -3.206 -1.254 1.00 1.25 H new ATOM 0 HG21 ILE A 38 -4.580 -1.176 -2.817 1.00 1.32 H new ATOM 0 HG22 ILE A 38 -5.878 -2.113 -2.039 1.00 1.32 H new ATOM 0 HG23 ILE A 38 -4.764 -1.142 -1.047 1.00 1.32 H new ATOM 0 HD11 ILE A 38 -0.859 -1.843 -3.077 1.00 1.60 H new ATOM 0 HD12 ILE A 38 -1.907 -3.120 -3.740 1.00 1.60 H new ATOM 0 HD13 ILE A 38 -2.494 -1.442 -3.652 1.00 1.60 H new ATOM 628 N LYS A 39 -6.180 -5.366 -0.897 1.00 0.98 N ATOM 629 CA LYS A 39 -7.539 -5.897 -0.708 1.00 1.07 C ATOM 630 C LYS A 39 -7.654 -6.936 0.441 1.00 1.08 C ATOM 631 O LYS A 39 -8.705 -7.548 0.627 1.00 1.44 O ATOM 632 CB LYS A 39 -7.974 -6.451 -2.079 1.00 1.13 C ATOM 633 CG LYS A 39 -8.736 -5.448 -2.966 1.00 1.34 C ATOM 634 CD LYS A 39 -8.188 -4.011 -3.057 1.00 1.79 C ATOM 635 CE LYS A 39 -9.063 -3.081 -3.919 1.00 2.66 C ATOM 636 NZ LYS A 39 -9.016 -3.403 -5.368 1.00 4.28 N ATOM 0 H LYS A 39 -5.586 -6.005 -1.425 1.00 0.98 H new ATOM 0 HA LYS A 39 -8.212 -5.106 -0.378 1.00 1.07 H new ATOM 0 HB2 LYS A 39 -7.088 -6.790 -2.616 1.00 1.13 H new ATOM 0 HB3 LYS A 39 -8.604 -7.326 -1.919 1.00 1.13 H new ATOM 0 HG2 LYS A 39 -8.776 -5.856 -3.976 1.00 1.34 H new ATOM 0 HG3 LYS A 39 -9.763 -5.393 -2.604 1.00 1.34 H new ATOM 0 HD2 LYS A 39 -8.108 -3.595 -2.053 1.00 1.79 H new ATOM 0 HD3 LYS A 39 -7.180 -4.039 -3.472 1.00 1.79 H new ATOM 0 HE2 LYS A 39 -10.095 -3.143 -3.574 1.00 2.66 H new ATOM 0 HE3 LYS A 39 -8.739 -2.051 -3.773 1.00 2.66 H new ATOM 0 HZ1 LYS A 39 -9.513 -2.664 -5.904 1.00 4.28 H new ATOM 0 HZ2 LYS A 39 -8.025 -3.451 -5.681 1.00 4.28 H new ATOM 0 HZ3 LYS A 39 -9.476 -4.321 -5.535 1.00 4.28 H new ATOM 650 N LYS A 40 -6.569 -7.176 1.195 1.00 0.83 N ATOM 651 CA LYS A 40 -6.484 -8.135 2.305 1.00 0.99 C ATOM 652 C LYS A 40 -6.274 -7.481 3.675 1.00 1.10 C ATOM 653 O LYS A 40 -6.983 -7.783 4.628 1.00 1.37 O ATOM 654 CB LYS A 40 -5.296 -9.067 2.015 1.00 1.08 C ATOM 655 CG LYS A 40 -5.669 -10.189 1.045 1.00 1.30 C ATOM 656 CD LYS A 40 -6.389 -11.305 1.800 1.00 1.56 C ATOM 657 CE LYS A 40 -5.387 -12.320 2.372 1.00 3.08 C ATOM 658 NZ LYS A 40 -4.895 -13.277 1.344 1.00 3.89 N ATOM 0 H LYS A 40 -5.689 -6.684 1.039 1.00 0.83 H new ATOM 0 HA LYS A 40 -7.436 -8.664 2.361 1.00 0.99 H new ATOM 0 HB2 LYS A 40 -4.473 -8.486 1.598 1.00 1.08 H new ATOM 0 HB3 LYS A 40 -4.939 -9.500 2.949 1.00 1.08 H new ATOM 0 HG2 LYS A 40 -6.310 -9.800 0.253 1.00 1.30 H new ATOM 0 HG3 LYS A 40 -4.772 -10.581 0.565 1.00 1.30 H new ATOM 0 HD2 LYS A 40 -6.981 -10.878 2.609 1.00 1.56 H new ATOM 0 HD3 LYS A 40 -7.084 -11.812 1.130 1.00 1.56 H new ATOM 0 HE2 LYS A 40 -4.539 -11.786 2.802 1.00 3.08 H new ATOM 0 HE3 LYS A 40 -5.859 -12.874 3.183 1.00 3.08 H new ATOM 0 HZ1 LYS A 40 -4.160 -13.885 1.759 1.00 3.89 H new ATOM 0 HZ2 LYS A 40 -5.685 -13.866 1.012 1.00 3.89 H new ATOM 0 HZ3 LYS A 40 -4.495 -12.750 0.542 1.00 3.89 H new ATOM 672 N GLU A 41 -5.263 -6.624 3.766 1.00 1.01 N ATOM 673 CA GLU A 41 -4.946 -5.812 4.952 1.00 1.11 C ATOM 674 C GLU A 41 -5.627 -4.434 4.911 1.00 1.15 C ATOM 675 O GLU A 41 -5.553 -3.687 5.885 1.00 1.49 O ATOM 676 CB GLU A 41 -3.429 -5.626 5.091 1.00 1.28 C ATOM 677 CG GLU A 41 -2.644 -6.941 5.091 1.00 2.00 C ATOM 678 CD GLU A 41 -2.955 -7.854 6.265 1.00 3.27 C ATOM 679 OE1 GLU A 41 -3.138 -7.378 7.404 1.00 3.78 O ATOM 680 OE2 GLU A 41 -2.869 -9.088 6.085 1.00 4.60 O ATOM 0 H GLU A 41 -4.615 -6.465 2.994 1.00 1.01 H new ATOM 0 HA GLU A 41 -5.331 -6.354 5.816 1.00 1.11 H new ATOM 0 HB2 GLU A 41 -3.072 -5.000 4.273 1.00 1.28 H new ATOM 0 HB3 GLU A 41 -3.221 -5.089 6.017 1.00 1.28 H new ATOM 0 HG2 GLU A 41 -2.853 -7.476 4.164 1.00 2.00 H new ATOM 0 HG3 GLU A 41 -1.578 -6.714 5.094 1.00 2.00 H new ATOM 687 N LEU A 42 -6.302 -4.107 3.808 1.00 1.16 N ATOM 688 CA LEU A 42 -7.244 -3.004 3.632 1.00 1.26 C ATOM 689 C LEU A 42 -8.340 -3.469 2.667 1.00 1.46 C ATOM 690 O LEU A 42 -8.228 -4.541 2.070 1.00 1.93 O ATOM 691 CB LEU A 42 -6.513 -1.751 3.087 1.00 1.18 C ATOM 692 CG LEU A 42 -6.504 -0.542 4.043 1.00 1.29 C ATOM 693 CD1 LEU A 42 -5.604 0.564 3.473 1.00 1.51 C ATOM 694 CD2 LEU A 42 -7.916 0.022 4.270 1.00 2.13 C ATOM 0 H LEU A 42 -6.195 -4.648 2.950 1.00 1.16 H new ATOM 0 HA LEU A 42 -7.689 -2.727 4.587 1.00 1.26 H new ATOM 0 HB2 LEU A 42 -5.483 -2.021 2.855 1.00 1.18 H new ATOM 0 HB3 LEU A 42 -6.983 -1.452 2.150 1.00 1.18 H new ATOM 0 HG LEU A 42 -6.119 -0.886 5.003 1.00 1.29 H new ATOM 0 HD11 LEU A 42 -5.601 1.417 4.152 1.00 1.51 H new ATOM 0 HD12 LEU A 42 -4.588 0.185 3.361 1.00 1.51 H new ATOM 0 HD13 LEU A 42 -5.983 0.877 2.500 1.00 1.51 H new ATOM 0 HD21 LEU A 42 -7.863 0.872 4.950 1.00 2.13 H new ATOM 0 HD22 LEU A 42 -8.337 0.344 3.317 1.00 2.13 H new ATOM 0 HD23 LEU A 42 -8.551 -0.750 4.704 1.00 2.13 H new ATOM 706 N CYS A 43 -9.356 -2.629 2.487 1.00 1.70 N ATOM 707 CA CYS A 43 -10.233 -2.625 1.319 1.00 2.26 C ATOM 708 C CYS A 43 -10.905 -1.242 1.203 1.00 2.10 C ATOM 709 O CYS A 43 -10.841 -0.445 2.144 1.00 2.63 O ATOM 710 CB CYS A 43 -11.169 -3.843 1.338 1.00 3.29 C ATOM 711 SG CYS A 43 -11.481 -4.335 -0.380 1.00 4.70 S ATOM 0 H CYS A 43 -9.599 -1.911 3.170 1.00 1.70 H new ATOM 0 HA CYS A 43 -9.674 -2.752 0.392 1.00 2.26 H new ATOM 0 HB2 CYS A 43 -10.715 -4.664 1.893 1.00 3.29 H new ATOM 0 HB3 CYS A 43 -12.105 -3.597 1.840 1.00 3.29 H new ATOM 0 HG CYS A 43 -12.270 -5.368 -0.399 1.00 4.70 H new ATOM 774 N LYS A 48 -14.738 4.151 -1.765 1.00 2.21 N ATOM 775 CA LYS A 48 -14.269 4.847 -2.965 1.00 2.14 C ATOM 776 C LYS A 48 -14.751 4.066 -4.206 1.00 2.66 C ATOM 777 O LYS A 48 -14.965 2.860 -4.127 1.00 3.45 O ATOM 778 CB LYS A 48 -12.721 4.882 -2.899 1.00 2.21 C ATOM 779 CG LYS A 48 -12.040 5.969 -2.070 1.00 2.51 C ATOM 780 CD LYS A 48 -12.351 5.969 -0.567 1.00 3.69 C ATOM 781 CE LYS A 48 -13.606 6.799 -0.325 1.00 4.68 C ATOM 782 NZ LYS A 48 -13.358 8.265 -0.354 1.00 5.33 N ATOM 0 HA LYS A 48 -14.657 5.864 -3.027 1.00 2.14 H new ATOM 0 HB2 LYS A 48 -12.386 3.918 -2.516 1.00 2.21 H new ATOM 0 HB3 LYS A 48 -12.350 4.966 -3.920 1.00 2.21 H new ATOM 0 HG2 LYS A 48 -10.962 5.872 -2.197 1.00 2.51 H new ATOM 0 HG3 LYS A 48 -12.323 6.939 -2.478 1.00 2.51 H new ATOM 0 HD2 LYS A 48 -12.499 4.949 -0.212 1.00 3.69 H new ATOM 0 HD3 LYS A 48 -11.512 6.382 -0.008 1.00 3.69 H new ATOM 0 HE2 LYS A 48 -14.350 6.549 -1.081 1.00 4.68 H new ATOM 0 HE3 LYS A 48 -14.031 6.529 0.642 1.00 4.68 H new ATOM 0 HZ1 LYS A 48 -14.264 8.769 -0.438 1.00 5.33 H new ATOM 0 HZ2 LYS A 48 -12.882 8.554 0.524 1.00 5.33 H new ATOM 0 HZ3 LYS A 48 -12.755 8.499 -1.168 1.00 5.33 H new ATOM 796 N GLU A 49 -14.924 4.766 -5.329 1.00 2.70 N ATOM 797 CA GLU A 49 -15.195 4.183 -6.642 1.00 3.12 C ATOM 798 C GLU A 49 -13.824 3.982 -7.315 1.00 2.53 C ATOM 799 O GLU A 49 -12.964 3.288 -6.769 1.00 2.94 O ATOM 800 CB GLU A 49 -16.189 5.132 -7.341 1.00 3.85 C ATOM 801 CG GLU A 49 -16.928 4.596 -8.580 1.00 4.79 C ATOM 802 CD GLU A 49 -16.213 4.801 -9.919 1.00 5.52 C ATOM 803 OE1 GLU A 49 -15.460 5.798 -10.034 1.00 5.45 O ATOM 804 OE2 GLU A 49 -16.393 3.954 -10.815 1.00 6.72 O ATOM 0 H GLU A 49 -14.878 5.785 -5.349 1.00 2.70 H new ATOM 0 HA GLU A 49 -15.672 3.203 -6.651 1.00 3.12 H new ATOM 0 HB2 GLU A 49 -16.937 5.436 -6.608 1.00 3.85 H new ATOM 0 HB3 GLU A 49 -15.647 6.031 -7.635 1.00 3.85 H new ATOM 0 HG2 GLU A 49 -17.104 3.529 -8.442 1.00 4.79 H new ATOM 0 HG3 GLU A 49 -17.905 5.076 -8.633 1.00 4.79 H new ATOM 811 N SER A 50 -13.548 4.650 -8.430 1.00 2.20 N ATOM 812 CA SER A 50 -12.198 4.802 -8.949 1.00 1.90 C ATOM 813 C SER A 50 -11.354 5.767 -8.085 1.00 2.28 C ATOM 814 O SER A 50 -11.775 6.220 -7.018 1.00 3.53 O ATOM 815 CB SER A 50 -12.264 5.211 -10.429 1.00 2.08 C ATOM 816 OG SER A 50 -10.989 5.087 -11.047 1.00 3.21 O ATOM 0 H SER A 50 -14.261 5.103 -9.001 1.00 2.20 H new ATOM 0 HA SER A 50 -11.680 3.845 -8.891 1.00 1.90 H new ATOM 0 HB2 SER A 50 -12.988 4.586 -10.951 1.00 2.08 H new ATOM 0 HB3 SER A 50 -12.614 6.240 -10.511 1.00 2.08 H new ATOM 0 HG SER A 50 -10.641 5.978 -11.260 1.00 3.21 H new ATOM 822 N SER A 51 -10.122 6.019 -8.537 1.00 2.00 N ATOM 823 CA SER A 51 -8.947 6.618 -7.867 1.00 2.41 C ATOM 824 C SER A 51 -8.062 5.514 -7.281 1.00 2.14 C ATOM 825 O SER A 51 -6.842 5.564 -7.399 1.00 2.37 O ATOM 826 CB SER A 51 -9.269 7.708 -6.815 1.00 3.03 C ATOM 827 OG SER A 51 -9.379 7.243 -5.473 1.00 4.50 O ATOM 0 H SER A 51 -9.889 5.781 -9.501 1.00 2.00 H new ATOM 0 HA SER A 51 -8.405 7.157 -8.644 1.00 2.41 H new ATOM 0 HB2 SER A 51 -8.491 8.470 -6.856 1.00 3.03 H new ATOM 0 HB3 SER A 51 -10.205 8.193 -7.092 1.00 3.03 H new ATOM 0 HG SER A 51 -9.393 8.009 -4.862 1.00 4.50 H new ATOM 833 N ILE A 52 -8.686 4.486 -6.692 1.00 1.86 N ATOM 834 CA ILE A 52 -7.985 3.362 -6.056 1.00 1.81 C ATOM 835 C ILE A 52 -7.626 2.237 -7.028 1.00 1.55 C ATOM 836 O ILE A 52 -6.574 1.621 -6.867 1.00 1.57 O ATOM 837 CB ILE A 52 -8.773 2.843 -4.827 1.00 1.98 C ATOM 838 CG1 ILE A 52 -10.082 2.081 -5.146 1.00 2.26 C ATOM 839 CG2 ILE A 52 -9.092 4.022 -3.890 1.00 2.37 C ATOM 840 CD1 ILE A 52 -9.884 0.562 -5.157 1.00 2.17 C ATOM 0 H ILE A 52 -9.702 4.410 -6.643 1.00 1.86 H new ATOM 0 HA ILE A 52 -7.029 3.751 -5.706 1.00 1.81 H new ATOM 0 HB ILE A 52 -8.117 2.110 -4.357 1.00 1.98 H new ATOM 0 HG12 ILE A 52 -10.840 2.341 -4.407 1.00 2.26 H new ATOM 0 HG13 ILE A 52 -10.460 2.403 -6.117 1.00 2.26 H new ATOM 0 HG21 ILE A 52 -9.646 3.659 -3.025 1.00 2.37 H new ATOM 0 HG22 ILE A 52 -8.163 4.484 -3.558 1.00 2.37 H new ATOM 0 HG23 ILE A 52 -9.693 4.758 -4.423 1.00 2.37 H new ATOM 0 HD11 ILE A 52 -10.831 0.073 -5.386 1.00 2.17 H new ATOM 0 HD12 ILE A 52 -9.147 0.297 -5.915 1.00 2.17 H new ATOM 0 HD13 ILE A 52 -9.533 0.234 -4.179 1.00 2.17 H new ATOM 852 N ASP A 53 -8.467 1.952 -8.027 1.00 1.45 N ATOM 853 CA ASP A 53 -8.262 0.818 -8.942 1.00 1.44 C ATOM 854 C ASP A 53 -7.565 1.189 -10.262 1.00 1.26 C ATOM 855 O ASP A 53 -7.124 0.305 -10.987 1.00 1.15 O ATOM 856 CB ASP A 53 -9.538 -0.031 -9.112 1.00 2.10 C ATOM 857 CG ASP A 53 -9.270 -1.486 -8.677 1.00 3.25 C ATOM 858 OD1 ASP A 53 -8.767 -2.295 -9.494 1.00 3.23 O ATOM 859 OD2 ASP A 53 -9.497 -1.785 -7.474 1.00 4.83 O ATOM 0 H ASP A 53 -9.306 2.496 -8.226 1.00 1.45 H new ATOM 0 HA ASP A 53 -7.537 0.167 -8.453 1.00 1.44 H new ATOM 0 HB2 ASP A 53 -10.347 0.391 -8.516 1.00 2.10 H new ATOM 0 HB3 ASP A 53 -9.863 -0.008 -10.152 1.00 2.10 H new ATOM 864 N ASP A 54 -7.359 2.485 -10.522 1.00 1.49 N ATOM 865 CA ASP A 54 -6.357 2.955 -11.488 1.00 1.62 C ATOM 866 C ASP A 54 -4.943 2.600 -11.002 1.00 1.40 C ATOM 867 O ASP A 54 -4.147 2.027 -11.745 1.00 1.40 O ATOM 868 CB ASP A 54 -6.465 4.471 -11.684 1.00 2.14 C ATOM 869 CG ASP A 54 -5.358 4.946 -12.636 1.00 2.51 C ATOM 870 OD1 ASP A 54 -5.551 4.786 -13.861 1.00 2.74 O ATOM 871 OD2 ASP A 54 -4.312 5.405 -12.126 1.00 3.37 O ATOM 0 H ASP A 54 -7.880 3.237 -10.071 1.00 1.49 H new ATOM 0 HA ASP A 54 -6.546 2.461 -12.441 1.00 1.62 H new ATOM 0 HB2 ASP A 54 -7.443 4.727 -12.091 1.00 2.14 H new ATOM 0 HB3 ASP A 54 -6.376 4.979 -10.724 1.00 2.14 H new ATOM 876 N LEU A 55 -4.656 2.870 -9.721 1.00 1.30 N ATOM 877 CA LEU A 55 -3.394 2.486 -9.098 1.00 1.15 C ATOM 878 C LEU A 55 -3.268 0.957 -9.074 1.00 1.05 C ATOM 879 O LEU A 55 -2.212 0.425 -9.421 1.00 1.07 O ATOM 880 CB LEU A 55 -3.286 3.122 -7.701 1.00 1.11 C ATOM 881 CG LEU A 55 -3.361 4.657 -7.668 1.00 1.28 C ATOM 882 CD1 LEU A 55 -3.230 5.156 -6.222 1.00 1.41 C ATOM 883 CD2 LEU A 55 -2.283 5.317 -8.544 1.00 1.31 C ATOM 0 H LEU A 55 -5.294 3.360 -9.094 1.00 1.30 H new ATOM 0 HA LEU A 55 -2.555 2.863 -9.683 1.00 1.15 H new ATOM 0 HB2 LEU A 55 -4.085 2.723 -7.076 1.00 1.11 H new ATOM 0 HB3 LEU A 55 -2.343 2.811 -7.251 1.00 1.11 H new ATOM 0 HG LEU A 55 -4.331 4.941 -8.076 1.00 1.28 H new ATOM 0 HD11 LEU A 55 -3.284 6.245 -6.206 1.00 1.41 H new ATOM 0 HD12 LEU A 55 -4.040 4.744 -5.620 1.00 1.41 H new ATOM 0 HD13 LEU A 55 -2.273 4.834 -5.811 1.00 1.41 H new ATOM 0 HD21 LEU A 55 -2.380 6.401 -8.485 1.00 1.31 H new ATOM 0 HD22 LEU A 55 -1.295 5.021 -8.190 1.00 1.31 H new ATOM 0 HD23 LEU A 55 -2.409 4.997 -9.578 1.00 1.31 H new ATOM 895 N MET A 56 -4.348 0.229 -8.764 1.00 1.00 N ATOM 896 CA MET A 56 -4.367 -1.243 -8.873 1.00 0.97 C ATOM 897 C MET A 56 -4.100 -1.715 -10.308 1.00 1.06 C ATOM 898 O MET A 56 -3.326 -2.652 -10.498 1.00 1.15 O ATOM 899 CB MET A 56 -5.691 -1.836 -8.379 1.00 1.01 C ATOM 900 CG MET A 56 -6.030 -1.500 -6.917 1.00 1.13 C ATOM 901 SD MET A 56 -5.795 -2.847 -5.734 1.00 1.61 S ATOM 902 CE MET A 56 -4.015 -3.052 -5.883 1.00 1.68 C ATOM 0 H MET A 56 -5.225 0.633 -8.434 1.00 1.00 H new ATOM 0 HA MET A 56 -3.562 -1.603 -8.232 1.00 0.97 H new ATOM 0 HB2 MET A 56 -6.497 -1.476 -9.018 1.00 1.01 H new ATOM 0 HB3 MET A 56 -5.654 -2.920 -8.491 1.00 1.01 H new ATOM 0 HG2 MET A 56 -5.417 -0.655 -6.605 1.00 1.13 H new ATOM 0 HG3 MET A 56 -7.069 -1.175 -6.869 1.00 1.13 H new ATOM 0 HE1 MET A 56 -3.628 -3.538 -4.987 1.00 1.68 H new ATOM 0 HE2 MET A 56 -3.791 -3.667 -6.755 1.00 1.68 H new ATOM 0 HE3 MET A 56 -3.545 -2.075 -5.997 1.00 1.68 H new ATOM 912 N LYS A 57 -4.644 -1.043 -11.327 1.00 1.15 N ATOM 913 CA LYS A 57 -4.329 -1.285 -12.744 1.00 1.33 C ATOM 914 C LYS A 57 -2.884 -0.931 -13.129 1.00 1.37 C ATOM 915 O LYS A 57 -2.244 -1.527 -13.998 1.00 1.50 O ATOM 916 CB LYS A 57 -5.325 -0.489 -13.615 1.00 1.60 C ATOM 917 CG LYS A 57 -6.540 -1.340 -13.979 1.00 1.99 C ATOM 918 CD LYS A 57 -6.098 -2.363 -15.027 1.00 2.24 C ATOM 919 CE LYS A 57 -7.172 -3.442 -15.202 1.00 3.04 C ATOM 920 NZ LYS A 57 -6.701 -4.545 -16.071 1.00 4.34 N ATOM 0 H LYS A 57 -5.330 -0.300 -11.191 1.00 1.15 H new ATOM 0 HA LYS A 57 -4.425 -2.357 -12.919 1.00 1.33 H new ATOM 0 HB2 LYS A 57 -5.649 0.403 -13.079 1.00 1.60 H new ATOM 0 HB3 LYS A 57 -4.828 -0.151 -14.524 1.00 1.60 H new ATOM 0 HG2 LYS A 57 -6.932 -1.844 -13.095 1.00 1.99 H new ATOM 0 HG3 LYS A 57 -7.341 -0.714 -14.371 1.00 1.99 H new ATOM 0 HD2 LYS A 57 -5.916 -1.864 -15.979 1.00 2.24 H new ATOM 0 HD3 LYS A 57 -5.157 -2.822 -14.723 1.00 2.24 H new ATOM 0 HE2 LYS A 57 -7.451 -3.840 -14.226 1.00 3.04 H new ATOM 0 HE3 LYS A 57 -8.069 -2.997 -15.632 1.00 3.04 H new ATOM 0 HZ1 LYS A 57 -7.397 -5.318 -16.059 1.00 4.34 H new ATOM 0 HZ2 LYS A 57 -6.588 -4.196 -17.044 1.00 4.34 H new ATOM 0 HZ3 LYS A 57 -5.787 -4.896 -15.721 1.00 4.34 H new ATOM 934 N SER A 58 -2.359 0.071 -12.465 1.00 1.38 N ATOM 935 CA SER A 58 -0.956 0.475 -12.539 1.00 1.49 C ATOM 936 C SER A 58 0.001 -0.520 -11.861 1.00 1.47 C ATOM 937 O SER A 58 1.145 -0.638 -12.299 1.00 1.64 O ATOM 938 CB SER A 58 -0.761 1.910 -12.045 1.00 1.56 C ATOM 939 OG SER A 58 0.359 2.473 -12.713 1.00 1.81 O ATOM 0 H SER A 58 -2.908 0.654 -11.833 1.00 1.38 H new ATOM 0 HA SER A 58 -0.684 0.456 -13.594 1.00 1.49 H new ATOM 0 HB2 SER A 58 -1.655 2.502 -12.241 1.00 1.56 H new ATOM 0 HB3 SER A 58 -0.602 1.920 -10.967 1.00 1.56 H new ATOM 0 HG SER A 58 0.494 3.394 -12.406 1.00 1.81 H new ATOM 945 N LEU A 59 -0.464 -1.312 -10.883 1.00 1.35 N ATOM 946 CA LEU A 59 0.214 -2.542 -10.450 1.00 1.31 C ATOM 947 C LEU A 59 0.043 -3.665 -11.468 1.00 1.38 C ATOM 948 O LEU A 59 1.045 -4.232 -11.888 1.00 1.46 O ATOM 949 CB LEU A 59 -0.259 -3.021 -9.066 1.00 1.23 C ATOM 950 CG LEU A 59 -0.032 -2.038 -7.909 1.00 1.24 C ATOM 951 CD1 LEU A 59 -0.407 -2.745 -6.606 1.00 1.26 C ATOM 952 CD2 LEU A 59 1.415 -1.528 -7.835 1.00 1.36 C ATOM 0 H LEU A 59 -1.323 -1.116 -10.369 1.00 1.35 H new ATOM 0 HA LEU A 59 1.272 -2.289 -10.375 1.00 1.31 H new ATOM 0 HB2 LEU A 59 -1.324 -3.246 -9.124 1.00 1.23 H new ATOM 0 HB3 LEU A 59 0.252 -3.955 -8.831 1.00 1.23 H new ATOM 0 HG LEU A 59 -0.657 -1.161 -8.076 1.00 1.24 H new ATOM 0 HD11 LEU A 59 -0.254 -2.066 -5.767 1.00 1.26 H new ATOM 0 HD12 LEU A 59 -1.454 -3.046 -6.644 1.00 1.26 H new ATOM 0 HD13 LEU A 59 0.220 -3.628 -6.478 1.00 1.26 H new ATOM 0 HD21 LEU A 59 1.515 -0.837 -6.998 1.00 1.36 H new ATOM 0 HD22 LEU A 59 2.091 -2.371 -7.692 1.00 1.36 H new ATOM 0 HD23 LEU A 59 1.667 -1.014 -8.762 1.00 1.36 H new ATOM 964 N ASP A 60 -1.200 -3.951 -11.871 1.00 1.41 N ATOM 965 CA ASP A 60 -1.605 -4.993 -12.825 1.00 1.53 C ATOM 966 C ASP A 60 -0.680 -5.067 -14.046 1.00 1.39 C ATOM 967 O ASP A 60 -0.225 -6.150 -14.410 1.00 1.51 O ATOM 968 CB ASP A 60 -3.054 -4.697 -13.242 1.00 1.85 C ATOM 969 CG ASP A 60 -3.726 -5.764 -14.099 1.00 2.58 C ATOM 970 OD1 ASP A 60 -3.825 -6.903 -13.595 1.00 2.59 O ATOM 971 OD2 ASP A 60 -4.262 -5.406 -15.174 1.00 4.01 O ATOM 0 H ASP A 60 -2.002 -3.429 -11.518 1.00 1.41 H new ATOM 0 HA ASP A 60 -1.531 -5.969 -12.346 1.00 1.53 H new ATOM 0 HB2 ASP A 60 -3.650 -4.553 -12.341 1.00 1.85 H new ATOM 0 HB3 ASP A 60 -3.070 -3.754 -13.789 1.00 1.85 H new ATOM 976 N LYS A 61 -0.327 -3.881 -14.552 1.00 1.43 N ATOM 977 CA LYS A 61 0.721 -3.557 -15.527 1.00 1.57 C ATOM 978 C LYS A 61 1.957 -4.487 -15.538 1.00 1.58 C ATOM 979 O LYS A 61 2.476 -4.764 -16.612 1.00 1.79 O ATOM 980 CB LYS A 61 1.166 -2.111 -15.204 1.00 1.82 C ATOM 981 CG LYS A 61 1.659 -1.285 -16.401 1.00 2.10 C ATOM 982 CD LYS A 61 0.528 -0.729 -17.285 1.00 2.23 C ATOM 983 CE LYS A 61 -0.481 0.188 -16.562 1.00 3.03 C ATOM 984 NZ LYS A 61 0.143 1.408 -15.974 1.00 4.07 N ATOM 0 H LYS A 61 -0.819 -3.037 -14.259 1.00 1.43 H new ATOM 0 HA LYS A 61 0.293 -3.686 -16.521 1.00 1.57 H new ATOM 0 HB2 LYS A 61 0.329 -1.587 -14.744 1.00 1.82 H new ATOM 0 HB3 LYS A 61 1.963 -2.153 -14.461 1.00 1.82 H new ATOM 0 HG2 LYS A 61 2.261 -0.454 -16.033 1.00 2.10 H new ATOM 0 HG3 LYS A 61 2.313 -1.906 -17.013 1.00 2.10 H new ATOM 0 HD2 LYS A 61 0.973 -0.173 -18.110 1.00 2.23 H new ATOM 0 HD3 LYS A 61 -0.015 -1.567 -17.722 1.00 2.23 H new ATOM 0 HE2 LYS A 61 -1.256 0.489 -17.266 1.00 3.03 H new ATOM 0 HE3 LYS A 61 -0.972 -0.378 -15.770 1.00 3.03 H new ATOM 0 HZ1 LYS A 61 -0.588 1.980 -15.504 1.00 4.07 H new ATOM 0 HZ2 LYS A 61 0.864 1.128 -15.279 1.00 4.07 H new ATOM 0 HZ3 LYS A 61 0.588 1.968 -16.729 1.00 4.07 H new ATOM 998 N ASN A 62 2.432 -4.921 -14.365 1.00 1.54 N ATOM 999 CA ASN A 62 3.701 -5.641 -14.167 1.00 1.78 C ATOM 1000 C ASN A 62 3.622 -6.633 -12.988 1.00 1.86 C ATOM 1001 O ASN A 62 4.552 -6.744 -12.193 1.00 2.99 O ATOM 1002 CB ASN A 62 4.844 -4.622 -13.996 1.00 2.04 C ATOM 1003 CG ASN A 62 5.095 -3.813 -15.258 1.00 2.18 C ATOM 1004 OD1 ASN A 62 4.775 -2.632 -15.329 1.00 2.89 O ATOM 1005 ND2 ASN A 62 5.648 -4.433 -16.283 1.00 2.34 N ATOM 0 H ASN A 62 1.925 -4.776 -13.492 1.00 1.54 H new ATOM 0 HA ASN A 62 3.905 -6.246 -15.050 1.00 1.78 H new ATOM 0 HB2 ASN A 62 4.604 -3.945 -13.176 1.00 2.04 H new ATOM 0 HB3 ASN A 62 5.757 -5.148 -13.718 1.00 2.04 H new ATOM 0 HD21 ASN A 62 5.816 -3.929 -17.154 1.00 2.34 H new ATOM 0 HD22 ASN A 62 5.908 -5.416 -16.205 1.00 2.34 H new ATOM 1012 N SER A 63 2.474 -7.301 -12.853 1.00 1.39 N ATOM 1013 CA SER A 63 2.058 -8.304 -11.849 1.00 1.32 C ATOM 1014 C SER A 63 3.052 -9.429 -11.499 1.00 1.21 C ATOM 1015 O SER A 63 2.775 -10.224 -10.607 1.00 1.61 O ATOM 1016 CB SER A 63 0.770 -8.992 -12.350 1.00 1.59 C ATOM 1017 OG SER A 63 -0.334 -8.094 -12.457 1.00 2.59 O ATOM 0 H SER A 63 1.720 -7.138 -13.520 1.00 1.39 H new ATOM 0 HA SER A 63 1.950 -7.719 -10.936 1.00 1.32 H new ATOM 0 HB2 SER A 63 0.960 -9.443 -13.324 1.00 1.59 H new ATOM 0 HB3 SER A 63 0.508 -9.802 -11.669 1.00 1.59 H new ATOM 0 HG SER A 63 -0.191 -7.488 -13.214 1.00 2.59 H new ATOM 1023 N ASP A 64 4.183 -9.522 -12.182 1.00 1.12 N ATOM 1024 CA ASP A 64 5.170 -10.592 -12.150 1.00 1.19 C ATOM 1025 C ASP A 64 6.466 -10.108 -11.500 1.00 1.17 C ATOM 1026 O ASP A 64 7.124 -10.850 -10.764 1.00 1.72 O ATOM 1027 CB ASP A 64 5.432 -10.979 -13.626 1.00 1.87 C ATOM 1028 CG ASP A 64 5.898 -9.793 -14.505 1.00 3.97 C ATOM 1029 OD1 ASP A 64 5.131 -8.808 -14.643 1.00 4.81 O ATOM 1030 OD2 ASP A 64 7.057 -9.822 -14.975 1.00 5.40 O ATOM 0 H ASP A 64 4.458 -8.785 -12.831 1.00 1.12 H new ATOM 0 HA ASP A 64 4.811 -11.441 -11.568 1.00 1.19 H new ATOM 0 HB2 ASP A 64 6.188 -11.763 -13.658 1.00 1.87 H new ATOM 0 HB3 ASP A 64 4.520 -11.398 -14.050 1.00 1.87 H new ATOM 1035 N GLN A 65 6.787 -8.834 -11.726 1.00 1.18 N ATOM 1036 CA GLN A 65 8.028 -8.204 -11.315 1.00 1.11 C ATOM 1037 C GLN A 65 8.125 -8.111 -9.789 1.00 0.86 C ATOM 1038 O GLN A 65 7.118 -7.843 -9.132 1.00 0.83 O ATOM 1039 CB GLN A 65 8.045 -6.793 -11.907 1.00 1.23 C ATOM 1040 CG GLN A 65 8.146 -6.735 -13.443 1.00 1.56 C ATOM 1041 CD GLN A 65 9.452 -7.317 -13.981 1.00 2.43 C ATOM 1042 OE1 GLN A 65 10.526 -6.799 -13.734 1.00 3.61 O ATOM 1043 NE2 GLN A 65 9.430 -8.419 -14.701 1.00 3.41 N ATOM 0 H GLN A 65 6.163 -8.195 -12.219 1.00 1.18 H new ATOM 0 HA GLN A 65 8.872 -8.797 -11.667 1.00 1.11 H new ATOM 0 HB2 GLN A 65 7.138 -6.274 -11.597 1.00 1.23 H new ATOM 0 HB3 GLN A 65 8.886 -6.246 -11.481 1.00 1.23 H new ATOM 0 HG2 GLN A 65 7.307 -7.279 -13.877 1.00 1.56 H new ATOM 0 HG3 GLN A 65 8.056 -5.698 -13.768 1.00 1.56 H new ATOM 0 HE21 GLN A 65 8.541 -8.868 -14.919 1.00 3.41 H new ATOM 0 HE22 GLN A 65 10.302 -8.824 -15.041 1.00 3.41 H new ATOM 1052 N GLU A 66 9.330 -8.232 -9.222 1.00 0.81 N ATOM 1053 CA GLU A 66 9.517 -7.872 -7.818 1.00 0.74 C ATOM 1054 C GLU A 66 9.558 -6.356 -7.630 1.00 0.77 C ATOM 1055 O GLU A 66 10.099 -5.602 -8.438 1.00 0.90 O ATOM 1056 CB GLU A 66 10.742 -8.519 -7.143 1.00 0.78 C ATOM 1057 CG GLU A 66 10.509 -9.975 -6.708 1.00 0.88 C ATOM 1058 CD GLU A 66 11.446 -10.363 -5.557 1.00 1.51 C ATOM 1059 OE1 GLU A 66 12.588 -10.784 -5.840 1.00 1.80 O ATOM 1060 OE2 GLU A 66 11.016 -10.220 -4.387 1.00 2.87 O ATOM 0 H GLU A 66 10.167 -8.567 -9.699 1.00 0.81 H new ATOM 0 HA GLU A 66 8.642 -8.283 -7.314 1.00 0.74 H new ATOM 0 HB2 GLU A 66 11.586 -8.485 -7.832 1.00 0.78 H new ATOM 0 HB3 GLU A 66 11.020 -7.928 -6.270 1.00 0.78 H new ATOM 0 HG2 GLU A 66 9.472 -10.103 -6.397 1.00 0.88 H new ATOM 0 HG3 GLU A 66 10.672 -10.642 -7.555 1.00 0.88 H new ATOM 1067 N ILE A 67 9.003 -5.921 -6.501 1.00 0.74 N ATOM 1068 CA ILE A 67 9.112 -4.554 -5.989 1.00 0.78 C ATOM 1069 C ILE A 67 9.635 -4.541 -4.557 1.00 0.72 C ATOM 1070 O ILE A 67 9.254 -5.367 -3.733 1.00 0.69 O ATOM 1071 CB ILE A 67 7.756 -3.815 -6.051 1.00 0.94 C ATOM 1072 CG1 ILE A 67 6.556 -4.704 -5.666 1.00 1.19 C ATOM 1073 CG2 ILE A 67 7.548 -3.132 -7.410 1.00 1.87 C ATOM 1074 CD1 ILE A 67 5.229 -3.948 -5.623 1.00 1.43 C ATOM 0 H ILE A 67 8.448 -6.528 -5.898 1.00 0.74 H new ATOM 0 HA ILE A 67 9.822 -4.032 -6.630 1.00 0.78 H new ATOM 0 HB ILE A 67 7.802 -3.036 -5.290 1.00 0.94 H new ATOM 0 HG12 ILE A 67 6.476 -5.523 -6.381 1.00 1.19 H new ATOM 0 HG13 ILE A 67 6.743 -5.151 -4.689 1.00 1.19 H new ATOM 0 HG21 ILE A 67 6.584 -2.622 -7.417 1.00 1.87 H new ATOM 0 HG22 ILE A 67 8.344 -2.406 -7.578 1.00 1.87 H new ATOM 0 HG23 ILE A 67 7.568 -3.882 -8.201 1.00 1.87 H new ATOM 0 HD11 ILE A 67 4.428 -4.634 -5.346 1.00 1.43 H new ATOM 0 HD12 ILE A 67 5.291 -3.146 -4.887 1.00 1.43 H new ATOM 0 HD13 ILE A 67 5.020 -3.524 -6.605 1.00 1.43 H new ATOM 1086 N ASP A 68 10.461 -3.541 -4.271 1.00 0.88 N ATOM 1087 CA ASP A 68 10.917 -3.169 -2.931 1.00 0.87 C ATOM 1088 C ASP A 68 9.785 -2.538 -2.098 1.00 0.83 C ATOM 1089 O ASP A 68 8.869 -1.897 -2.617 1.00 1.06 O ATOM 1090 CB ASP A 68 12.118 -2.213 -3.123 1.00 1.00 C ATOM 1091 CG ASP A 68 12.652 -1.514 -1.865 1.00 1.43 C ATOM 1092 OD1 ASP A 68 12.805 -2.175 -0.818 1.00 3.04 O ATOM 1093 OD2 ASP A 68 12.913 -0.292 -1.962 1.00 1.88 O ATOM 0 H ASP A 68 10.850 -2.939 -4.997 1.00 0.88 H new ATOM 0 HA ASP A 68 11.224 -4.048 -2.364 1.00 0.87 H new ATOM 0 HB2 ASP A 68 12.935 -2.779 -3.570 1.00 1.00 H new ATOM 0 HB3 ASP A 68 11.831 -1.446 -3.842 1.00 1.00 H new ATOM 1098 N PHE A 69 9.908 -2.672 -0.780 1.00 0.85 N ATOM 1099 CA PHE A 69 9.098 -2.048 0.270 1.00 0.94 C ATOM 1100 C PHE A 69 8.860 -0.528 0.078 1.00 0.87 C ATOM 1101 O PHE A 69 7.889 0.034 0.590 1.00 0.93 O ATOM 1102 CB PHE A 69 9.841 -2.355 1.582 1.00 1.23 C ATOM 1103 CG PHE A 69 9.257 -1.729 2.824 1.00 1.05 C ATOM 1104 CD1 PHE A 69 8.033 -2.184 3.337 1.00 2.20 C ATOM 1105 CD2 PHE A 69 9.942 -0.684 3.471 1.00 2.25 C ATOM 1106 CE1 PHE A 69 7.466 -1.547 4.452 1.00 2.63 C ATOM 1107 CE2 PHE A 69 9.375 -0.049 4.586 1.00 2.97 C ATOM 1108 CZ PHE A 69 8.122 -0.467 5.065 1.00 2.65 C ATOM 0 H PHE A 69 10.635 -3.268 -0.384 1.00 0.85 H new ATOM 0 HA PHE A 69 8.087 -2.455 0.256 1.00 0.94 H new ATOM 0 HB2 PHE A 69 9.867 -3.436 1.719 1.00 1.23 H new ATOM 0 HB3 PHE A 69 10.874 -2.022 1.480 1.00 1.23 H new ATOM 0 HD1 PHE A 69 7.529 -3.021 2.876 1.00 2.20 H new ATOM 0 HD2 PHE A 69 10.909 -0.369 3.107 1.00 2.25 H new ATOM 0 HE1 PHE A 69 6.519 -1.890 4.841 1.00 2.63 H new ATOM 0 HE2 PHE A 69 9.900 0.759 5.075 1.00 2.97 H new ATOM 0 HZ PHE A 69 7.665 0.040 5.902 1.00 2.65 H new ATOM 1118 N LYS A 70 9.707 0.158 -0.694 1.00 0.84 N ATOM 1119 CA LYS A 70 9.597 1.580 -1.046 1.00 0.88 C ATOM 1120 C LYS A 70 8.557 1.865 -2.132 1.00 0.80 C ATOM 1121 O LYS A 70 7.806 2.839 -2.058 1.00 0.78 O ATOM 1122 CB LYS A 70 10.969 1.961 -1.570 1.00 1.04 C ATOM 1123 CG LYS A 70 11.175 3.450 -1.862 1.00 1.13 C ATOM 1124 CD LYS A 70 12.578 3.698 -2.441 1.00 1.62 C ATOM 1125 CE LYS A 70 12.740 3.108 -3.853 1.00 2.59 C ATOM 1126 NZ LYS A 70 13.176 1.689 -3.858 1.00 3.33 N ATOM 0 H LYS A 70 10.527 -0.282 -1.111 1.00 0.84 H new ATOM 0 HA LYS A 70 9.276 2.148 -0.173 1.00 0.88 H new ATOM 0 HB2 LYS A 70 11.717 1.645 -0.843 1.00 1.04 H new ATOM 0 HB3 LYS A 70 11.157 1.400 -2.485 1.00 1.04 H new ATOM 0 HG2 LYS A 70 10.418 3.796 -2.566 1.00 1.13 H new ATOM 0 HG3 LYS A 70 11.046 4.027 -0.946 1.00 1.13 H new ATOM 0 HD2 LYS A 70 12.771 4.770 -2.473 1.00 1.62 H new ATOM 0 HD3 LYS A 70 13.325 3.260 -1.779 1.00 1.62 H new ATOM 0 HE2 LYS A 70 11.791 3.190 -4.383 1.00 2.59 H new ATOM 0 HE3 LYS A 70 13.466 3.704 -4.406 1.00 2.59 H new ATOM 0 HZ1 LYS A 70 14.135 1.622 -4.254 1.00 3.33 H new ATOM 0 HZ2 LYS A 70 13.177 1.323 -2.885 1.00 3.33 H new ATOM 0 HZ3 LYS A 70 12.522 1.127 -4.439 1.00 3.33 H new ATOM 1140 N GLU A 71 8.513 1.003 -3.148 1.00 0.84 N ATOM 1141 CA GLU A 71 7.533 1.051 -4.234 1.00 0.88 C ATOM 1142 C GLU A 71 6.133 0.885 -3.633 1.00 0.78 C ATOM 1143 O GLU A 71 5.176 1.577 -3.977 1.00 0.89 O ATOM 1144 CB GLU A 71 7.812 -0.086 -5.233 1.00 1.01 C ATOM 1145 CG GLU A 71 9.306 -0.335 -5.517 1.00 1.68 C ATOM 1146 CD GLU A 71 10.036 0.913 -5.992 1.00 3.03 C ATOM 1147 OE1 GLU A 71 9.413 1.698 -6.735 1.00 3.15 O ATOM 1148 OE2 GLU A 71 11.200 1.088 -5.561 1.00 4.67 O ATOM 0 H GLU A 71 9.175 0.232 -3.241 1.00 0.84 H new ATOM 0 HA GLU A 71 7.601 2.004 -4.759 1.00 0.88 H new ATOM 0 HB2 GLU A 71 7.370 -1.006 -4.850 1.00 1.01 H new ATOM 0 HB3 GLU A 71 7.310 0.142 -6.173 1.00 1.01 H new ATOM 0 HG2 GLU A 71 9.785 -0.707 -4.612 1.00 1.68 H new ATOM 0 HG3 GLU A 71 9.402 -1.115 -6.272 1.00 1.68 H new ATOM 1155 N TYR A 72 6.073 0.017 -2.623 1.00 0.69 N ATOM 1156 CA TYR A 72 4.940 -0.123 -1.714 1.00 0.63 C ATOM 1157 C TYR A 72 4.689 1.133 -0.852 1.00 0.67 C ATOM 1158 O TYR A 72 3.565 1.625 -0.837 1.00 0.71 O ATOM 1159 CB TYR A 72 5.180 -1.389 -0.892 1.00 0.67 C ATOM 1160 CG TYR A 72 4.346 -1.554 0.361 1.00 0.65 C ATOM 1161 CD1 TYR A 72 2.950 -1.695 0.269 1.00 2.15 C ATOM 1162 CD2 TYR A 72 4.976 -1.674 1.612 1.00 1.96 C ATOM 1163 CE1 TYR A 72 2.202 -2.086 1.393 1.00 2.20 C ATOM 1164 CE2 TYR A 72 4.231 -2.051 2.744 1.00 2.00 C ATOM 1165 CZ TYR A 72 2.850 -2.296 2.630 1.00 0.86 C ATOM 1166 OH TYR A 72 2.146 -2.746 3.704 1.00 1.03 O ATOM 0 H TYR A 72 6.835 -0.626 -2.410 1.00 0.69 H new ATOM 0 HA TYR A 72 4.015 -0.220 -2.282 1.00 0.63 H new ATOM 0 HB2 TYR A 72 5.002 -2.251 -1.535 1.00 0.67 H new ATOM 0 HB3 TYR A 72 6.232 -1.415 -0.607 1.00 0.67 H new ATOM 0 HD1 TYR A 72 2.451 -1.502 -0.669 1.00 2.15 H new ATOM 0 HD2 TYR A 72 6.034 -1.476 1.704 1.00 1.96 H new ATOM 0 HE1 TYR A 72 1.134 -2.225 1.311 1.00 2.20 H new ATOM 0 HE2 TYR A 72 4.720 -2.153 3.702 1.00 2.00 H new ATOM 0 HH TYR A 72 2.767 -3.010 4.415 1.00 1.03 H new ATOM 1176 N SER A 73 5.689 1.706 -0.178 1.00 0.73 N ATOM 1177 CA SER A 73 5.510 2.918 0.640 1.00 0.79 C ATOM 1178 C SER A 73 5.006 4.136 -0.152 1.00 0.77 C ATOM 1179 O SER A 73 4.137 4.859 0.353 1.00 0.83 O ATOM 1180 CB SER A 73 6.784 3.237 1.434 1.00 0.86 C ATOM 1181 OG SER A 73 7.769 3.863 0.646 1.00 1.38 O ATOM 0 H SER A 73 6.644 1.348 -0.181 1.00 0.73 H new ATOM 0 HA SER A 73 4.712 2.691 1.347 1.00 0.79 H new ATOM 0 HB2 SER A 73 6.532 3.883 2.275 1.00 0.86 H new ATOM 0 HB3 SER A 73 7.189 2.315 1.851 1.00 0.86 H new ATOM 0 HG SER A 73 8.554 4.060 1.199 1.00 1.38 H new ATOM 1187 N VAL A 74 5.481 4.348 -1.387 1.00 0.74 N ATOM 1188 CA VAL A 74 4.956 5.378 -2.300 1.00 0.76 C ATOM 1189 C VAL A 74 3.603 5.000 -2.902 1.00 0.79 C ATOM 1190 O VAL A 74 2.810 5.906 -3.139 1.00 0.81 O ATOM 1191 CB VAL A 74 5.929 5.789 -3.429 1.00 0.85 C ATOM 1192 CG1 VAL A 74 7.242 6.313 -2.842 1.00 0.88 C ATOM 1193 CG2 VAL A 74 6.196 4.714 -4.496 1.00 0.93 C ATOM 0 H VAL A 74 6.247 3.806 -1.786 1.00 0.74 H new ATOM 0 HA VAL A 74 4.828 6.248 -1.656 1.00 0.76 H new ATOM 0 HB VAL A 74 5.415 6.586 -3.966 1.00 0.85 H new ATOM 0 HG11 VAL A 74 7.914 6.597 -3.651 1.00 0.88 H new ATOM 0 HG12 VAL A 74 7.040 7.182 -2.216 1.00 0.88 H new ATOM 0 HG13 VAL A 74 7.708 5.533 -2.240 1.00 0.88 H new ATOM 0 HG21 VAL A 74 6.890 5.104 -5.240 1.00 0.93 H new ATOM 0 HG22 VAL A 74 6.628 3.832 -4.024 1.00 0.93 H new ATOM 0 HG23 VAL A 74 5.259 4.443 -4.982 1.00 0.93 H new ATOM 1203 N PHE A 75 3.289 3.712 -3.099 1.00 0.79 N ATOM 1204 CA PHE A 75 1.950 3.293 -3.509 1.00 0.76 C ATOM 1205 C PHE A 75 0.924 3.563 -2.413 1.00 0.74 C ATOM 1206 O PHE A 75 -0.084 4.202 -2.698 1.00 0.77 O ATOM 1207 CB PHE A 75 1.921 1.816 -3.899 1.00 0.69 C ATOM 1208 CG PHE A 75 0.623 1.439 -4.586 1.00 0.58 C ATOM 1209 CD1 PHE A 75 -0.536 1.116 -3.854 1.00 1.75 C ATOM 1210 CD2 PHE A 75 0.568 1.478 -5.989 1.00 1.89 C ATOM 1211 CE1 PHE A 75 -1.716 0.755 -4.531 1.00 1.80 C ATOM 1212 CE2 PHE A 75 -0.600 1.100 -6.658 1.00 1.84 C ATOM 1213 CZ PHE A 75 -1.738 0.713 -5.928 1.00 0.59 C ATOM 0 H PHE A 75 3.949 2.944 -2.980 1.00 0.79 H new ATOM 0 HA PHE A 75 1.686 3.885 -4.385 1.00 0.76 H new ATOM 0 HB2 PHE A 75 2.759 1.599 -4.561 1.00 0.69 H new ATOM 0 HB3 PHE A 75 2.052 1.202 -3.008 1.00 0.69 H new ATOM 0 HD1 PHE A 75 -0.519 1.145 -2.775 1.00 1.75 H new ATOM 0 HD2 PHE A 75 1.431 1.801 -6.553 1.00 1.89 H new ATOM 0 HE1 PHE A 75 -2.606 0.510 -3.970 1.00 1.80 H new ATOM 0 HE2 PHE A 75 -0.628 1.105 -7.738 1.00 1.84 H new ATOM 0 HZ PHE A 75 -2.627 0.384 -6.446 1.00 0.59 H new ATOM 1223 N LEU A 76 1.191 3.160 -1.160 1.00 0.71 N ATOM 1224 CA LEU A 76 0.348 3.464 0.007 1.00 0.72 C ATOM 1225 C LEU A 76 0.104 4.967 0.147 1.00 0.70 C ATOM 1226 O LEU A 76 -1.021 5.391 0.393 1.00 0.72 O ATOM 1227 CB LEU A 76 1.028 2.963 1.299 1.00 0.76 C ATOM 1228 CG LEU A 76 1.129 1.439 1.481 1.00 0.96 C ATOM 1229 CD1 LEU A 76 1.876 1.174 2.794 1.00 1.32 C ATOM 1230 CD2 LEU A 76 -0.245 0.764 1.486 1.00 0.98 C ATOM 0 H LEU A 76 2.013 2.604 -0.926 1.00 0.71 H new ATOM 0 HA LEU A 76 -0.606 2.959 -0.144 1.00 0.72 H new ATOM 0 HB2 LEU A 76 2.035 3.377 1.336 1.00 0.76 H new ATOM 0 HB3 LEU A 76 0.484 3.372 2.150 1.00 0.76 H new ATOM 0 HG LEU A 76 1.671 1.010 0.638 1.00 0.96 H new ATOM 0 HD11 LEU A 76 1.964 0.099 2.952 1.00 1.32 H new ATOM 0 HD12 LEU A 76 2.871 1.616 2.742 1.00 1.32 H new ATOM 0 HD13 LEU A 76 1.324 1.618 3.622 1.00 1.32 H new ATOM 0 HD21 LEU A 76 -0.122 -0.311 1.617 1.00 0.98 H new ATOM 0 HD22 LEU A 76 -0.844 1.163 2.305 1.00 0.98 H new ATOM 0 HD23 LEU A 76 -0.749 0.959 0.540 1.00 0.98 H new ATOM 1242 N THR A 77 1.151 5.764 -0.068 1.00 0.72 N ATOM 1243 CA THR A 77 1.112 7.228 -0.009 1.00 0.75 C ATOM 1244 C THR A 77 0.318 7.835 -1.165 1.00 0.80 C ATOM 1245 O THR A 77 -0.546 8.678 -0.930 1.00 0.83 O ATOM 1246 CB THR A 77 2.555 7.721 0.033 1.00 0.79 C ATOM 1247 OG1 THR A 77 3.108 7.288 1.249 1.00 0.72 O ATOM 1248 CG2 THR A 77 2.644 9.240 -0.032 1.00 0.96 C ATOM 0 H THR A 77 2.077 5.400 -0.295 1.00 0.72 H new ATOM 0 HA THR A 77 0.584 7.553 0.888 1.00 0.75 H new ATOM 0 HB THR A 77 3.090 7.324 -0.830 1.00 0.79 H new ATOM 0 HG1 THR A 77 3.516 6.405 1.127 1.00 0.72 H new ATOM 0 HG21 THR A 77 3.690 9.545 0.001 1.00 0.96 H new ATOM 0 HG22 THR A 77 2.192 9.592 -0.960 1.00 0.96 H new ATOM 0 HG23 THR A 77 2.113 9.672 0.816 1.00 0.96 H new ATOM 1256 N MET A 78 0.560 7.382 -2.401 1.00 0.82 N ATOM 1257 CA MET A 78 -0.210 7.747 -3.597 1.00 0.85 C ATOM 1258 C MET A 78 -1.697 7.389 -3.454 1.00 0.85 C ATOM 1259 O MET A 78 -2.552 8.169 -3.856 1.00 0.91 O ATOM 1260 CB MET A 78 0.405 7.028 -4.810 1.00 0.87 C ATOM 1261 CG MET A 78 -0.191 7.451 -6.157 1.00 1.18 C ATOM 1262 SD MET A 78 0.903 8.474 -7.174 1.00 1.43 S ATOM 1263 CE MET A 78 2.031 7.168 -7.728 1.00 1.86 C ATOM 0 H MET A 78 1.320 6.732 -2.603 1.00 0.82 H new ATOM 0 HA MET A 78 -0.160 8.827 -3.732 1.00 0.85 H new ATOM 0 HB2 MET A 78 1.478 7.217 -4.825 1.00 0.87 H new ATOM 0 HB3 MET A 78 0.272 5.953 -4.688 1.00 0.87 H new ATOM 0 HG2 MET A 78 -0.457 6.556 -6.719 1.00 1.18 H new ATOM 0 HG3 MET A 78 -1.115 8.000 -5.975 1.00 1.18 H new ATOM 0 HE1 MET A 78 2.794 7.597 -8.378 1.00 1.86 H new ATOM 0 HE2 MET A 78 2.508 6.708 -6.863 1.00 1.86 H new ATOM 0 HE3 MET A 78 1.470 6.412 -8.277 1.00 1.86 H new ATOM 1273 N LEU A 79 -1.991 6.240 -2.847 1.00 0.84 N ATOM 1274 CA LEU A 79 -3.332 5.732 -2.581 1.00 0.93 C ATOM 1275 C LEU A 79 -4.033 6.527 -1.469 1.00 0.93 C ATOM 1276 O LEU A 79 -5.206 6.842 -1.604 1.00 1.01 O ATOM 1277 CB LEU A 79 -3.190 4.231 -2.260 1.00 1.12 C ATOM 1278 CG LEU A 79 -4.508 3.487 -2.007 1.00 1.13 C ATOM 1279 CD1 LEU A 79 -5.428 3.513 -3.235 1.00 1.74 C ATOM 1280 CD2 LEU A 79 -4.202 2.038 -1.606 1.00 2.21 C ATOM 0 H LEU A 79 -1.263 5.609 -2.512 1.00 0.84 H new ATOM 0 HA LEU A 79 -3.976 5.857 -3.451 1.00 0.93 H new ATOM 0 HB2 LEU A 79 -2.672 3.747 -3.088 1.00 1.12 H new ATOM 0 HB3 LEU A 79 -2.556 4.123 -1.380 1.00 1.12 H new ATOM 0 HG LEU A 79 -5.035 3.995 -1.199 1.00 1.13 H new ATOM 0 HD11 LEU A 79 -6.349 2.975 -3.011 1.00 1.74 H new ATOM 0 HD12 LEU A 79 -5.664 4.546 -3.491 1.00 1.74 H new ATOM 0 HD13 LEU A 79 -4.925 3.037 -4.077 1.00 1.74 H new ATOM 0 HD21 LEU A 79 -5.136 1.506 -1.425 1.00 2.21 H new ATOM 0 HD22 LEU A 79 -3.654 1.546 -2.409 1.00 2.21 H new ATOM 0 HD23 LEU A 79 -3.599 2.031 -0.698 1.00 2.21 H new ATOM 1292 N CYS A 80 -3.317 6.905 -0.410 1.00 0.91 N ATOM 1293 CA CYS A 80 -3.835 7.749 0.669 1.00 0.93 C ATOM 1294 C CYS A 80 -4.276 9.135 0.149 1.00 0.90 C ATOM 1295 O CYS A 80 -5.392 9.581 0.420 1.00 1.04 O ATOM 1296 CB CYS A 80 -2.738 7.792 1.742 1.00 1.01 C ATOM 1297 SG CYS A 80 -3.347 8.537 3.272 1.00 1.18 S ATOM 0 H CYS A 80 -2.344 6.629 -0.275 1.00 0.91 H new ATOM 0 HA CYS A 80 -4.747 7.342 1.105 1.00 0.93 H new ATOM 0 HB2 CYS A 80 -2.383 6.781 1.943 1.00 1.01 H new ATOM 0 HB3 CYS A 80 -1.886 8.362 1.371 1.00 1.01 H new ATOM 0 HG CYS A 80 -2.394 8.554 4.156 1.00 1.18 H new ATOM 1303 N MET A 81 -3.483 9.767 -0.726 1.00 0.84 N ATOM 1304 CA MET A 81 -3.878 11.010 -1.412 1.00 0.92 C ATOM 1305 C MET A 81 -4.971 10.815 -2.479 1.00 1.06 C ATOM 1306 O MET A 81 -5.430 11.801 -3.046 1.00 1.31 O ATOM 1307 CB MET A 81 -2.667 11.776 -1.937 1.00 0.94 C ATOM 1308 CG MET A 81 -1.887 11.076 -3.051 1.00 2.30 C ATOM 1309 SD MET A 81 -0.569 12.055 -3.825 1.00 3.20 S ATOM 1310 CE MET A 81 -0.070 13.092 -2.428 1.00 3.42 C ATOM 0 H MET A 81 -2.553 9.435 -0.979 1.00 0.84 H new ATOM 0 HA MET A 81 -4.347 11.634 -0.651 1.00 0.92 H new ATOM 0 HB2 MET A 81 -3.002 12.746 -2.304 1.00 0.94 H new ATOM 0 HB3 MET A 81 -1.989 11.967 -1.105 1.00 0.94 H new ATOM 0 HG2 MET A 81 -1.447 10.166 -2.644 1.00 2.30 H new ATOM 0 HG3 MET A 81 -2.591 10.771 -3.826 1.00 2.30 H new ATOM 0 HE1 MET A 81 0.856 13.613 -2.674 1.00 3.42 H new ATOM 0 HE2 MET A 81 -0.852 13.822 -2.219 1.00 3.42 H new ATOM 0 HE3 MET A 81 0.088 12.467 -1.549 1.00 3.42 H new ATOM 1320 N ALA A 82 -5.406 9.583 -2.763 1.00 1.04 N ATOM 1321 CA ALA A 82 -6.496 9.303 -3.701 1.00 1.22 C ATOM 1322 C ALA A 82 -7.904 9.482 -3.076 1.00 1.24 C ATOM 1323 O ALA A 82 -8.901 9.262 -3.772 1.00 1.49 O ATOM 1324 CB ALA A 82 -6.279 7.908 -4.312 1.00 1.32 C ATOM 0 H ALA A 82 -5.006 8.744 -2.343 1.00 1.04 H new ATOM 0 HA ALA A 82 -6.468 10.045 -4.499 1.00 1.22 H new ATOM 0 HB1 ALA A 82 -7.085 7.688 -5.012 1.00 1.32 H new ATOM 0 HB2 ALA A 82 -5.325 7.886 -4.838 1.00 1.32 H new ATOM 0 HB3 ALA A 82 -6.274 7.160 -3.519 1.00 1.32 H new ATOM 1330 N TYR A 83 -7.999 9.853 -1.788 1.00 1.06 N ATOM 1331 CA TYR A 83 -9.260 10.011 -1.033 1.00 1.20 C ATOM 1332 C TYR A 83 -9.177 10.625 0.381 1.00 1.30 C ATOM 1333 O TYR A 83 -10.233 10.826 0.977 1.00 1.69 O ATOM 1334 CB TYR A 83 -9.991 8.662 -0.941 1.00 1.36 C ATOM 1335 CG TYR A 83 -9.136 7.517 -0.444 1.00 1.44 C ATOM 1336 CD1 TYR A 83 -8.850 7.368 0.930 1.00 1.64 C ATOM 1337 CD2 TYR A 83 -8.646 6.587 -1.371 1.00 2.95 C ATOM 1338 CE1 TYR A 83 -7.988 6.341 1.354 1.00 1.64 C ATOM 1339 CE2 TYR A 83 -7.859 5.512 -0.941 1.00 3.23 C ATOM 1340 CZ TYR A 83 -7.476 5.415 0.415 1.00 1.95 C ATOM 1341 OH TYR A 83 -6.627 4.431 0.811 1.00 2.32 O ATOM 0 H TYR A 83 -7.175 10.059 -1.223 1.00 1.06 H new ATOM 0 HA TYR A 83 -9.804 10.751 -1.620 1.00 1.20 H new ATOM 0 HB2 TYR A 83 -10.849 8.773 -0.278 1.00 1.36 H new ATOM 0 HB3 TYR A 83 -10.381 8.407 -1.926 1.00 1.36 H new ATOM 0 HD1 TYR A 83 -9.291 8.039 1.652 1.00 1.64 H new ATOM 0 HD2 TYR A 83 -8.876 6.700 -2.420 1.00 2.95 H new ATOM 0 HE1 TYR A 83 -7.717 6.259 2.396 1.00 1.64 H new ATOM 0 HE2 TYR A 83 -7.545 4.757 -1.646 1.00 3.23 H new ATOM 0 HH TYR A 83 -6.741 3.648 0.233 1.00 2.32 H new ATOM 1351 N ASN A 84 -7.997 10.919 0.943 1.00 1.43 N ATOM 1352 CA ASN A 84 -7.893 11.680 2.203 1.00 1.48 C ATOM 1353 C ASN A 84 -7.879 13.208 1.996 1.00 1.50 C ATOM 1354 O ASN A 84 -7.257 13.953 2.755 1.00 1.85 O ATOM 1355 CB ASN A 84 -6.773 11.128 3.104 1.00 1.97 C ATOM 1356 CG ASN A 84 -7.214 9.893 3.885 1.00 3.43 C ATOM 1357 OD1 ASN A 84 -8.391 9.629 4.100 1.00 4.46 O ATOM 1358 ND2 ASN A 84 -6.272 9.106 4.358 1.00 4.03 N ATOM 0 H ASN A 84 -7.098 10.643 0.547 1.00 1.43 H new ATOM 0 HA ASN A 84 -8.815 11.518 2.761 1.00 1.48 H new ATOM 0 HB2 ASN A 84 -5.907 10.878 2.491 1.00 1.97 H new ATOM 0 HB3 ASN A 84 -6.456 11.903 3.802 1.00 1.97 H new ATOM 0 HD21 ASN A 84 -6.523 8.280 4.901 1.00 4.03 H new ATOM 0 HD22 ASN A 84 -5.291 9.322 4.181 1.00 4.03 H new ATOM 1365 N ASP A 85 -8.655 13.701 1.027 1.00 1.71 N ATOM 1366 CA ASP A 85 -9.095 15.093 0.956 1.00 1.88 C ATOM 1367 C ASP A 85 -10.051 15.486 2.104 1.00 1.78 C ATOM 1368 O ASP A 85 -10.295 16.667 2.322 1.00 1.90 O ATOM 1369 CB ASP A 85 -9.685 15.383 -0.430 1.00 2.71 C ATOM 1370 CG ASP A 85 -10.873 14.502 -0.826 1.00 3.08 C ATOM 1371 OD1 ASP A 85 -10.692 13.263 -0.860 1.00 4.05 O ATOM 1372 OD2 ASP A 85 -11.943 15.077 -1.137 1.00 3.65 O ATOM 0 H ASP A 85 -9.001 13.130 0.255 1.00 1.71 H new ATOM 0 HA ASP A 85 -8.220 15.727 1.095 1.00 1.88 H new ATOM 0 HB2 ASP A 85 -9.999 16.426 -0.463 1.00 2.71 H new ATOM 0 HB3 ASP A 85 -8.899 15.263 -1.175 1.00 2.71 H new ATOM 1377 N PHE A 86 -10.495 14.516 2.918 1.00 1.96 N ATOM 1378 CA PHE A 86 -11.175 14.736 4.199 1.00 2.39 C ATOM 1379 C PHE A 86 -10.401 15.625 5.199 1.00 2.31 C ATOM 1380 O PHE A 86 -10.983 16.063 6.188 1.00 2.88 O ATOM 1381 CB PHE A 86 -11.439 13.368 4.854 1.00 2.75 C ATOM 1382 CG PHE A 86 -12.295 12.388 4.067 1.00 3.53 C ATOM 1383 CD1 PHE A 86 -13.596 12.742 3.657 1.00 4.19 C ATOM 1384 CD2 PHE A 86 -11.819 11.088 3.811 1.00 4.39 C ATOM 1385 CE1 PHE A 86 -14.412 11.804 3.000 1.00 5.18 C ATOM 1386 CE2 PHE A 86 -12.636 10.147 3.157 1.00 5.44 C ATOM 1387 CZ PHE A 86 -13.933 10.502 2.757 1.00 5.66 C ATOM 0 H PHE A 86 -10.386 13.527 2.694 1.00 1.96 H new ATOM 0 HA PHE A 86 -12.095 15.274 3.968 1.00 2.39 H new ATOM 0 HB2 PHE A 86 -10.477 12.895 5.054 1.00 2.75 H new ATOM 0 HB3 PHE A 86 -11.917 13.539 5.819 1.00 2.75 H new ATOM 0 HD1 PHE A 86 -13.968 13.738 3.848 1.00 4.19 H new ATOM 0 HD2 PHE A 86 -10.821 10.811 4.118 1.00 4.39 H new ATOM 0 HE1 PHE A 86 -15.406 12.082 2.682 1.00 5.18 H new ATOM 0 HE2 PHE A 86 -12.265 9.152 2.963 1.00 5.44 H new ATOM 0 HZ PHE A 86 -14.564 9.778 2.263 1.00 5.66 H new ATOM 1397 N PHE A 87 -9.100 15.862 4.985 1.00 1.87 N ATOM 1398 CA PHE A 87 -8.242 16.703 5.833 1.00 2.12 C ATOM 1399 C PHE A 87 -8.018 18.123 5.270 1.00 2.01 C ATOM 1400 O PHE A 87 -7.284 18.907 5.874 1.00 2.43 O ATOM 1401 CB PHE A 87 -6.890 15.984 6.002 1.00 2.20 C ATOM 1402 CG PHE A 87 -6.937 14.718 6.833 1.00 2.63 C ATOM 1403 CD1 PHE A 87 -7.292 13.489 6.244 1.00 3.19 C ATOM 1404 CD2 PHE A 87 -6.608 14.763 8.201 1.00 3.48 C ATOM 1405 CE1 PHE A 87 -7.300 12.310 7.011 1.00 3.80 C ATOM 1406 CE2 PHE A 87 -6.616 13.586 8.968 1.00 4.16 C ATOM 1407 CZ PHE A 87 -6.959 12.358 8.374 1.00 4.05 C ATOM 0 H PHE A 87 -8.599 15.461 4.192 1.00 1.87 H new ATOM 0 HA PHE A 87 -8.747 16.840 6.789 1.00 2.12 H new ATOM 0 HB2 PHE A 87 -6.501 15.738 5.014 1.00 2.20 H new ATOM 0 HB3 PHE A 87 -6.183 16.675 6.460 1.00 2.20 H new ATOM 0 HD1 PHE A 87 -7.559 13.452 5.198 1.00 3.19 H new ATOM 0 HD2 PHE A 87 -6.349 15.705 8.662 1.00 3.48 H new ATOM 0 HE1 PHE A 87 -7.568 11.369 6.553 1.00 3.80 H new ATOM 0 HE2 PHE A 87 -6.358 13.624 10.016 1.00 4.16 H new ATOM 0 HZ PHE A 87 -6.960 11.453 8.964 1.00 4.05 H new ATOM 1417 N LEU A 88 -8.548 18.418 4.081 1.00 1.64 N ATOM 1418 CA LEU A 88 -8.258 19.617 3.280 1.00 1.64 C ATOM 1419 C LEU A 88 -9.401 20.646 3.405 1.00 1.99 C ATOM 1420 O LEU A 88 -10.356 20.412 4.139 1.00 2.60 O ATOM 1421 CB LEU A 88 -8.035 19.158 1.826 1.00 1.51 C ATOM 1422 CG LEU A 88 -6.688 18.498 1.474 1.00 2.23 C ATOM 1423 CD1 LEU A 88 -5.533 19.505 1.485 1.00 2.73 C ATOM 1424 CD2 LEU A 88 -6.317 17.321 2.385 1.00 3.32 C ATOM 0 H LEU A 88 -9.222 17.802 3.627 1.00 1.64 H new ATOM 0 HA LEU A 88 -7.361 20.121 3.640 1.00 1.64 H new ATOM 0 HB2 LEU A 88 -8.828 18.454 1.573 1.00 1.51 H new ATOM 0 HB3 LEU A 88 -8.161 20.026 1.179 1.00 1.51 H new ATOM 0 HG LEU A 88 -6.835 18.111 0.466 1.00 2.23 H new ATOM 0 HD11 LEU A 88 -4.603 18.995 1.231 1.00 2.73 H new ATOM 0 HD12 LEU A 88 -5.728 20.290 0.754 1.00 2.73 H new ATOM 0 HD13 LEU A 88 -5.445 19.947 2.477 1.00 2.73 H new ATOM 0 HD21 LEU A 88 -5.357 16.909 2.075 1.00 3.32 H new ATOM 0 HD22 LEU A 88 -6.247 17.667 3.416 1.00 3.32 H new ATOM 0 HD23 LEU A 88 -7.083 16.549 2.312 1.00 3.32 H new ATOM 1517 N GLU B 2 -10.856 0.343 10.441 1.00 1.69 N ATOM 1518 CA GLU B 2 -11.159 -0.623 9.398 1.00 2.06 C ATOM 1519 C GLU B 2 -10.221 -1.830 9.531 1.00 1.89 C ATOM 1520 O GLU B 2 -10.692 -2.938 9.766 1.00 2.69 O ATOM 1521 CB GLU B 2 -11.083 0.059 8.004 1.00 3.60 C ATOM 1522 CG GLU B 2 -9.740 0.695 7.566 1.00 5.10 C ATOM 1523 CD GLU B 2 -9.193 1.687 8.586 1.00 5.01 C ATOM 1524 OE1 GLU B 2 -8.501 1.237 9.546 1.00 5.24 O ATOM 1525 OE2 GLU B 2 -9.700 2.830 8.640 1.00 5.19 O ATOM 0 HA GLU B 2 -12.178 -0.995 9.507 1.00 2.06 H new ATOM 0 HB2 GLU B 2 -11.358 -0.684 7.256 1.00 3.60 H new ATOM 0 HB3 GLU B 2 -11.845 0.838 7.974 1.00 3.60 H new ATOM 0 HG2 GLU B 2 -9.006 -0.094 7.404 1.00 5.10 H new ATOM 0 HG3 GLU B 2 -9.878 1.202 6.611 1.00 5.10 H new ATOM 1532 N THR B 3 -8.896 -1.632 9.452 1.00 1.13 N ATOM 1533 CA THR B 3 -7.928 -2.722 9.168 1.00 1.16 C ATOM 1534 C THR B 3 -6.503 -2.326 9.602 1.00 1.14 C ATOM 1535 O THR B 3 -6.319 -1.164 9.974 1.00 1.11 O ATOM 1536 CB THR B 3 -7.964 -3.129 7.681 1.00 1.35 C ATOM 1537 OG1 THR B 3 -7.333 -2.117 6.946 1.00 1.43 O ATOM 1538 CG2 THR B 3 -9.315 -3.435 7.039 1.00 1.77 C ATOM 0 H THR B 3 -8.459 -0.719 9.581 1.00 1.13 H new ATOM 0 HA THR B 3 -8.226 -3.591 9.755 1.00 1.16 H new ATOM 0 HB THR B 3 -7.459 -4.095 7.658 1.00 1.35 H new ATOM 0 HG1 THR B 3 -6.530 -2.478 6.516 1.00 1.43 H new ATOM 0 HG21 THR B 3 -9.168 -3.704 5.993 1.00 1.77 H new ATOM 0 HG22 THR B 3 -9.788 -4.265 7.564 1.00 1.77 H new ATOM 0 HG23 THR B 3 -9.955 -2.555 7.100 1.00 1.77 H new ATOM 1546 N PRO B 4 -5.485 -3.215 9.647 1.00 1.26 N ATOM 1547 CA PRO B 4 -4.203 -2.865 10.265 1.00 1.30 C ATOM 1548 C PRO B 4 -3.265 -2.064 9.351 1.00 1.31 C ATOM 1549 O PRO B 4 -2.421 -1.343 9.876 1.00 1.47 O ATOM 1550 CB PRO B 4 -3.575 -4.202 10.674 1.00 1.44 C ATOM 1551 CG PRO B 4 -4.096 -5.160 9.606 1.00 1.52 C ATOM 1552 CD PRO B 4 -5.505 -4.638 9.324 1.00 1.44 C ATOM 0 HA PRO B 4 -4.368 -2.199 11.112 1.00 1.30 H new ATOM 0 HB2 PRO B 4 -2.486 -4.153 10.677 1.00 1.44 H new ATOM 0 HB3 PRO B 4 -3.884 -4.505 11.675 1.00 1.44 H new ATOM 0 HG2 PRO B 4 -3.474 -5.142 8.711 1.00 1.52 H new ATOM 0 HG3 PRO B 4 -4.112 -6.190 9.963 1.00 1.52 H new ATOM 0 HD2 PRO B 4 -5.777 -4.796 8.280 1.00 1.44 H new ATOM 0 HD3 PRO B 4 -6.243 -5.164 9.929 1.00 1.44 H new ATOM 1560 N LEU B 5 -3.398 -2.142 8.019 1.00 1.23 N ATOM 1561 CA LEU B 5 -2.530 -1.398 7.096 1.00 1.28 C ATOM 1562 C LEU B 5 -2.701 0.121 7.239 1.00 1.04 C ATOM 1563 O LEU B 5 -1.708 0.838 7.350 1.00 1.19 O ATOM 1564 CB LEU B 5 -2.804 -1.892 5.668 1.00 1.42 C ATOM 1565 CG LEU B 5 -1.999 -1.216 4.542 1.00 1.67 C ATOM 1566 CD1 LEU B 5 -0.494 -1.208 4.813 1.00 1.79 C ATOM 1567 CD2 LEU B 5 -2.269 -1.984 3.239 1.00 2.45 C ATOM 0 H LEU B 5 -4.102 -2.716 7.555 1.00 1.23 H new ATOM 0 HA LEU B 5 -1.486 -1.589 7.343 1.00 1.28 H new ATOM 0 HB2 LEU B 5 -2.606 -2.963 5.633 1.00 1.42 H new ATOM 0 HB3 LEU B 5 -3.865 -1.757 5.458 1.00 1.42 H new ATOM 0 HG LEU B 5 -2.318 -0.176 4.475 1.00 1.67 H new ATOM 0 HD11 LEU B 5 0.022 -0.719 3.986 1.00 1.79 H new ATOM 0 HD12 LEU B 5 -0.294 -0.666 5.737 1.00 1.79 H new ATOM 0 HD13 LEU B 5 -0.136 -2.233 4.909 1.00 1.79 H new ATOM 0 HD21 LEU B 5 -1.710 -1.525 2.424 1.00 2.45 H new ATOM 0 HD22 LEU B 5 -1.955 -3.021 3.356 1.00 2.45 H new ATOM 0 HD23 LEU B 5 -3.335 -1.951 3.012 1.00 2.45 H new ATOM 1579 N GLU B 6 -3.946 0.598 7.325 1.00 0.91 N ATOM 1580 CA GLU B 6 -4.279 2.007 7.575 1.00 0.98 C ATOM 1581 C GLU B 6 -3.662 2.562 8.880 1.00 1.10 C ATOM 1582 O GLU B 6 -3.380 3.751 9.009 1.00 1.13 O ATOM 1583 CB GLU B 6 -5.811 2.151 7.560 1.00 1.05 C ATOM 1584 CG GLU B 6 -6.333 3.570 7.831 1.00 1.61 C ATOM 1585 CD GLU B 6 -5.628 4.643 7.001 1.00 2.97 C ATOM 1586 OE1 GLU B 6 -5.383 4.392 5.804 1.00 3.93 O ATOM 1587 OE2 GLU B 6 -5.281 5.692 7.583 1.00 3.85 O ATOM 0 H GLU B 6 -4.769 0.005 7.221 1.00 0.91 H new ATOM 0 HA GLU B 6 -3.838 2.612 6.783 1.00 0.98 H new ATOM 0 HB2 GLU B 6 -6.182 1.823 6.589 1.00 1.05 H new ATOM 0 HB3 GLU B 6 -6.231 1.477 8.306 1.00 1.05 H new ATOM 0 HG2 GLU B 6 -7.402 3.602 7.621 1.00 1.61 H new ATOM 0 HG3 GLU B 6 -6.209 3.799 8.889 1.00 1.61 H new ATOM 1594 N LYS B 7 -3.362 1.704 9.860 1.00 1.27 N ATOM 1595 CA LYS B 7 -2.666 2.120 11.085 1.00 1.53 C ATOM 1596 C LYS B 7 -1.204 2.534 10.855 1.00 1.63 C ATOM 1597 O LYS B 7 -0.563 3.069 11.761 1.00 2.05 O ATOM 1598 CB LYS B 7 -2.807 1.039 12.165 1.00 1.73 C ATOM 1599 CG LYS B 7 -4.230 0.525 12.358 1.00 1.86 C ATOM 1600 CD LYS B 7 -5.211 1.674 12.581 1.00 1.98 C ATOM 1601 CE LYS B 7 -6.528 1.077 13.031 1.00 2.90 C ATOM 1602 NZ LYS B 7 -7.287 0.506 11.892 1.00 4.11 N ATOM 0 H LYS B 7 -3.591 0.711 9.829 1.00 1.27 H new ATOM 0 HA LYS B 7 -3.154 3.028 11.439 1.00 1.53 H new ATOM 0 HB2 LYS B 7 -2.162 0.199 11.908 1.00 1.73 H new ATOM 0 HB3 LYS B 7 -2.446 1.440 13.112 1.00 1.73 H new ATOM 0 HG2 LYS B 7 -4.533 -0.050 11.483 1.00 1.86 H new ATOM 0 HG3 LYS B 7 -4.261 -0.153 13.211 1.00 1.86 H new ATOM 0 HD2 LYS B 7 -4.827 2.363 13.333 1.00 1.98 H new ATOM 0 HD3 LYS B 7 -5.345 2.246 11.663 1.00 1.98 H new ATOM 0 HE2 LYS B 7 -6.341 0.299 13.771 1.00 2.90 H new ATOM 0 HE3 LYS B 7 -7.128 1.845 13.520 1.00 2.90 H new ATOM 0 HZ1 LYS B 7 -8.183 0.106 12.237 1.00 4.11 H new ATOM 0 HZ2 LYS B 7 -7.487 1.254 11.198 1.00 4.11 H new ATOM 0 HZ3 LYS B 7 -6.725 -0.244 11.441 1.00 4.11 H new ATOM 1616 N ALA B 8 -0.695 2.354 9.639 1.00 1.43 N ATOM 1617 CA ALA B 8 0.443 3.117 9.142 1.00 1.39 C ATOM 1618 C ALA B 8 0.036 4.547 8.740 1.00 0.94 C ATOM 1619 O ALA B 8 0.512 5.509 9.343 1.00 0.79 O ATOM 1620 CB ALA B 8 1.105 2.346 7.998 1.00 1.66 C ATOM 0 H ALA B 8 -1.061 1.675 8.972 1.00 1.43 H new ATOM 0 HA ALA B 8 1.175 3.235 9.940 1.00 1.39 H new ATOM 0 HB1 ALA B 8 1.957 2.913 7.623 1.00 1.66 H new ATOM 0 HB2 ALA B 8 1.446 1.377 8.362 1.00 1.66 H new ATOM 0 HB3 ALA B 8 0.384 2.199 7.194 1.00 1.66 H new ATOM 1626 N LEU B 9 -0.851 4.694 7.747 1.00 0.85 N ATOM 1627 CA LEU B 9 -1.174 5.972 7.109 1.00 0.75 C ATOM 1628 C LEU B 9 -1.760 6.989 8.105 1.00 0.68 C ATOM 1629 O LEU B 9 -1.142 8.045 8.281 1.00 0.73 O ATOM 1630 CB LEU B 9 -2.113 5.726 5.909 1.00 0.76 C ATOM 1631 CG LEU B 9 -1.532 5.053 4.645 1.00 0.69 C ATOM 1632 CD1 LEU B 9 -0.342 5.846 4.075 1.00 0.82 C ATOM 1633 CD2 LEU B 9 -1.127 3.587 4.854 1.00 0.71 C ATOM 0 H LEU B 9 -1.374 3.909 7.358 1.00 0.85 H new ATOM 0 HA LEU B 9 -0.250 6.419 6.742 1.00 0.75 H new ATOM 0 HB2 LEU B 9 -2.944 5.114 6.258 1.00 0.76 H new ATOM 0 HB3 LEU B 9 -2.529 6.688 5.611 1.00 0.76 H new ATOM 0 HG LEU B 9 -2.349 5.058 3.923 1.00 0.69 H new ATOM 0 HD11 LEU B 9 0.039 5.342 3.187 1.00 0.82 H new ATOM 0 HD12 LEU B 9 -0.669 6.851 3.809 1.00 0.82 H new ATOM 0 HD13 LEU B 9 0.447 5.907 4.825 1.00 0.82 H new ATOM 0 HD21 LEU B 9 -0.728 3.183 3.923 1.00 0.71 H new ATOM 0 HD22 LEU B 9 -0.365 3.527 5.631 1.00 0.71 H new ATOM 0 HD23 LEU B 9 -2.000 3.008 5.156 1.00 0.71 H new ATOM 1645 N THR B 10 -2.859 6.662 8.810 1.00 0.71 N ATOM 1646 CA THR B 10 -3.479 7.502 9.865 1.00 0.65 C ATOM 1647 C THR B 10 -2.442 8.033 10.849 1.00 0.61 C ATOM 1648 O THR B 10 -2.426 9.233 11.145 1.00 0.60 O ATOM 1649 CB THR B 10 -4.590 6.723 10.588 1.00 0.77 C ATOM 1650 OG1 THR B 10 -5.762 6.810 9.824 1.00 1.23 O ATOM 1651 CG2 THR B 10 -4.970 7.293 11.961 1.00 1.20 C ATOM 0 H THR B 10 -3.357 5.784 8.662 1.00 0.71 H new ATOM 0 HA THR B 10 -3.928 8.369 9.381 1.00 0.65 H new ATOM 0 HB THR B 10 -4.202 5.713 10.717 1.00 0.77 H new ATOM 0 HG1 THR B 10 -5.752 6.119 9.129 1.00 1.23 H new ATOM 0 HG21 THR B 10 -5.760 6.685 12.402 1.00 1.20 H new ATOM 0 HG22 THR B 10 -4.097 7.282 12.614 1.00 1.20 H new ATOM 0 HG23 THR B 10 -5.323 8.318 11.844 1.00 1.20 H new ATOM 1659 N THR B 11 -1.548 7.159 11.322 1.00 0.65 N ATOM 1660 CA THR B 11 -0.483 7.497 12.274 1.00 0.67 C ATOM 1661 C THR B 11 0.475 8.519 11.670 1.00 0.64 C ATOM 1662 O THR B 11 0.762 9.539 12.297 1.00 0.71 O ATOM 1663 CB THR B 11 0.240 6.216 12.699 1.00 0.82 C ATOM 1664 OG1 THR B 11 -0.715 5.309 13.203 1.00 1.03 O ATOM 1665 CG2 THR B 11 1.263 6.442 13.803 1.00 0.98 C ATOM 0 H THR B 11 -1.544 6.176 11.049 1.00 0.65 H new ATOM 0 HA THR B 11 -0.917 7.957 13.162 1.00 0.67 H new ATOM 0 HB THR B 11 0.762 5.842 11.818 1.00 0.82 H new ATOM 0 HG1 THR B 11 -0.922 4.639 12.519 1.00 1.03 H new ATOM 0 HG21 THR B 11 1.739 5.495 14.057 1.00 0.98 H new ATOM 0 HG22 THR B 11 2.019 7.148 13.459 1.00 0.98 H new ATOM 0 HG23 THR B 11 0.764 6.846 14.684 1.00 0.98 H new ATOM 1673 N MET B 12 0.921 8.291 10.427 1.00 0.65 N ATOM 1674 CA MET B 12 1.811 9.210 9.703 1.00 0.71 C ATOM 1675 C MET B 12 1.153 10.566 9.446 1.00 0.77 C ATOM 1676 O MET B 12 1.748 11.581 9.805 1.00 0.90 O ATOM 1677 CB MET B 12 2.282 8.579 8.383 1.00 0.80 C ATOM 1678 CG MET B 12 3.147 7.346 8.627 1.00 0.86 C ATOM 1679 SD MET B 12 3.277 6.256 7.188 1.00 0.99 S ATOM 1680 CE MET B 12 5.068 6.280 6.922 1.00 0.76 C ATOM 0 H MET B 12 0.673 7.459 9.892 1.00 0.65 H new ATOM 0 HA MET B 12 2.679 9.387 10.339 1.00 0.71 H new ATOM 0 HB2 MET B 12 1.416 8.303 7.781 1.00 0.80 H new ATOM 0 HB3 MET B 12 2.848 9.313 7.809 1.00 0.80 H new ATOM 0 HG2 MET B 12 4.146 7.666 8.921 1.00 0.86 H new ATOM 0 HG3 MET B 12 2.734 6.782 9.463 1.00 0.86 H new ATOM 0 HE1 MET B 12 5.394 5.308 6.551 1.00 0.76 H new ATOM 0 HE2 MET B 12 5.317 7.049 6.191 1.00 0.76 H new ATOM 0 HE3 MET B 12 5.573 6.497 7.863 1.00 0.76 H new ATOM 1690 N VAL B 13 -0.058 10.602 8.869 1.00 0.77 N ATOM 1691 CA VAL B 13 -0.734 11.866 8.501 1.00 0.85 C ATOM 1692 C VAL B 13 -1.052 12.721 9.733 1.00 0.79 C ATOM 1693 O VAL B 13 -0.921 13.941 9.665 1.00 0.88 O ATOM 1694 CB VAL B 13 -2.010 11.695 7.625 1.00 0.92 C ATOM 1695 CG1 VAL B 13 -1.669 11.044 6.273 1.00 1.02 C ATOM 1696 CG2 VAL B 13 -3.144 10.923 8.307 1.00 0.88 C ATOM 0 H VAL B 13 -0.597 9.766 8.644 1.00 0.77 H new ATOM 0 HA VAL B 13 -0.007 12.384 7.876 1.00 0.85 H new ATOM 0 HB VAL B 13 -2.382 12.707 7.465 1.00 0.92 H new ATOM 0 HG11 VAL B 13 -2.578 10.936 5.681 1.00 1.02 H new ATOM 0 HG12 VAL B 13 -0.959 11.672 5.736 1.00 1.02 H new ATOM 0 HG13 VAL B 13 -1.228 10.062 6.443 1.00 1.02 H new ATOM 0 HG21 VAL B 13 -3.994 10.850 7.628 1.00 0.88 H new ATOM 0 HG22 VAL B 13 -2.799 9.922 8.566 1.00 0.88 H new ATOM 0 HG23 VAL B 13 -3.448 11.447 9.213 1.00 0.88 H new ATOM 1706 N THR B 14 -1.376 12.098 10.874 1.00 0.69 N ATOM 1707 CA THR B 14 -1.619 12.801 12.148 1.00 0.69 C ATOM 1708 C THR B 14 -0.328 13.394 12.702 1.00 0.70 C ATOM 1709 O THR B 14 -0.301 14.577 13.042 1.00 0.88 O ATOM 1710 CB THR B 14 -2.262 11.857 13.170 1.00 0.66 C ATOM 1711 OG1 THR B 14 -3.436 11.329 12.612 1.00 0.95 O ATOM 1712 CG2 THR B 14 -2.672 12.587 14.450 1.00 0.90 C ATOM 0 H THR B 14 -1.478 11.085 10.943 1.00 0.69 H new ATOM 0 HA THR B 14 -2.309 13.622 11.954 1.00 0.69 H new ATOM 0 HB THR B 14 -1.528 11.089 13.414 1.00 0.66 H new ATOM 0 HG1 THR B 14 -3.213 10.558 12.050 1.00 0.95 H new ATOM 0 HG21 THR B 14 -3.123 11.878 15.145 1.00 0.90 H new ATOM 0 HG22 THR B 14 -1.792 13.036 14.910 1.00 0.90 H new ATOM 0 HG23 THR B 14 -3.394 13.367 14.209 1.00 0.90 H new ATOM 1720 N THR B 15 0.746 12.591 12.750 1.00 0.70 N ATOM 1721 CA THR B 15 2.062 13.000 13.271 1.00 0.89 C ATOM 1722 C THR B 15 2.664 14.104 12.409 1.00 1.03 C ATOM 1723 O THR B 15 3.159 15.087 12.950 1.00 1.28 O ATOM 1724 CB THR B 15 3.016 11.805 13.368 1.00 0.95 C ATOM 1725 OG1 THR B 15 2.407 10.753 14.082 1.00 2.09 O ATOM 1726 CG2 THR B 15 4.297 12.173 14.112 1.00 1.42 C ATOM 0 H THR B 15 0.726 11.625 12.423 1.00 0.70 H new ATOM 0 HA THR B 15 1.916 13.392 14.277 1.00 0.89 H new ATOM 0 HB THR B 15 3.252 11.504 12.347 1.00 0.95 H new ATOM 0 HG1 THR B 15 1.829 10.240 13.479 1.00 2.09 H new ATOM 0 HG21 THR B 15 4.951 11.303 14.163 1.00 1.42 H new ATOM 0 HG22 THR B 15 4.806 12.979 13.584 1.00 1.42 H new ATOM 0 HG23 THR B 15 4.050 12.500 15.122 1.00 1.42 H new ATOM 1734 N PHE B 16 2.566 13.980 11.082 1.00 0.95 N ATOM 1735 CA PHE B 16 2.938 14.992 10.092 1.00 1.02 C ATOM 1736 C PHE B 16 2.133 16.284 10.283 1.00 1.09 C ATOM 1737 O PHE B 16 2.721 17.352 10.459 1.00 1.36 O ATOM 1738 CB PHE B 16 2.733 14.360 8.698 1.00 0.98 C ATOM 1739 CG PHE B 16 3.086 15.190 7.472 1.00 1.01 C ATOM 1740 CD1 PHE B 16 2.147 16.080 6.914 1.00 1.48 C ATOM 1741 CD2 PHE B 16 4.300 14.960 6.801 1.00 2.14 C ATOM 1742 CE1 PHE B 16 2.424 16.730 5.698 1.00 1.48 C ATOM 1743 CE2 PHE B 16 4.557 15.575 5.562 1.00 2.14 C ATOM 1744 CZ PHE B 16 3.620 16.462 5.011 1.00 1.04 C ATOM 0 H PHE B 16 2.207 13.129 10.649 1.00 0.95 H new ATOM 0 HA PHE B 16 3.981 15.288 10.209 1.00 1.02 H new ATOM 0 HB2 PHE B 16 3.320 13.443 8.659 1.00 0.98 H new ATOM 0 HB3 PHE B 16 1.685 14.072 8.614 1.00 0.98 H new ATOM 0 HD1 PHE B 16 1.212 16.264 7.422 1.00 1.48 H new ATOM 0 HD2 PHE B 16 5.040 14.307 7.240 1.00 2.14 H new ATOM 0 HE1 PHE B 16 1.716 17.437 5.291 1.00 1.48 H new ATOM 0 HE2 PHE B 16 5.476 15.364 5.035 1.00 2.14 H new ATOM 0 HZ PHE B 16 3.817 16.937 4.062 1.00 1.04 H new ATOM 1754 N HIS B 17 0.800 16.207 10.300 1.00 0.90 N ATOM 1755 CA HIS B 17 -0.064 17.392 10.358 1.00 0.89 C ATOM 1756 C HIS B 17 0.170 18.262 11.605 1.00 0.85 C ATOM 1757 O HIS B 17 0.050 19.482 11.522 1.00 1.04 O ATOM 1758 CB HIS B 17 -1.535 16.963 10.247 1.00 0.85 C ATOM 1759 CG HIS B 17 -2.515 18.114 10.258 1.00 1.16 C ATOM 1760 ND1 HIS B 17 -3.625 18.234 11.063 1.00 1.83 N ATOM 1761 CD2 HIS B 17 -2.476 19.238 9.474 1.00 1.86 C ATOM 1762 CE1 HIS B 17 -4.238 19.396 10.762 1.00 2.19 C ATOM 1763 NE2 HIS B 17 -3.576 20.040 9.791 1.00 2.13 N ATOM 0 H HIS B 17 0.289 15.325 10.274 1.00 0.90 H new ATOM 0 HA HIS B 17 0.199 18.024 9.510 1.00 0.89 H new ATOM 0 HB2 HIS B 17 -1.668 16.395 9.326 1.00 0.85 H new ATOM 0 HB3 HIS B 17 -1.770 16.292 11.073 1.00 0.85 H new ATOM 0 HD2 HIS B 17 -1.722 19.466 8.735 1.00 1.86 H new ATOM 0 HE1 HIS B 17 -5.138 19.758 11.237 1.00 2.19 H new ATOM 0 HE2 HIS B 17 -3.825 20.935 9.369 1.00 2.13 H new ATOM 1772 N LYS B 18 0.606 17.684 12.733 1.00 0.80 N ATOM 1773 CA LYS B 18 0.999 18.441 13.935 1.00 0.91 C ATOM 1774 C LYS B 18 2.039 19.550 13.654 1.00 1.01 C ATOM 1775 O LYS B 18 2.108 20.538 14.384 1.00 1.14 O ATOM 1776 CB LYS B 18 1.509 17.419 14.974 1.00 0.99 C ATOM 1777 CG LYS B 18 1.627 17.947 16.420 1.00 1.52 C ATOM 1778 CD LYS B 18 3.061 18.056 16.972 1.00 2.32 C ATOM 1779 CE LYS B 18 3.855 19.187 16.307 1.00 3.70 C ATOM 1780 NZ LYS B 18 5.194 19.388 16.912 1.00 4.93 N ATOM 0 H LYS B 18 0.697 16.674 12.840 1.00 0.80 H new ATOM 0 HA LYS B 18 0.132 18.980 14.317 1.00 0.91 H new ATOM 0 HB2 LYS B 18 0.838 16.560 14.973 1.00 0.99 H new ATOM 0 HB3 LYS B 18 2.488 17.060 14.655 1.00 0.99 H new ATOM 0 HG2 LYS B 18 1.162 18.932 16.468 1.00 1.52 H new ATOM 0 HG3 LYS B 18 1.053 17.292 17.075 1.00 1.52 H new ATOM 0 HD2 LYS B 18 3.022 18.226 18.048 1.00 2.32 H new ATOM 0 HD3 LYS B 18 3.581 17.110 16.817 1.00 2.32 H new ATOM 0 HE2 LYS B 18 3.971 18.967 15.246 1.00 3.70 H new ATOM 0 HE3 LYS B 18 3.287 20.114 16.380 1.00 3.70 H new ATOM 0 HZ1 LYS B 18 5.410 20.405 16.947 1.00 4.93 H new ATOM 0 HZ2 LYS B 18 5.201 18.999 17.877 1.00 4.93 H new ATOM 0 HZ3 LYS B 18 5.911 18.901 16.337 1.00 4.93 H new ATOM 1794 N TYR B 19 2.899 19.370 12.648 1.00 1.13 N ATOM 1795 CA TYR B 19 3.956 20.311 12.256 1.00 1.27 C ATOM 1796 C TYR B 19 3.540 21.124 11.016 1.00 1.38 C ATOM 1797 O TYR B 19 3.734 22.333 10.994 1.00 1.91 O ATOM 1798 CB TYR B 19 5.257 19.525 12.020 1.00 1.26 C ATOM 1799 CG TYR B 19 5.806 18.778 13.231 1.00 1.24 C ATOM 1800 CD1 TYR B 19 5.221 17.564 13.621 1.00 2.16 C ATOM 1801 CD2 TYR B 19 6.934 19.246 13.937 1.00 2.17 C ATOM 1802 CE1 TYR B 19 5.750 16.816 14.691 1.00 2.28 C ATOM 1803 CE2 TYR B 19 7.474 18.511 15.006 1.00 2.13 C ATOM 1804 CZ TYR B 19 6.891 17.278 15.374 1.00 1.37 C ATOM 1805 OH TYR B 19 7.408 16.566 16.407 1.00 1.52 O ATOM 0 H TYR B 19 2.879 18.535 12.062 1.00 1.13 H new ATOM 0 HA TYR B 19 4.123 21.032 13.056 1.00 1.27 H new ATOM 0 HB2 TYR B 19 5.085 18.806 11.219 1.00 1.26 H new ATOM 0 HB3 TYR B 19 6.020 20.219 11.667 1.00 1.26 H new ATOM 0 HD1 TYR B 19 4.353 17.198 13.093 1.00 2.16 H new ATOM 0 HD2 TYR B 19 7.389 20.183 13.652 1.00 2.17 H new ATOM 0 HE1 TYR B 19 5.281 15.889 14.987 1.00 2.28 H new ATOM 0 HE2 TYR B 19 8.331 18.887 15.544 1.00 2.13 H new ATOM 0 HH TYR B 19 7.229 15.612 16.269 1.00 1.52 H new ATOM 1815 N SER B 20 2.864 20.521 10.033 1.00 1.22 N ATOM 1816 CA SER B 20 2.269 21.248 8.892 1.00 1.25 C ATOM 1817 C SER B 20 1.324 22.369 9.360 1.00 1.50 C ATOM 1818 O SER B 20 1.431 23.516 8.913 1.00 2.01 O ATOM 1819 CB SER B 20 1.476 20.283 7.998 1.00 1.16 C ATOM 1820 OG SER B 20 2.018 18.981 7.961 1.00 1.94 O ATOM 0 H SER B 20 2.710 19.513 10.000 1.00 1.22 H new ATOM 0 HA SER B 20 3.093 21.691 8.333 1.00 1.25 H new ATOM 0 HB2 SER B 20 0.448 20.231 8.355 1.00 1.16 H new ATOM 0 HB3 SER B 20 1.442 20.683 6.985 1.00 1.16 H new ATOM 0 HG SER B 20 1.821 18.569 7.094 1.00 1.94 H new ATOM 1826 N GLY B 21 0.481 22.062 10.360 1.00 1.51 N ATOM 1827 CA GLY B 21 -0.480 22.968 10.989 1.00 1.84 C ATOM 1828 C GLY B 21 0.138 24.024 11.908 1.00 2.16 C ATOM 1829 O GLY B 21 -0.594 24.668 12.654 1.00 2.45 O ATOM 0 H GLY B 21 0.454 21.128 10.768 1.00 1.51 H new ATOM 0 HA2 GLY B 21 -1.046 23.474 10.207 1.00 1.84 H new ATOM 0 HA3 GLY B 21 -1.191 22.377 11.566 1.00 1.84 H new ATOM 1832 N ARG B 22 1.460 24.238 11.833 1.00 2.33 N ATOM 1833 CA ARG B 22 2.119 25.467 12.299 1.00 2.59 C ATOM 1834 C ARG B 22 3.037 26.120 11.242 1.00 3.43 C ATOM 1835 O ARG B 22 3.876 26.952 11.595 1.00 4.53 O ATOM 1836 CB ARG B 22 2.719 25.291 13.708 1.00 2.91 C ATOM 1837 CG ARG B 22 3.684 24.127 13.997 1.00 2.95 C ATOM 1838 CD ARG B 22 5.063 24.135 13.326 1.00 2.49 C ATOM 1839 NE ARG B 22 5.651 25.472 13.211 1.00 2.57 N ATOM 1840 CZ ARG B 22 6.947 25.765 13.230 1.00 3.44 C ATOM 1841 NH1 ARG B 22 7.880 24.893 13.537 1.00 4.39 N ATOM 1842 NH2 ARG B 22 7.314 26.986 12.909 1.00 4.13 N ATOM 0 H ARG B 22 2.109 23.555 11.443 1.00 2.33 H new ATOM 0 HA ARG B 22 1.348 26.227 12.425 1.00 2.59 H new ATOM 0 HB2 ARG B 22 3.243 26.214 13.954 1.00 2.91 H new ATOM 0 HB3 ARG B 22 1.886 25.202 14.405 1.00 2.91 H new ATOM 0 HG2 ARG B 22 3.840 24.086 15.075 1.00 2.95 H new ATOM 0 HG3 ARG B 22 3.182 23.202 13.712 1.00 2.95 H new ATOM 0 HD2 ARG B 22 5.739 23.498 13.896 1.00 2.49 H new ATOM 0 HD3 ARG B 22 4.976 23.698 12.331 1.00 2.49 H new ATOM 0 HE ARG B 22 5.003 26.253 13.106 1.00 2.57 H new ATOM 0 HH11 ARG B 22 7.624 23.935 13.777 1.00 4.39 H new ATOM 0 HH12 ARG B 22 8.861 25.174 13.535 1.00 4.39 H new ATOM 0 HH21 ARG B 22 6.611 27.680 12.654 1.00 4.13 H new ATOM 0 HH22 ARG B 22 8.302 27.240 12.915 1.00 4.13 H new ATOM 1856 N GLU B 23 2.859 25.762 9.968 1.00 3.08 N ATOM 1857 CA GLU B 23 3.265 26.556 8.797 1.00 3.52 C ATOM 1858 C GLU B 23 2.034 26.985 7.967 1.00 3.03 C ATOM 1859 O GLU B 23 1.912 28.159 7.632 1.00 3.62 O ATOM 1860 CB GLU B 23 4.250 25.756 7.925 1.00 3.97 C ATOM 1861 CG GLU B 23 5.576 25.459 8.642 1.00 5.24 C ATOM 1862 CD GLU B 23 6.618 24.869 7.688 1.00 6.28 C ATOM 1863 OE1 GLU B 23 6.298 23.862 7.020 1.00 6.97 O ATOM 1864 OE2 GLU B 23 7.758 25.389 7.618 1.00 6.96 O ATOM 0 H GLU B 23 2.413 24.882 9.710 1.00 3.08 H new ATOM 0 HA GLU B 23 3.764 27.458 9.152 1.00 3.52 H new ATOM 0 HB2 GLU B 23 3.784 24.816 7.628 1.00 3.97 H new ATOM 0 HB3 GLU B 23 4.454 26.313 7.011 1.00 3.97 H new ATOM 0 HG2 GLU B 23 5.965 26.377 9.082 1.00 5.24 H new ATOM 0 HG3 GLU B 23 5.398 24.763 9.462 1.00 5.24 H new ATOM 1871 N GLY B 24 1.095 26.065 7.687 1.00 3.24 N ATOM 1872 CA GLY B 24 -0.223 26.344 7.083 1.00 3.34 C ATOM 1873 C GLY B 24 -0.841 25.167 6.312 1.00 2.93 C ATOM 1874 O GLY B 24 -2.028 24.884 6.456 1.00 3.55 O ATOM 0 H GLY B 24 1.235 25.073 7.881 1.00 3.24 H new ATOM 0 HA2 GLY B 24 -0.912 26.645 7.872 1.00 3.34 H new ATOM 0 HA3 GLY B 24 -0.124 27.192 6.405 1.00 3.34 H new ATOM 1877 N SER B 25 -0.041 24.491 5.490 1.00 2.49 N ATOM 1878 CA SER B 25 -0.429 23.299 4.716 1.00 2.29 C ATOM 1879 C SER B 25 -0.739 22.060 5.583 1.00 2.12 C ATOM 1880 O SER B 25 -0.623 22.091 6.805 1.00 2.72 O ATOM 1881 CB SER B 25 0.665 23.007 3.682 1.00 2.72 C ATOM 1882 OG SER B 25 0.756 24.072 2.749 1.00 2.97 O ATOM 0 H SER B 25 0.930 24.762 5.335 1.00 2.49 H new ATOM 0 HA SER B 25 -1.371 23.522 4.215 1.00 2.29 H new ATOM 0 HB2 SER B 25 1.623 22.871 4.184 1.00 2.72 H new ATOM 0 HB3 SER B 25 0.443 22.076 3.161 1.00 2.72 H new ATOM 0 HG SER B 25 1.640 24.063 2.327 1.00 2.97 H new ATOM 1888 N LYS B 26 -1.153 20.941 4.968 1.00 2.15 N ATOM 1889 CA LYS B 26 -1.540 19.722 5.713 1.00 1.98 C ATOM 1890 C LYS B 26 -1.220 18.371 5.060 1.00 1.88 C ATOM 1891 O LYS B 26 -1.050 17.396 5.786 1.00 2.04 O ATOM 1892 CB LYS B 26 -3.024 19.794 6.113 1.00 1.87 C ATOM 1893 CG LYS B 26 -3.997 20.047 4.948 1.00 2.85 C ATOM 1894 CD LYS B 26 -4.565 21.475 4.967 1.00 2.64 C ATOM 1895 CE LYS B 26 -5.538 21.660 6.137 1.00 1.93 C ATOM 1896 NZ LYS B 26 -6.007 23.060 6.198 1.00 2.32 N ATOM 0 H LYS B 26 -1.230 20.850 3.955 1.00 2.15 H new ATOM 0 HA LYS B 26 -0.892 19.735 6.589 1.00 1.98 H new ATOM 0 HB2 LYS B 26 -3.300 18.859 6.601 1.00 1.87 H new ATOM 0 HB3 LYS B 26 -3.149 20.587 6.850 1.00 1.87 H new ATOM 0 HG2 LYS B 26 -3.482 19.875 4.003 1.00 2.85 H new ATOM 0 HG3 LYS B 26 -4.817 19.331 4.999 1.00 2.85 H new ATOM 0 HD2 LYS B 26 -3.750 22.194 5.049 1.00 2.64 H new ATOM 0 HD3 LYS B 26 -5.077 21.680 4.027 1.00 2.64 H new ATOM 0 HE2 LYS B 26 -6.389 20.989 6.021 1.00 1.93 H new ATOM 0 HE3 LYS B 26 -5.047 21.393 7.073 1.00 1.93 H new ATOM 0 HZ1 LYS B 26 -6.666 23.171 6.995 1.00 2.32 H new ATOM 0 HZ2 LYS B 26 -5.193 23.693 6.331 1.00 2.32 H new ATOM 0 HZ3 LYS B 26 -6.493 23.302 5.311 1.00 2.32 H new ATOM 1910 N LEU B 27 -1.111 18.279 3.726 1.00 1.78 N ATOM 1911 CA LEU B 27 -0.504 17.098 3.053 1.00 1.87 C ATOM 1912 C LEU B 27 0.924 17.363 2.544 1.00 1.70 C ATOM 1913 O LEU B 27 1.625 16.435 2.137 1.00 1.72 O ATOM 1914 CB LEU B 27 -1.389 16.602 1.901 1.00 2.21 C ATOM 1915 CG LEU B 27 -2.781 16.065 2.291 1.00 2.79 C ATOM 1916 CD1 LEU B 27 -3.378 15.353 1.063 1.00 3.18 C ATOM 1917 CD2 LEU B 27 -2.767 15.090 3.476 1.00 3.65 C ATOM 0 H LEU B 27 -1.432 19.003 3.083 1.00 1.78 H new ATOM 0 HA LEU B 27 -0.436 16.321 3.814 1.00 1.87 H new ATOM 0 HB2 LEU B 27 -1.524 17.422 1.196 1.00 2.21 H new ATOM 0 HB3 LEU B 27 -0.853 15.813 1.373 1.00 2.21 H new ATOM 0 HG LEU B 27 -3.379 16.920 2.608 1.00 2.79 H new ATOM 0 HD11 LEU B 27 -4.365 14.963 1.313 1.00 3.18 H new ATOM 0 HD12 LEU B 27 -3.465 16.061 0.239 1.00 3.18 H new ATOM 0 HD13 LEU B 27 -2.727 14.530 0.767 1.00 3.18 H new ATOM 0 HD21 LEU B 27 -3.784 14.759 3.687 1.00 3.65 H new ATOM 0 HD22 LEU B 27 -2.148 14.227 3.230 1.00 3.65 H new ATOM 0 HD23 LEU B 27 -2.359 15.591 4.354 1.00 3.65 H new ATOM 1929 N THR B 28 1.323 18.626 2.627 1.00 1.56 N ATOM 1930 CA THR B 28 2.633 19.204 2.358 1.00 1.27 C ATOM 1931 C THR B 28 3.021 20.035 3.581 1.00 1.13 C ATOM 1932 O THR B 28 2.163 20.331 4.420 1.00 1.37 O ATOM 1933 CB THR B 28 2.548 20.103 1.118 1.00 1.21 C ATOM 1934 OG1 THR B 28 1.454 20.975 1.266 1.00 1.57 O ATOM 1935 CG2 THR B 28 2.326 19.349 -0.191 1.00 1.31 C ATOM 0 H THR B 28 0.664 19.349 2.916 1.00 1.56 H new ATOM 0 HA THR B 28 3.375 18.428 2.171 1.00 1.27 H new ATOM 0 HB THR B 28 3.509 20.613 1.056 1.00 1.21 H new ATOM 0 HG1 THR B 28 1.765 21.903 1.206 1.00 1.57 H new ATOM 0 HG21 THR B 28 2.278 20.059 -1.016 1.00 1.31 H new ATOM 0 HG22 THR B 28 3.151 18.656 -0.356 1.00 1.31 H new ATOM 0 HG23 THR B 28 1.390 18.793 -0.136 1.00 1.31 H new ATOM 1943 N LEU B 29 4.295 20.422 3.654 1.00 0.84 N ATOM 1944 CA LEU B 29 4.895 21.458 4.529 1.00 0.75 C ATOM 1945 C LEU B 29 6.320 21.794 4.032 1.00 0.72 C ATOM 1946 O LEU B 29 6.753 21.212 3.037 1.00 0.75 O ATOM 1947 CB LEU B 29 4.786 21.098 6.034 1.00 0.79 C ATOM 1948 CG LEU B 29 5.946 20.295 6.648 1.00 0.93 C ATOM 1949 CD1 LEU B 29 5.696 20.084 8.148 1.00 1.36 C ATOM 1950 CD2 LEU B 29 6.092 18.930 5.986 1.00 1.03 C ATOM 0 H LEU B 29 5.001 19.990 3.058 1.00 0.84 H new ATOM 0 HA LEU B 29 4.318 22.380 4.453 1.00 0.75 H new ATOM 0 HB2 LEU B 29 4.681 22.025 6.597 1.00 0.79 H new ATOM 0 HB3 LEU B 29 3.867 20.531 6.180 1.00 0.79 H new ATOM 0 HG LEU B 29 6.861 20.865 6.488 1.00 0.93 H new ATOM 0 HD11 LEU B 29 6.520 19.515 8.578 1.00 1.36 H new ATOM 0 HD12 LEU B 29 5.625 21.052 8.645 1.00 1.36 H new ATOM 0 HD13 LEU B 29 4.765 19.535 8.288 1.00 1.36 H new ATOM 0 HD21 LEU B 29 6.921 18.390 6.444 1.00 1.03 H new ATOM 0 HD22 LEU B 29 5.171 18.361 6.118 1.00 1.03 H new ATOM 0 HD23 LEU B 29 6.289 19.061 4.922 1.00 1.03 H new ATOM 1962 N SER B 30 7.061 22.719 4.641 1.00 0.73 N ATOM 1963 CA SER B 30 8.350 23.152 4.092 1.00 0.80 C ATOM 1964 C SER B 30 9.478 22.124 4.233 1.00 0.80 C ATOM 1965 O SER B 30 9.581 21.360 5.205 1.00 0.75 O ATOM 1966 CB SER B 30 8.836 24.505 4.638 1.00 0.92 C ATOM 1967 OG SER B 30 9.367 24.378 5.946 1.00 1.38 O ATOM 0 H SER B 30 6.795 23.182 5.510 1.00 0.73 H new ATOM 0 HA SER B 30 8.127 23.263 3.031 1.00 0.80 H new ATOM 0 HB2 SER B 30 9.597 24.914 3.974 1.00 0.92 H new ATOM 0 HB3 SER B 30 8.007 25.213 4.648 1.00 0.92 H new ATOM 0 HG SER B 30 8.955 25.046 6.533 1.00 1.38 H new ATOM 1973 N ARG B 31 10.453 22.237 3.327 1.00 0.93 N ATOM 1974 CA ARG B 31 11.755 21.593 3.496 1.00 0.97 C ATOM 1975 C ARG B 31 12.544 22.127 4.711 1.00 1.26 C ATOM 1976 O ARG B 31 13.604 21.584 5.023 1.00 1.77 O ATOM 1977 CB ARG B 31 12.602 21.570 2.203 1.00 1.17 C ATOM 1978 CG ARG B 31 12.086 22.183 0.882 1.00 2.02 C ATOM 1979 CD ARG B 31 12.038 21.206 -0.288 1.00 1.93 C ATOM 1980 NE ARG B 31 13.310 20.508 -0.564 1.00 2.11 N ATOM 1981 CZ ARG B 31 13.412 19.359 -1.239 1.00 2.27 C ATOM 1982 NH1 ARG B 31 12.360 18.749 -1.739 1.00 2.43 N ATOM 1983 NH2 ARG B 31 14.587 18.792 -1.431 1.00 3.07 N ATOM 0 H ARG B 31 10.362 22.773 2.464 1.00 0.93 H new ATOM 0 HA ARG B 31 11.527 20.551 3.719 1.00 0.97 H new ATOM 0 HB2 ARG B 31 13.544 22.066 2.434 1.00 1.17 H new ATOM 0 HB3 ARG B 31 12.834 20.525 1.997 1.00 1.17 H new ATOM 0 HG2 ARG B 31 11.086 22.583 1.047 1.00 2.02 H new ATOM 0 HG3 ARG B 31 12.725 23.024 0.612 1.00 2.02 H new ATOM 0 HD2 ARG B 31 11.267 20.462 -0.090 1.00 1.93 H new ATOM 0 HD3 ARG B 31 11.735 21.748 -1.184 1.00 1.93 H new ATOM 0 HE ARG B 31 14.170 20.932 -0.215 1.00 2.11 H new ATOM 0 HH11 ARG B 31 11.431 19.152 -1.617 1.00 2.43 H new ATOM 0 HH12 ARG B 31 12.473 17.873 -2.249 1.00 2.43 H new ATOM 0 HH21 ARG B 31 15.431 19.230 -1.063 1.00 3.07 H new ATOM 0 HH22 ARG B 31 14.652 17.915 -1.948 1.00 3.07 H new ATOM 1997 N LYS B 32 12.049 23.143 5.430 1.00 1.25 N ATOM 1998 CA LYS B 32 12.560 23.578 6.738 1.00 1.43 C ATOM 1999 C LYS B 32 11.908 22.871 7.944 1.00 1.23 C ATOM 2000 O LYS B 32 12.645 22.527 8.864 1.00 1.50 O ATOM 2001 CB LYS B 32 12.460 25.111 6.817 1.00 1.75 C ATOM 2002 CG LYS B 32 13.821 25.766 6.534 1.00 2.30 C ATOM 2003 CD LYS B 32 13.636 27.177 5.966 1.00 3.66 C ATOM 2004 CE LYS B 32 14.973 27.935 5.954 1.00 4.12 C ATOM 2005 NZ LYS B 32 14.922 29.127 5.076 1.00 5.70 N ATOM 0 H LYS B 32 11.259 23.702 5.109 1.00 1.25 H new ATOM 0 HA LYS B 32 13.605 23.275 6.809 1.00 1.43 H new ATOM 0 HB2 LYS B 32 11.723 25.469 6.098 1.00 1.75 H new ATOM 0 HB3 LYS B 32 12.109 25.406 7.806 1.00 1.75 H new ATOM 0 HG2 LYS B 32 14.406 25.812 7.453 1.00 2.30 H new ATOM 0 HG3 LYS B 32 14.384 25.155 5.828 1.00 2.30 H new ATOM 0 HD2 LYS B 32 13.236 27.118 4.954 1.00 3.66 H new ATOM 0 HD3 LYS B 32 12.907 27.723 6.565 1.00 3.66 H new ATOM 0 HE2 LYS B 32 15.226 28.242 6.969 1.00 4.12 H new ATOM 0 HE3 LYS B 32 15.766 27.268 5.616 1.00 4.12 H new ATOM 0 HZ1 LYS B 32 15.487 29.892 5.497 1.00 5.70 H new ATOM 0 HZ2 LYS B 32 15.308 28.886 4.141 1.00 5.70 H new ATOM 0 HZ3 LYS B 32 13.936 29.441 4.973 1.00 5.70 H new ATOM 2019 N GLU B 33 10.598 22.606 7.943 1.00 0.89 N ATOM 2020 CA GLU B 33 9.916 21.953 9.070 1.00 0.77 C ATOM 2021 C GLU B 33 9.891 20.413 8.988 1.00 0.74 C ATOM 2022 O GLU B 33 9.961 19.762 10.028 1.00 0.78 O ATOM 2023 CB GLU B 33 8.502 22.532 9.217 1.00 0.88 C ATOM 2024 CG GLU B 33 7.698 22.010 10.421 1.00 1.22 C ATOM 2025 CD GLU B 33 8.202 22.445 11.804 1.00 2.13 C ATOM 2026 OE1 GLU B 33 9.320 22.981 11.941 1.00 2.64 O ATOM 2027 OE2 GLU B 33 7.423 22.307 12.776 1.00 3.39 O ATOM 0 H GLU B 33 9.980 22.836 7.165 1.00 0.89 H new ATOM 0 HA GLU B 33 10.501 22.172 9.964 1.00 0.77 H new ATOM 0 HB2 GLU B 33 8.578 23.617 9.295 1.00 0.88 H new ATOM 0 HB3 GLU B 33 7.943 22.316 8.307 1.00 0.88 H new ATOM 0 HG2 GLU B 33 6.664 22.338 10.313 1.00 1.22 H new ATOM 0 HG3 GLU B 33 7.692 20.921 10.384 1.00 1.22 H new ATOM 2034 N LEU B 34 9.877 19.780 7.804 1.00 0.70 N ATOM 2035 CA LEU B 34 9.868 18.308 7.721 1.00 0.70 C ATOM 2036 C LEU B 34 11.121 17.699 8.363 1.00 0.65 C ATOM 2037 O LEU B 34 11.060 16.707 9.091 1.00 0.64 O ATOM 2038 CB LEU B 34 9.765 17.867 6.249 1.00 0.78 C ATOM 2039 CG LEU B 34 9.500 16.351 6.106 1.00 1.13 C ATOM 2040 CD1 LEU B 34 8.052 15.981 6.451 1.00 1.76 C ATOM 2041 CD2 LEU B 34 9.754 15.912 4.664 1.00 1.23 C ATOM 0 H LEU B 34 9.872 20.255 6.902 1.00 0.70 H new ATOM 0 HA LEU B 34 9.000 17.946 8.273 1.00 0.70 H new ATOM 0 HB2 LEU B 34 8.963 18.421 5.762 1.00 0.78 H new ATOM 0 HB3 LEU B 34 10.689 18.122 5.730 1.00 0.78 H new ATOM 0 HG LEU B 34 10.173 15.849 6.801 1.00 1.13 H new ATOM 0 HD11 LEU B 34 7.914 14.906 6.336 1.00 1.76 H new ATOM 0 HD12 LEU B 34 7.839 16.266 7.481 1.00 1.76 H new ATOM 0 HD13 LEU B 34 7.372 16.508 5.781 1.00 1.76 H new ATOM 0 HD21 LEU B 34 9.565 14.843 4.571 1.00 1.23 H new ATOM 0 HD22 LEU B 34 9.089 16.458 3.995 1.00 1.23 H new ATOM 0 HD23 LEU B 34 10.790 16.122 4.397 1.00 1.23 H new ATOM 2053 N LYS B 35 12.275 18.320 8.122 1.00 0.72 N ATOM 2054 CA LYS B 35 13.509 17.971 8.811 1.00 0.78 C ATOM 2055 C LYS B 35 13.438 18.191 10.334 1.00 0.85 C ATOM 2056 O LYS B 35 14.030 17.404 11.072 1.00 0.90 O ATOM 2057 CB LYS B 35 14.662 18.724 8.135 1.00 0.96 C ATOM 2058 CG LYS B 35 14.511 20.248 8.102 1.00 2.44 C ATOM 2059 CD LYS B 35 15.669 20.891 7.334 1.00 2.87 C ATOM 2060 CE LYS B 35 16.926 21.030 8.197 1.00 2.63 C ATOM 2061 NZ LYS B 35 17.081 22.413 8.702 1.00 3.69 N ATOM 0 H LYS B 35 12.377 19.076 7.445 1.00 0.72 H new ATOM 0 HA LYS B 35 13.683 16.899 8.719 1.00 0.78 H new ATOM 0 HB2 LYS B 35 15.589 18.477 8.652 1.00 0.96 H new ATOM 0 HB3 LYS B 35 14.762 18.362 7.112 1.00 0.96 H new ATOM 0 HG2 LYS B 35 13.564 20.514 7.632 1.00 2.44 H new ATOM 0 HG3 LYS B 35 14.482 20.638 9.120 1.00 2.44 H new ATOM 0 HD2 LYS B 35 15.898 20.289 6.454 1.00 2.87 H new ATOM 0 HD3 LYS B 35 15.365 21.875 6.977 1.00 2.87 H new ATOM 0 HE2 LYS B 35 16.871 20.338 9.037 1.00 2.63 H new ATOM 0 HE3 LYS B 35 17.804 20.753 7.613 1.00 2.63 H new ATOM 0 HZ1 LYS B 35 17.827 22.436 9.427 1.00 3.69 H new ATOM 0 HZ2 LYS B 35 17.342 23.042 7.916 1.00 3.69 H new ATOM 0 HZ3 LYS B 35 16.183 22.733 9.118 1.00 3.69 H new ATOM 2075 N GLU B 36 12.701 19.206 10.796 1.00 0.90 N ATOM 2076 CA GLU B 36 12.488 19.433 12.221 1.00 1.04 C ATOM 2077 C GLU B 36 11.570 18.359 12.840 1.00 0.99 C ATOM 2078 O GLU B 36 11.926 17.804 13.873 1.00 1.15 O ATOM 2079 CB GLU B 36 11.951 20.861 12.419 1.00 1.18 C ATOM 2080 CG GLU B 36 11.966 21.330 13.874 1.00 1.49 C ATOM 2081 CD GLU B 36 13.353 21.727 14.385 1.00 2.22 C ATOM 2082 OE1 GLU B 36 14.342 21.006 14.114 1.00 3.15 O ATOM 2083 OE2 GLU B 36 13.427 22.596 15.281 1.00 3.05 O ATOM 0 H GLU B 36 12.240 19.887 10.193 1.00 0.90 H new ATOM 0 HA GLU B 36 13.436 19.342 12.752 1.00 1.04 H new ATOM 0 HB2 GLU B 36 12.546 21.549 11.819 1.00 1.18 H new ATOM 0 HB3 GLU B 36 10.930 20.911 12.042 1.00 1.18 H new ATOM 0 HG2 GLU B 36 11.294 22.182 13.977 1.00 1.49 H new ATOM 0 HG3 GLU B 36 11.571 20.534 14.506 1.00 1.49 H new ATOM 2090 N LEU B 37 10.453 17.995 12.183 1.00 0.84 N ATOM 2091 CA LEU B 37 9.536 16.916 12.587 1.00 0.90 C ATOM 2092 C LEU B 37 10.302 15.636 12.903 1.00 0.99 C ATOM 2093 O LEU B 37 10.168 15.074 13.994 1.00 1.12 O ATOM 2094 CB LEU B 37 8.469 16.704 11.475 1.00 0.80 C ATOM 2095 CG LEU B 37 7.837 15.294 11.347 1.00 0.92 C ATOM 2096 CD1 LEU B 37 7.029 14.822 12.553 1.00 1.48 C ATOM 2097 CD2 LEU B 37 6.927 15.244 10.113 1.00 1.12 C ATOM 0 H LEU B 37 10.155 18.461 11.326 1.00 0.84 H new ATOM 0 HA LEU B 37 9.021 17.201 13.504 1.00 0.90 H new ATOM 0 HB2 LEU B 37 7.664 17.419 11.641 1.00 0.80 H new ATOM 0 HB3 LEU B 37 8.926 16.955 10.518 1.00 0.80 H new ATOM 0 HG LEU B 37 8.688 14.618 11.266 1.00 0.92 H new ATOM 0 HD11 LEU B 37 6.632 13.826 12.358 1.00 1.48 H new ATOM 0 HD12 LEU B 37 7.672 14.791 13.432 1.00 1.48 H new ATOM 0 HD13 LEU B 37 6.204 15.512 12.731 1.00 1.48 H new ATOM 0 HD21 LEU B 37 6.485 14.251 10.027 1.00 1.12 H new ATOM 0 HD22 LEU B 37 6.135 15.986 10.214 1.00 1.12 H new ATOM 0 HD23 LEU B 37 7.513 15.459 9.220 1.00 1.12 H new ATOM 2109 N ILE B 38 11.129 15.211 11.948 1.00 0.92 N ATOM 2110 CA ILE B 38 11.943 13.993 12.041 1.00 1.06 C ATOM 2111 C ILE B 38 12.877 14.065 13.249 1.00 1.26 C ATOM 2112 O ILE B 38 12.772 13.212 14.119 1.00 1.51 O ATOM 2113 CB ILE B 38 12.673 13.737 10.699 1.00 1.04 C ATOM 2114 CG1 ILE B 38 11.637 13.447 9.584 1.00 1.05 C ATOM 2115 CG2 ILE B 38 13.673 12.571 10.817 1.00 1.49 C ATOM 2116 CD1 ILE B 38 12.245 13.434 8.181 1.00 1.20 C ATOM 0 H ILE B 38 11.256 15.712 11.069 1.00 0.92 H new ATOM 0 HA ILE B 38 11.302 13.128 12.211 1.00 1.06 H new ATOM 0 HB ILE B 38 13.238 14.633 10.442 1.00 1.04 H new ATOM 0 HG12 ILE B 38 11.166 12.483 9.777 1.00 1.05 H new ATOM 0 HG13 ILE B 38 10.850 14.200 9.624 1.00 1.05 H new ATOM 0 HG21 ILE B 38 14.168 12.418 9.858 1.00 1.49 H new ATOM 0 HG22 ILE B 38 14.418 12.806 11.577 1.00 1.49 H new ATOM 0 HG23 ILE B 38 13.141 11.663 11.100 1.00 1.49 H new ATOM 0 HD11 ILE B 38 11.465 13.225 7.448 1.00 1.20 H new ATOM 0 HD12 ILE B 38 12.691 14.406 7.969 1.00 1.20 H new ATOM 0 HD13 ILE B 38 13.012 12.662 8.124 1.00 1.20 H new ATOM 2128 N LYS B 39 13.752 15.067 13.386 1.00 1.41 N ATOM 2129 CA LYS B 39 14.659 15.136 14.546 1.00 1.65 C ATOM 2130 C LYS B 39 13.969 15.375 15.905 1.00 1.77 C ATOM 2131 O LYS B 39 14.632 15.286 16.937 1.00 2.00 O ATOM 2132 CB LYS B 39 15.771 16.170 14.265 1.00 1.76 C ATOM 2133 CG LYS B 39 17.101 15.521 13.853 1.00 1.84 C ATOM 2134 CD LYS B 39 17.821 14.795 15.007 1.00 2.04 C ATOM 2135 CE LYS B 39 19.140 14.218 14.481 1.00 2.77 C ATOM 2136 NZ LYS B 39 19.958 13.567 15.529 1.00 3.26 N ATOM 0 H LYS B 39 13.854 15.833 12.721 1.00 1.41 H new ATOM 0 HA LYS B 39 15.096 14.144 14.658 1.00 1.65 H new ATOM 0 HB2 LYS B 39 15.442 16.845 13.475 1.00 1.76 H new ATOM 0 HB3 LYS B 39 15.929 16.777 15.156 1.00 1.76 H new ATOM 0 HG2 LYS B 39 16.914 14.810 13.049 1.00 1.84 H new ATOM 0 HG3 LYS B 39 17.761 16.290 13.451 1.00 1.84 H new ATOM 0 HD2 LYS B 39 18.012 15.487 15.827 1.00 2.04 H new ATOM 0 HD3 LYS B 39 17.191 13.998 15.403 1.00 2.04 H new ATOM 0 HE2 LYS B 39 18.923 13.492 13.697 1.00 2.77 H new ATOM 0 HE3 LYS B 39 19.721 15.018 14.023 1.00 2.77 H new ATOM 0 HZ1 LYS B 39 20.962 13.610 15.262 1.00 3.26 H new ATOM 0 HZ2 LYS B 39 19.819 14.060 16.434 1.00 3.26 H new ATOM 0 HZ3 LYS B 39 19.669 12.573 15.628 1.00 3.26 H new ATOM 2150 N LYS B 40 12.670 15.700 15.942 1.00 1.68 N ATOM 2151 CA LYS B 40 11.895 15.867 17.178 1.00 1.92 C ATOM 2152 C LYS B 40 11.125 14.612 17.616 1.00 2.07 C ATOM 2153 O LYS B 40 11.061 14.372 18.820 1.00 2.44 O ATOM 2154 CB LYS B 40 10.953 17.071 17.011 1.00 1.87 C ATOM 2155 CG LYS B 40 11.556 18.394 17.481 1.00 1.96 C ATOM 2156 CD LYS B 40 12.947 18.742 16.930 1.00 2.60 C ATOM 2157 CE LYS B 40 13.268 20.172 17.345 1.00 2.73 C ATOM 2158 NZ LYS B 40 14.563 20.634 16.797 1.00 3.43 N ATOM 0 H LYS B 40 12.119 15.857 15.098 1.00 1.68 H new ATOM 0 HA LYS B 40 12.606 16.046 17.985 1.00 1.92 H new ATOM 0 HB2 LYS B 40 10.676 17.161 15.961 1.00 1.87 H new ATOM 0 HB3 LYS B 40 10.035 16.882 17.568 1.00 1.87 H new ATOM 0 HG2 LYS B 40 10.870 19.197 17.211 1.00 1.96 H new ATOM 0 HG3 LYS B 40 11.614 18.376 18.569 1.00 1.96 H new ATOM 0 HD2 LYS B 40 13.696 18.053 17.321 1.00 2.60 H new ATOM 0 HD3 LYS B 40 12.963 18.647 15.844 1.00 2.60 H new ATOM 0 HE2 LYS B 40 12.473 20.835 17.003 1.00 2.73 H new ATOM 0 HE3 LYS B 40 13.292 20.237 18.433 1.00 2.73 H new ATOM 0 HZ1 LYS B 40 14.547 21.669 16.694 1.00 3.43 H new ATOM 0 HZ2 LYS B 40 15.331 20.362 17.444 1.00 3.43 H new ATOM 0 HZ3 LYS B 40 14.723 20.196 15.867 1.00 3.43 H new ATOM 2172 N GLU B 41 10.544 13.831 16.700 1.00 1.87 N ATOM 2173 CA GLU B 41 9.862 12.569 17.056 1.00 2.19 C ATOM 2174 C GLU B 41 10.696 11.315 16.753 1.00 2.07 C ATOM 2175 O GLU B 41 10.787 10.429 17.607 1.00 2.81 O ATOM 2176 CB GLU B 41 8.435 12.524 16.480 1.00 2.36 C ATOM 2177 CG GLU B 41 8.279 12.219 14.982 1.00 2.15 C ATOM 2178 CD GLU B 41 8.376 10.735 14.630 1.00 3.68 C ATOM 2179 OE1 GLU B 41 7.942 9.881 15.441 1.00 4.69 O ATOM 2180 OE2 GLU B 41 8.836 10.455 13.507 1.00 4.56 O ATOM 0 H GLU B 41 10.529 14.046 15.703 1.00 1.87 H new ATOM 0 HA GLU B 41 9.759 12.558 18.141 1.00 2.19 H new ATOM 0 HB2 GLU B 41 7.873 11.773 17.035 1.00 2.36 H new ATOM 0 HB3 GLU B 41 7.963 13.487 16.677 1.00 2.36 H new ATOM 0 HG2 GLU B 41 7.315 12.598 14.644 1.00 2.15 H new ATOM 0 HG3 GLU B 41 9.046 12.762 14.430 1.00 2.15 H new ATOM 2187 N LEU B 42 11.389 11.266 15.607 1.00 1.50 N ATOM 2188 CA LEU B 42 12.263 10.158 15.236 1.00 1.66 C ATOM 2189 C LEU B 42 13.574 10.266 16.022 1.00 1.60 C ATOM 2190 O LEU B 42 14.527 10.936 15.630 1.00 1.98 O ATOM 2191 CB LEU B 42 12.422 10.072 13.703 1.00 1.95 C ATOM 2192 CG LEU B 42 11.741 8.820 13.114 1.00 2.15 C ATOM 2193 CD1 LEU B 42 11.590 8.966 11.589 1.00 3.10 C ATOM 2194 CD2 LEU B 42 12.532 7.541 13.426 1.00 2.42 C ATOM 0 H LEU B 42 11.354 12.007 14.907 1.00 1.50 H new ATOM 0 HA LEU B 42 11.819 9.202 15.515 1.00 1.66 H new ATOM 0 HB2 LEU B 42 11.996 10.964 13.245 1.00 1.95 H new ATOM 0 HB3 LEU B 42 13.482 10.059 13.450 1.00 1.95 H new ATOM 0 HG LEU B 42 10.758 8.735 13.578 1.00 2.15 H new ATOM 0 HD11 LEU B 42 11.108 8.076 11.184 1.00 3.10 H new ATOM 0 HD12 LEU B 42 10.981 9.842 11.366 1.00 3.10 H new ATOM 0 HD13 LEU B 42 12.574 9.084 11.136 1.00 3.10 H new ATOM 0 HD21 LEU B 42 12.019 6.682 12.994 1.00 2.42 H new ATOM 0 HD22 LEU B 42 13.532 7.619 13.000 1.00 2.42 H new ATOM 0 HD23 LEU B 42 12.607 7.414 14.506 1.00 2.42 H new ATOM 2206 N CYS B 43 13.577 9.596 17.171 1.00 1.40 N ATOM 2207 CA CYS B 43 14.469 9.790 18.324 1.00 1.39 C ATOM 2208 C CYS B 43 15.966 9.438 18.121 1.00 1.98 C ATOM 2209 O CYS B 43 16.665 9.146 19.089 1.00 3.15 O ATOM 2210 CB CYS B 43 13.813 8.990 19.466 1.00 1.44 C ATOM 2211 SG CYS B 43 14.486 9.422 21.097 1.00 2.60 S ATOM 0 H CYS B 43 12.907 8.845 17.339 1.00 1.40 H new ATOM 0 HA CYS B 43 14.551 10.856 18.535 1.00 1.39 H new ATOM 0 HB2 CYS B 43 12.738 9.171 19.461 1.00 1.44 H new ATOM 0 HB3 CYS B 43 13.958 7.924 19.288 1.00 1.44 H new ATOM 0 HG CYS B 43 15.781 9.513 21.022 1.00 2.60 H new ATOM 2217 N LEU B 44 16.465 9.419 16.889 1.00 2.02 N ATOM 2218 CA LEU B 44 17.832 9.012 16.576 1.00 2.58 C ATOM 2219 C LEU B 44 18.852 10.049 17.052 1.00 3.12 C ATOM 2220 O LEU B 44 19.051 11.079 16.405 1.00 4.27 O ATOM 2221 CB LEU B 44 17.986 8.756 15.068 1.00 3.05 C ATOM 2222 CG LEU B 44 17.499 7.378 14.589 1.00 2.86 C ATOM 2223 CD1 LEU B 44 15.977 7.216 14.696 1.00 3.02 C ATOM 2224 CD2 LEU B 44 17.949 7.199 13.135 1.00 3.75 C ATOM 0 H LEU B 44 15.924 9.690 16.068 1.00 2.02 H new ATOM 0 HA LEU B 44 18.031 8.084 17.111 1.00 2.58 H new ATOM 0 HB2 LEU B 44 17.438 9.527 14.526 1.00 3.05 H new ATOM 0 HB3 LEU B 44 19.037 8.866 14.802 1.00 3.05 H new ATOM 0 HG LEU B 44 17.932 6.613 15.233 1.00 2.86 H new ATOM 0 HD11 LEU B 44 15.691 6.225 14.344 1.00 3.02 H new ATOM 0 HD12 LEU B 44 15.671 7.335 15.735 1.00 3.02 H new ATOM 0 HD13 LEU B 44 15.487 7.973 14.085 1.00 3.02 H new ATOM 0 HD21 LEU B 44 17.617 6.228 12.768 1.00 3.75 H new ATOM 0 HD22 LEU B 44 17.515 7.987 12.520 1.00 3.75 H new ATOM 0 HD23 LEU B 44 19.036 7.254 13.081 1.00 3.75 H new ATOM 2236 N GLY B 45 19.544 9.712 18.134 1.00 2.85 N ATOM 2237 CA GLY B 45 20.905 10.153 18.432 1.00 3.30 C ATOM 2238 C GLY B 45 21.823 8.935 18.428 1.00 2.73 C ATOM 2239 O GLY B 45 21.976 8.263 17.403 1.00 3.13 O ATOM 0 H GLY B 45 19.160 9.102 18.856 1.00 2.85 H new ATOM 0 HA2 GLY B 45 21.238 10.880 17.691 1.00 3.30 H new ATOM 0 HA3 GLY B 45 20.938 10.649 19.402 1.00 3.30 H new ATOM 2242 N GLU B 46 22.356 8.631 19.605 1.00 3.07 N ATOM 2243 CA GLU B 46 23.062 7.407 20.014 1.00 3.07 C ATOM 2244 C GLU B 46 22.521 6.080 19.457 1.00 2.75 C ATOM 2245 O GLU B 46 23.325 5.184 19.212 1.00 3.35 O ATOM 2246 CB GLU B 46 23.103 7.362 21.556 1.00 3.87 C ATOM 2247 CG GLU B 46 21.751 7.098 22.237 1.00 4.16 C ATOM 2248 CD GLU B 46 20.668 8.065 21.765 1.00 4.33 C ATOM 2249 OE1 GLU B 46 20.902 9.287 21.903 1.00 5.34 O ATOM 2250 OE2 GLU B 46 19.741 7.608 21.055 1.00 4.10 O ATOM 0 H GLU B 46 22.304 9.295 20.377 1.00 3.07 H new ATOM 0 HA GLU B 46 24.055 7.481 19.571 1.00 3.07 H new ATOM 0 HB2 GLU B 46 23.804 6.586 21.863 1.00 3.87 H new ATOM 0 HB3 GLU B 46 23.497 8.310 21.921 1.00 3.87 H new ATOM 0 HG2 GLU B 46 21.436 6.075 22.032 1.00 4.16 H new ATOM 0 HG3 GLU B 46 21.867 7.185 23.317 1.00 4.16 H new ATOM 2257 N MET B 47 21.206 5.937 19.209 1.00 2.61 N ATOM 2258 CA MET B 47 20.614 4.761 18.543 1.00 2.90 C ATOM 2259 C MET B 47 21.421 4.324 17.308 1.00 2.68 C ATOM 2260 O MET B 47 21.622 3.135 17.065 1.00 3.25 O ATOM 2261 CB MET B 47 19.187 5.081 18.057 1.00 3.26 C ATOM 2262 CG MET B 47 18.121 5.201 19.151 1.00 4.04 C ATOM 2263 SD MET B 47 16.449 5.613 18.557 1.00 4.49 S ATOM 2264 CE MET B 47 16.190 4.365 17.263 1.00 3.07 C ATOM 0 H MET B 47 20.517 6.643 19.468 1.00 2.61 H new ATOM 0 HA MET B 47 20.614 3.961 19.283 1.00 2.90 H new ATOM 0 HB2 MET B 47 19.215 6.017 17.499 1.00 3.26 H new ATOM 0 HB3 MET B 47 18.878 4.303 17.359 1.00 3.26 H new ATOM 0 HG2 MET B 47 18.074 4.258 19.696 1.00 4.04 H new ATOM 0 HG3 MET B 47 18.436 5.965 19.862 1.00 4.04 H new ATOM 0 HE1 MET B 47 15.126 4.145 17.178 1.00 3.07 H new ATOM 0 HE2 MET B 47 16.559 4.746 16.311 1.00 3.07 H new ATOM 0 HE3 MET B 47 16.729 3.454 17.523 1.00 3.07 H new ATOM 2274 N LYS B 48 21.792 5.302 16.476 1.00 2.56 N ATOM 2275 CA LYS B 48 22.345 5.125 15.144 1.00 2.49 C ATOM 2276 C LYS B 48 23.331 6.210 14.692 1.00 2.77 C ATOM 2277 O LYS B 48 24.360 5.877 14.109 1.00 3.87 O ATOM 2278 CB LYS B 48 21.120 5.117 14.210 1.00 2.61 C ATOM 2279 CG LYS B 48 20.376 3.791 14.203 1.00 2.89 C ATOM 2280 CD LYS B 48 21.258 2.607 13.783 1.00 2.83 C ATOM 2281 CE LYS B 48 22.065 2.928 12.507 1.00 3.60 C ATOM 2282 NZ LYS B 48 22.705 1.733 11.906 1.00 4.73 N ATOM 0 H LYS B 48 21.708 6.285 16.733 1.00 2.56 H new ATOM 0 HA LYS B 48 22.937 4.210 15.126 1.00 2.49 H new ATOM 0 HB2 LYS B 48 20.435 5.908 14.514 1.00 2.61 H new ATOM 0 HB3 LYS B 48 21.444 5.349 13.195 1.00 2.61 H new ATOM 0 HG2 LYS B 48 19.974 3.602 15.198 1.00 2.89 H new ATOM 0 HG3 LYS B 48 19.526 3.862 13.524 1.00 2.89 H new ATOM 0 HD2 LYS B 48 21.942 2.356 14.594 1.00 2.83 H new ATOM 0 HD3 LYS B 48 20.634 1.730 13.609 1.00 2.83 H new ATOM 0 HE2 LYS B 48 21.403 3.387 11.772 1.00 3.60 H new ATOM 0 HE3 LYS B 48 22.834 3.663 12.746 1.00 3.60 H new ATOM 0 HZ1 LYS B 48 23.670 1.972 11.601 1.00 4.73 H new ATOM 0 HZ2 LYS B 48 22.744 0.969 12.610 1.00 4.73 H new ATOM 0 HZ3 LYS B 48 22.151 1.419 11.084 1.00 4.73 H new ATOM 2296 N GLU B 49 22.968 7.479 14.883 1.00 3.16 N ATOM 2297 CA GLU B 49 22.272 8.208 13.816 1.00 3.35 C ATOM 2298 C GLU B 49 22.909 8.101 12.414 1.00 2.84 C ATOM 2299 O GLU B 49 22.972 7.003 11.869 1.00 3.04 O ATOM 2300 CB GLU B 49 21.891 9.621 14.271 1.00 4.81 C ATOM 2301 CG GLU B 49 23.040 10.546 14.694 1.00 5.07 C ATOM 2302 CD GLU B 49 22.479 11.953 14.851 1.00 6.52 C ATOM 2303 OE1 GLU B 49 21.915 12.473 13.864 1.00 6.95 O ATOM 2304 OE2 GLU B 49 22.453 12.489 15.972 1.00 7.68 O ATOM 0 H GLU B 49 23.136 8.012 15.736 1.00 3.16 H new ATOM 0 HA GLU B 49 21.332 7.684 13.646 1.00 3.35 H new ATOM 0 HB2 GLU B 49 21.348 10.104 13.459 1.00 4.81 H new ATOM 0 HB3 GLU B 49 21.200 9.533 15.109 1.00 4.81 H new ATOM 0 HG2 GLU B 49 23.479 10.204 15.631 1.00 5.07 H new ATOM 0 HG3 GLU B 49 23.834 10.534 13.947 1.00 5.07 H new ATOM 2311 N SER B 50 23.301 9.216 11.792 1.00 3.05 N ATOM 2312 CA SER B 50 23.901 9.278 10.446 1.00 2.83 C ATOM 2313 C SER B 50 22.875 9.044 9.319 1.00 2.95 C ATOM 2314 O SER B 50 21.754 8.591 9.542 1.00 4.00 O ATOM 2315 CB SER B 50 25.104 8.331 10.312 1.00 3.01 C ATOM 2316 OG SER B 50 25.886 8.689 9.182 1.00 3.05 O ATOM 0 H SER B 50 23.208 10.136 12.223 1.00 3.05 H new ATOM 0 HA SER B 50 24.266 10.298 10.327 1.00 2.83 H new ATOM 0 HB2 SER B 50 25.714 8.376 11.214 1.00 3.01 H new ATOM 0 HB3 SER B 50 24.757 7.302 10.212 1.00 3.01 H new ATOM 0 HG SER B 50 26.650 8.080 9.107 1.00 3.05 H new ATOM 2322 N SER B 51 23.236 9.423 8.090 1.00 2.49 N ATOM 2323 CA SER B 51 22.393 9.513 6.874 1.00 2.70 C ATOM 2324 C SER B 51 21.236 10.516 6.984 1.00 2.83 C ATOM 2325 O SER B 51 20.956 11.198 6.004 1.00 3.25 O ATOM 2326 CB SER B 51 21.899 8.125 6.402 1.00 3.11 C ATOM 2327 OG SER B 51 20.990 7.492 7.286 1.00 4.54 O ATOM 0 H SER B 51 24.198 9.698 7.894 1.00 2.49 H new ATOM 0 HA SER B 51 23.054 9.912 6.105 1.00 2.70 H new ATOM 0 HB2 SER B 51 21.422 8.235 5.428 1.00 3.11 H new ATOM 0 HB3 SER B 51 22.762 7.475 6.262 1.00 3.11 H new ATOM 0 HG SER B 51 20.946 7.995 8.126 1.00 4.54 H new ATOM 2333 N ILE B 52 20.634 10.707 8.168 1.00 2.73 N ATOM 2334 CA ILE B 52 19.665 11.786 8.418 1.00 2.87 C ATOM 2335 C ILE B 52 20.252 13.145 8.049 1.00 2.53 C ATOM 2336 O ILE B 52 19.512 13.987 7.568 1.00 2.61 O ATOM 2337 CB ILE B 52 19.126 11.800 9.878 1.00 3.28 C ATOM 2338 CG1 ILE B 52 20.157 12.223 10.957 1.00 3.21 C ATOM 2339 CG2 ILE B 52 18.486 10.462 10.270 1.00 3.70 C ATOM 2340 CD1 ILE B 52 20.108 13.728 11.266 1.00 3.38 C ATOM 0 H ILE B 52 20.806 10.116 8.981 1.00 2.73 H new ATOM 0 HA ILE B 52 18.811 11.582 7.773 1.00 2.87 H new ATOM 0 HB ILE B 52 18.365 12.580 9.861 1.00 3.28 H new ATOM 0 HG12 ILE B 52 19.970 11.662 11.873 1.00 3.21 H new ATOM 0 HG13 ILE B 52 21.159 11.958 10.620 1.00 3.21 H new ATOM 0 HG21 ILE B 52 18.124 10.519 11.297 1.00 3.70 H new ATOM 0 HG22 ILE B 52 17.651 10.249 9.602 1.00 3.70 H new ATOM 0 HG23 ILE B 52 19.227 9.667 10.190 1.00 3.70 H new ATOM 0 HD11 ILE B 52 20.850 13.967 12.027 1.00 3.38 H new ATOM 0 HD12 ILE B 52 20.323 14.293 10.359 1.00 3.38 H new ATOM 0 HD13 ILE B 52 19.116 13.992 11.631 1.00 3.38 H new ATOM 2352 N ASP B 53 21.556 13.327 8.265 1.00 2.22 N ATOM 2353 CA ASP B 53 22.270 14.589 8.111 1.00 2.03 C ATOM 2354 C ASP B 53 22.358 15.017 6.646 1.00 1.91 C ATOM 2355 O ASP B 53 21.860 16.094 6.333 1.00 1.91 O ATOM 2356 CB ASP B 53 23.654 14.454 8.766 1.00 1.86 C ATOM 2357 CG ASP B 53 24.412 15.783 8.797 1.00 2.36 C ATOM 2358 OD1 ASP B 53 23.841 16.755 9.342 1.00 3.01 O ATOM 2359 OD2 ASP B 53 25.564 15.805 8.308 1.00 3.12 O ATOM 0 H ASP B 53 22.165 12.566 8.564 1.00 2.22 H new ATOM 0 HA ASP B 53 21.718 15.383 8.614 1.00 2.03 H new ATOM 0 HB2 ASP B 53 23.538 14.081 9.783 1.00 1.86 H new ATOM 0 HB3 ASP B 53 24.242 13.715 8.221 1.00 1.86 H new ATOM 2364 N ASP B 54 22.880 14.181 5.727 1.00 1.87 N ATOM 2365 CA ASP B 54 22.839 14.535 4.297 1.00 1.84 C ATOM 2366 C ASP B 54 21.398 14.704 3.836 1.00 1.69 C ATOM 2367 O ASP B 54 21.082 15.702 3.204 1.00 1.75 O ATOM 2368 CB ASP B 54 23.493 13.513 3.353 1.00 1.95 C ATOM 2369 CG ASP B 54 23.543 14.112 1.921 1.00 2.17 C ATOM 2370 OD1 ASP B 54 22.493 14.112 1.219 1.00 2.77 O ATOM 2371 OD2 ASP B 54 24.606 14.642 1.538 1.00 2.78 O ATOM 0 H ASP B 54 23.321 13.286 5.939 1.00 1.87 H new ATOM 0 HA ASP B 54 23.413 15.459 4.235 1.00 1.84 H new ATOM 0 HB2 ASP B 54 24.499 13.272 3.696 1.00 1.95 H new ATOM 0 HB3 ASP B 54 22.925 12.583 3.353 1.00 1.95 H new ATOM 2376 N LEU B 55 20.525 13.741 4.145 1.00 1.49 N ATOM 2377 CA LEU B 55 19.181 13.700 3.584 1.00 1.22 C ATOM 2378 C LEU B 55 18.384 14.916 4.049 1.00 1.22 C ATOM 2379 O LEU B 55 17.779 15.610 3.229 1.00 1.17 O ATOM 2380 CB LEU B 55 18.521 12.355 3.952 1.00 1.11 C ATOM 2381 CG LEU B 55 19.257 11.142 3.353 1.00 1.32 C ATOM 2382 CD1 LEU B 55 18.685 9.844 3.941 1.00 1.30 C ATOM 2383 CD2 LEU B 55 19.170 11.110 1.821 1.00 1.40 C ATOM 0 H LEU B 55 20.732 12.976 4.787 1.00 1.49 H new ATOM 0 HA LEU B 55 19.213 13.755 2.496 1.00 1.22 H new ATOM 0 HB2 LEU B 55 18.491 12.256 5.037 1.00 1.11 H new ATOM 0 HB3 LEU B 55 17.488 12.355 3.603 1.00 1.11 H new ATOM 0 HG LEU B 55 20.311 11.233 3.616 1.00 1.32 H new ATOM 0 HD11 LEU B 55 19.209 8.989 3.514 1.00 1.30 H new ATOM 0 HD12 LEU B 55 18.816 9.846 5.023 1.00 1.30 H new ATOM 0 HD13 LEU B 55 17.623 9.774 3.704 1.00 1.30 H new ATOM 0 HD21 LEU B 55 19.703 10.237 1.444 1.00 1.40 H new ATOM 0 HD22 LEU B 55 18.125 11.055 1.517 1.00 1.40 H new ATOM 0 HD23 LEU B 55 19.620 12.015 1.412 1.00 1.40 H new ATOM 2395 N MET B 56 18.455 15.255 5.337 1.00 1.41 N ATOM 2396 CA MET B 56 17.807 16.448 5.892 1.00 1.61 C ATOM 2397 C MET B 56 18.477 17.741 5.416 1.00 1.69 C ATOM 2398 O MET B 56 17.777 18.712 5.125 1.00 1.80 O ATOM 2399 CB MET B 56 17.651 16.344 7.415 1.00 2.03 C ATOM 2400 CG MET B 56 18.831 16.786 8.297 1.00 2.60 C ATOM 2401 SD MET B 56 18.499 18.272 9.276 1.00 3.92 S ATOM 2402 CE MET B 56 17.367 17.527 10.481 1.00 3.12 C ATOM 0 H MET B 56 18.966 14.708 6.030 1.00 1.41 H new ATOM 0 HA MET B 56 16.793 16.497 5.496 1.00 1.61 H new ATOM 0 HB2 MET B 56 16.781 16.935 7.702 1.00 2.03 H new ATOM 0 HB3 MET B 56 17.425 15.305 7.657 1.00 2.03 H new ATOM 0 HG2 MET B 56 19.094 15.970 8.971 1.00 2.60 H new ATOM 0 HG3 MET B 56 19.698 16.967 7.662 1.00 2.60 H new ATOM 0 HE1 MET B 56 16.810 18.313 10.991 1.00 3.12 H new ATOM 0 HE2 MET B 56 16.671 16.865 9.966 1.00 3.12 H new ATOM 0 HE3 MET B 56 17.939 16.955 11.212 1.00 3.12 H new ATOM 2412 N LYS B 57 19.802 17.741 5.215 1.00 1.72 N ATOM 2413 CA LYS B 57 20.513 18.849 4.576 1.00 1.82 C ATOM 2414 C LYS B 57 20.198 18.966 3.071 1.00 1.62 C ATOM 2415 O LYS B 57 20.320 20.028 2.475 1.00 1.65 O ATOM 2416 CB LYS B 57 22.027 18.758 4.865 1.00 2.09 C ATOM 2417 CG LYS B 57 22.851 19.986 4.429 1.00 2.41 C ATOM 2418 CD LYS B 57 22.192 21.288 4.895 1.00 3.70 C ATOM 2419 CE LYS B 57 23.006 22.548 4.603 1.00 4.87 C ATOM 2420 NZ LYS B 57 22.288 23.751 5.098 1.00 6.43 N ATOM 0 H LYS B 57 20.409 16.970 5.493 1.00 1.72 H new ATOM 0 HA LYS B 57 20.149 19.777 5.017 1.00 1.82 H new ATOM 0 HB2 LYS B 57 22.168 18.606 5.935 1.00 2.09 H new ATOM 0 HB3 LYS B 57 22.425 17.876 4.363 1.00 2.09 H new ATOM 0 HG2 LYS B 57 23.858 19.917 4.841 1.00 2.41 H new ATOM 0 HG3 LYS B 57 22.951 19.994 3.344 1.00 2.41 H new ATOM 0 HD2 LYS B 57 21.218 21.380 4.414 1.00 3.70 H new ATOM 0 HD3 LYS B 57 22.013 21.226 5.968 1.00 3.70 H new ATOM 0 HE2 LYS B 57 23.983 22.477 5.081 1.00 4.87 H new ATOM 0 HE3 LYS B 57 23.181 22.636 3.531 1.00 4.87 H new ATOM 0 HZ1 LYS B 57 22.187 24.438 4.324 1.00 6.43 H new ATOM 0 HZ2 LYS B 57 21.346 23.476 5.442 1.00 6.43 H new ATOM 0 HZ3 LYS B 57 22.828 24.182 5.875 1.00 6.43 H new ATOM 2434 N SER B 58 19.758 17.881 2.456 1.00 1.47 N ATOM 2435 CA SER B 58 19.252 17.754 1.085 1.00 1.29 C ATOM 2436 C SER B 58 17.784 18.217 0.928 1.00 1.18 C ATOM 2437 O SER B 58 17.405 18.692 -0.146 1.00 1.27 O ATOM 2438 CB SER B 58 19.578 16.355 0.531 1.00 1.35 C ATOM 2439 OG SER B 58 20.983 16.268 0.283 1.00 2.43 O ATOM 0 H SER B 58 19.741 16.983 2.940 1.00 1.47 H new ATOM 0 HA SER B 58 19.782 18.460 0.446 1.00 1.29 H new ATOM 0 HB2 SER B 58 19.273 15.588 1.243 1.00 1.35 H new ATOM 0 HB3 SER B 58 19.022 16.175 -0.389 1.00 1.35 H new ATOM 0 HG SER B 58 21.334 15.441 0.674 1.00 2.43 H new ATOM 2445 N LEU B 59 16.991 18.235 2.010 1.00 1.22 N ATOM 2446 CA LEU B 59 15.752 19.033 2.101 1.00 1.39 C ATOM 2447 C LEU B 59 16.077 20.531 2.233 1.00 1.57 C ATOM 2448 O LEU B 59 15.624 21.356 1.433 1.00 1.77 O ATOM 2449 CB LEU B 59 14.902 18.554 3.295 1.00 1.51 C ATOM 2450 CG LEU B 59 14.554 17.055 3.313 1.00 1.32 C ATOM 2451 CD1 LEU B 59 13.588 16.776 4.474 1.00 1.55 C ATOM 2452 CD2 LEU B 59 14.011 16.537 1.971 1.00 1.26 C ATOM 0 H LEU B 59 17.189 17.695 2.852 1.00 1.22 H new ATOM 0 HA LEU B 59 15.179 18.892 1.184 1.00 1.39 H new ATOM 0 HB2 LEU B 59 15.434 18.795 4.215 1.00 1.51 H new ATOM 0 HB3 LEU B 59 13.973 19.123 3.306 1.00 1.51 H new ATOM 0 HG LEU B 59 15.478 16.498 3.470 1.00 1.32 H new ATOM 0 HD11 LEU B 59 13.338 15.715 4.492 1.00 1.55 H new ATOM 0 HD12 LEU B 59 14.061 17.053 5.416 1.00 1.55 H new ATOM 0 HD13 LEU B 59 12.678 17.361 4.339 1.00 1.55 H new ATOM 0 HD21 LEU B 59 13.787 15.474 2.055 1.00 1.26 H new ATOM 0 HD22 LEU B 59 13.102 17.080 1.712 1.00 1.26 H new ATOM 0 HD23 LEU B 59 14.759 16.689 1.193 1.00 1.26 H new ATOM 2464 N ASP B 60 16.930 20.847 3.208 1.00 1.61 N ATOM 2465 CA ASP B 60 17.484 22.169 3.554 1.00 1.75 C ATOM 2466 C ASP B 60 18.424 22.763 2.478 1.00 1.52 C ATOM 2467 O ASP B 60 18.951 23.857 2.634 1.00 1.58 O ATOM 2468 CB ASP B 60 18.224 21.986 4.881 1.00 1.98 C ATOM 2469 CG ASP B 60 18.496 23.261 5.681 1.00 2.30 C ATOM 2470 OD1 ASP B 60 17.525 23.759 6.302 1.00 3.61 O ATOM 2471 OD2 ASP B 60 19.692 23.613 5.811 1.00 2.32 O ATOM 0 H ASP B 60 17.286 20.125 3.835 1.00 1.61 H new ATOM 0 HA ASP B 60 16.669 22.889 3.626 1.00 1.75 H new ATOM 0 HB2 ASP B 60 17.645 21.306 5.506 1.00 1.98 H new ATOM 0 HB3 ASP B 60 19.177 21.498 4.678 1.00 1.98 H new ATOM 2476 N LYS B 61 18.653 22.028 1.385 1.00 1.42 N ATOM 2477 CA LYS B 61 19.362 22.471 0.173 1.00 1.38 C ATOM 2478 C LYS B 61 18.513 23.454 -0.658 1.00 1.41 C ATOM 2479 O LYS B 61 19.041 24.184 -1.491 1.00 1.62 O ATOM 2480 CB LYS B 61 19.680 21.207 -0.660 1.00 1.30 C ATOM 2481 CG LYS B 61 20.989 21.207 -1.466 1.00 1.81 C ATOM 2482 CD LYS B 61 22.269 20.937 -0.643 1.00 2.49 C ATOM 2483 CE LYS B 61 22.354 19.566 0.061 1.00 3.35 C ATOM 2484 NZ LYS B 61 22.463 18.398 -0.854 1.00 4.05 N ATOM 0 H LYS B 61 18.335 21.061 1.315 1.00 1.42 H new ATOM 0 HA LYS B 61 20.273 23.000 0.453 1.00 1.38 H new ATOM 0 HB2 LYS B 61 19.700 20.353 0.017 1.00 1.30 H new ATOM 0 HB3 LYS B 61 18.856 21.044 -1.354 1.00 1.30 H new ATOM 0 HG2 LYS B 61 20.914 20.453 -2.250 1.00 1.81 H new ATOM 0 HG3 LYS B 61 21.092 22.172 -1.961 1.00 1.81 H new ATOM 0 HD2 LYS B 61 23.129 21.035 -1.306 1.00 2.49 H new ATOM 0 HD3 LYS B 61 22.360 21.716 0.114 1.00 2.49 H new ATOM 0 HE2 LYS B 61 23.217 19.569 0.727 1.00 3.35 H new ATOM 0 HE3 LYS B 61 21.469 19.439 0.685 1.00 3.35 H new ATOM 0 HZ1 LYS B 61 21.921 17.600 -0.465 1.00 4.05 H new ATOM 0 HZ2 LYS B 61 22.083 18.652 -1.788 1.00 4.05 H new ATOM 0 HZ3 LYS B 61 23.462 18.124 -0.950 1.00 4.05 H new ATOM 2498 N ASN B 62 17.197 23.398 -0.442 1.00 1.36 N ATOM 2499 CA ASN B 62 16.154 24.102 -1.188 1.00 1.66 C ATOM 2500 C ASN B 62 15.212 24.874 -0.251 1.00 1.81 C ATOM 2501 O ASN B 62 14.820 25.984 -0.573 1.00 2.65 O ATOM 2502 CB ASN B 62 15.366 23.043 -1.974 1.00 1.76 C ATOM 2503 CG ASN B 62 16.023 22.744 -3.305 1.00 1.95 C ATOM 2504 OD1 ASN B 62 16.816 21.816 -3.430 1.00 2.07 O ATOM 2505 ND2 ASN B 62 15.714 23.535 -4.311 1.00 2.54 N ATOM 0 H ASN B 62 16.808 22.824 0.306 1.00 1.36 H new ATOM 0 HA ASN B 62 16.607 24.835 -1.855 1.00 1.66 H new ATOM 0 HB2 ASN B 62 15.297 22.128 -1.386 1.00 1.76 H new ATOM 0 HB3 ASN B 62 14.347 23.393 -2.139 1.00 1.76 H new ATOM 0 HD21 ASN B 62 16.138 23.385 -5.227 1.00 2.54 H new ATOM 0 HD22 ASN B 62 15.051 24.298 -4.175 1.00 2.54 H new ATOM 2512 N SER B 63 14.861 24.264 0.886 1.00 1.45 N ATOM 2513 CA SER B 63 14.330 24.829 2.139 1.00 1.58 C ATOM 2514 C SER B 63 13.041 25.657 2.110 1.00 1.70 C ATOM 2515 O SER B 63 12.122 25.359 2.864 1.00 1.96 O ATOM 2516 CB SER B 63 15.431 25.572 2.920 1.00 1.75 C ATOM 2517 OG SER B 63 16.056 26.614 2.200 1.00 2.72 O ATOM 0 H SER B 63 14.951 23.251 0.963 1.00 1.45 H new ATOM 0 HA SER B 63 14.000 23.925 2.651 1.00 1.58 H new ATOM 0 HB2 SER B 63 14.997 25.985 3.831 1.00 1.75 H new ATOM 0 HB3 SER B 63 16.190 24.853 3.227 1.00 1.75 H new ATOM 0 HG SER B 63 15.641 27.470 2.436 1.00 2.72 H new ATOM 2523 N ASP B 64 12.950 26.676 1.269 1.00 1.66 N ATOM 2524 CA ASP B 64 11.921 27.721 1.262 1.00 1.93 C ATOM 2525 C ASP B 64 10.937 27.410 0.139 1.00 1.94 C ATOM 2526 O ASP B 64 10.588 28.214 -0.722 1.00 2.77 O ATOM 2527 CB ASP B 64 12.605 29.091 1.140 1.00 2.24 C ATOM 2528 CG ASP B 64 13.511 29.338 2.344 1.00 2.71 C ATOM 2529 OD1 ASP B 64 14.645 28.799 2.378 1.00 3.11 O ATOM 2530 OD2 ASP B 64 13.072 29.984 3.321 1.00 3.52 O ATOM 0 H ASP B 64 13.633 26.809 0.523 1.00 1.66 H new ATOM 0 HA ASP B 64 11.348 27.749 2.189 1.00 1.93 H new ATOM 0 HB2 ASP B 64 13.190 29.133 0.221 1.00 2.24 H new ATOM 0 HB3 ASP B 64 11.852 29.877 1.075 1.00 2.24 H new ATOM 2535 N GLN B 65 10.585 26.137 0.113 1.00 1.43 N ATOM 2536 CA GLN B 65 9.644 25.490 -0.773 1.00 1.36 C ATOM 2537 C GLN B 65 8.872 24.470 0.076 1.00 1.08 C ATOM 2538 O GLN B 65 9.268 24.187 1.209 1.00 1.22 O ATOM 2539 CB GLN B 65 10.373 24.794 -1.953 1.00 1.51 C ATOM 2540 CG GLN B 65 11.912 24.711 -1.975 1.00 1.51 C ATOM 2541 CD GLN B 65 12.611 25.733 -2.870 1.00 2.55 C ATOM 2542 OE1 GLN B 65 13.449 25.371 -3.686 1.00 2.95 O ATOM 2543 NE2 GLN B 65 12.316 27.014 -2.801 1.00 3.99 N ATOM 0 H GLN B 65 10.990 25.473 0.773 1.00 1.43 H new ATOM 0 HA GLN B 65 8.967 26.219 -1.218 1.00 1.36 H new ATOM 0 HB2 GLN B 65 9.994 23.774 -2.010 1.00 1.51 H new ATOM 0 HB3 GLN B 65 10.064 25.301 -2.867 1.00 1.51 H new ATOM 0 HG2 GLN B 65 12.280 24.834 -0.956 1.00 1.51 H new ATOM 0 HG3 GLN B 65 12.200 23.711 -2.300 1.00 1.51 H new ATOM 0 HE21 GLN B 65 11.621 27.342 -2.130 1.00 3.99 H new ATOM 0 HE22 GLN B 65 12.782 27.679 -3.419 1.00 3.99 H new ATOM 2552 N GLU B 66 7.820 23.873 -0.477 1.00 0.93 N ATOM 2553 CA GLU B 66 7.196 22.702 0.133 1.00 0.71 C ATOM 2554 C GLU B 66 7.982 21.412 -0.176 1.00 0.72 C ATOM 2555 O GLU B 66 8.924 21.377 -0.976 1.00 1.08 O ATOM 2556 CB GLU B 66 5.705 22.612 -0.260 1.00 1.03 C ATOM 2557 CG GLU B 66 4.868 23.664 0.485 1.00 1.40 C ATOM 2558 CD GLU B 66 3.373 23.559 0.172 1.00 2.21 C ATOM 2559 OE1 GLU B 66 3.003 23.787 -0.994 1.00 2.53 O ATOM 2560 OE2 GLU B 66 2.585 23.264 1.104 1.00 3.28 O ATOM 0 H GLU B 66 7.382 24.180 -1.345 1.00 0.93 H new ATOM 0 HA GLU B 66 7.231 22.818 1.216 1.00 0.71 H new ATOM 0 HB2 GLU B 66 5.601 22.756 -1.335 1.00 1.03 H new ATOM 0 HB3 GLU B 66 5.326 21.615 -0.033 1.00 1.03 H new ATOM 0 HG2 GLU B 66 5.019 23.549 1.558 1.00 1.40 H new ATOM 0 HG3 GLU B 66 5.222 24.660 0.218 1.00 1.40 H new ATOM 2567 N ILE B 67 7.573 20.358 0.525 1.00 0.68 N ATOM 2568 CA ILE B 67 7.749 18.926 0.256 1.00 0.81 C ATOM 2569 C ILE B 67 6.351 18.300 0.184 1.00 0.90 C ATOM 2570 O ILE B 67 5.469 18.711 0.942 1.00 0.93 O ATOM 2571 CB ILE B 67 8.545 18.265 1.408 1.00 0.81 C ATOM 2572 CG1 ILE B 67 9.991 18.786 1.391 1.00 1.28 C ATOM 2573 CG2 ILE B 67 8.483 16.734 1.291 1.00 1.67 C ATOM 2574 CD1 ILE B 67 10.859 18.272 2.534 1.00 1.40 C ATOM 0 H ILE B 67 7.053 20.498 1.391 1.00 0.68 H new ATOM 0 HA ILE B 67 8.296 18.777 -0.675 1.00 0.81 H new ATOM 0 HB ILE B 67 8.099 18.531 2.367 1.00 0.81 H new ATOM 0 HG12 ILE B 67 10.454 18.506 0.445 1.00 1.28 H new ATOM 0 HG13 ILE B 67 9.972 19.875 1.427 1.00 1.28 H new ATOM 0 HG21 ILE B 67 9.047 16.284 2.108 1.00 1.67 H new ATOM 0 HG22 ILE B 67 7.445 16.407 1.344 1.00 1.67 H new ATOM 0 HG23 ILE B 67 8.913 16.424 0.339 1.00 1.67 H new ATOM 0 HD11 ILE B 67 11.862 18.689 2.445 1.00 1.40 H new ATOM 0 HD12 ILE B 67 10.423 18.575 3.486 1.00 1.40 H new ATOM 0 HD13 ILE B 67 10.913 17.184 2.489 1.00 1.40 H new ATOM 2586 N ASP B 68 6.167 17.273 -0.647 1.00 1.07 N ATOM 2587 CA ASP B 68 4.984 16.399 -0.622 1.00 1.22 C ATOM 2588 C ASP B 68 5.229 15.075 0.130 1.00 1.25 C ATOM 2589 O ASP B 68 6.358 14.614 0.326 1.00 1.43 O ATOM 2590 CB ASP B 68 4.414 16.191 -2.045 1.00 1.35 C ATOM 2591 CG ASP B 68 4.547 14.761 -2.589 1.00 1.62 C ATOM 2592 OD1 ASP B 68 5.699 14.294 -2.735 1.00 2.69 O ATOM 2593 OD2 ASP B 68 3.504 14.094 -2.808 1.00 1.79 O ATOM 0 H ASP B 68 6.842 17.018 -1.368 1.00 1.07 H new ATOM 0 HA ASP B 68 4.217 16.913 -0.043 1.00 1.22 H new ATOM 0 HB2 ASP B 68 3.360 16.467 -2.043 1.00 1.35 H new ATOM 0 HB3 ASP B 68 4.921 16.873 -2.728 1.00 1.35 H new ATOM 2598 N PHE B 69 4.129 14.424 0.517 1.00 1.18 N ATOM 2599 CA PHE B 69 4.154 13.184 1.294 1.00 1.17 C ATOM 2600 C PHE B 69 4.921 12.028 0.610 1.00 1.14 C ATOM 2601 O PHE B 69 5.332 11.087 1.287 1.00 1.17 O ATOM 2602 CB PHE B 69 2.704 12.802 1.643 1.00 1.14 C ATOM 2603 CG PHE B 69 2.510 12.252 3.046 1.00 1.80 C ATOM 2604 CD1 PHE B 69 2.768 10.898 3.337 1.00 3.44 C ATOM 2605 CD2 PHE B 69 2.036 13.100 4.066 1.00 2.30 C ATOM 2606 CE1 PHE B 69 2.529 10.389 4.626 1.00 4.36 C ATOM 2607 CE2 PHE B 69 1.798 12.596 5.356 1.00 3.22 C ATOM 2608 CZ PHE B 69 2.038 11.238 5.634 1.00 3.94 C ATOM 0 H PHE B 69 3.187 14.747 0.297 1.00 1.18 H new ATOM 0 HA PHE B 69 4.721 13.365 2.207 1.00 1.17 H new ATOM 0 HB2 PHE B 69 2.072 13.682 1.522 1.00 1.14 H new ATOM 0 HB3 PHE B 69 2.356 12.059 0.925 1.00 1.14 H new ATOM 0 HD1 PHE B 69 3.152 10.247 2.565 1.00 3.44 H new ATOM 0 HD2 PHE B 69 1.854 14.144 3.855 1.00 2.30 H new ATOM 0 HE1 PHE B 69 2.722 9.348 4.841 1.00 4.36 H new ATOM 0 HE2 PHE B 69 1.431 13.250 6.133 1.00 3.22 H new ATOM 0 HZ PHE B 69 1.845 10.847 6.622 1.00 3.94 H new ATOM 2618 N LYS B 70 5.163 12.065 -0.709 1.00 1.12 N ATOM 2619 CA LYS B 70 5.883 11.008 -1.433 1.00 1.13 C ATOM 2620 C LYS B 70 7.398 11.129 -1.289 1.00 1.20 C ATOM 2621 O LYS B 70 8.024 10.099 -1.001 1.00 1.27 O ATOM 2622 CB LYS B 70 5.535 11.049 -2.914 1.00 1.19 C ATOM 2623 CG LYS B 70 4.066 10.768 -3.207 1.00 1.29 C ATOM 2624 CD LYS B 70 3.753 11.236 -4.629 1.00 2.00 C ATOM 2625 CE LYS B 70 2.371 10.705 -4.970 1.00 3.48 C ATOM 2626 NZ LYS B 70 1.757 11.432 -6.104 1.00 4.63 N ATOM 0 H LYS B 70 4.862 12.835 -1.307 1.00 1.12 H new ATOM 0 HA LYS B 70 5.569 10.062 -0.991 1.00 1.13 H new ATOM 0 HB2 LYS B 70 5.794 12.030 -3.312 1.00 1.19 H new ATOM 0 HB3 LYS B 70 6.148 10.319 -3.442 1.00 1.19 H new ATOM 0 HG2 LYS B 70 3.857 9.703 -3.105 1.00 1.29 H new ATOM 0 HG3 LYS B 70 3.431 11.288 -2.489 1.00 1.29 H new ATOM 0 HD2 LYS B 70 3.776 12.324 -4.692 1.00 2.00 H new ATOM 0 HD3 LYS B 70 4.496 10.860 -5.332 1.00 2.00 H new ATOM 0 HE2 LYS B 70 2.441 9.645 -5.215 1.00 3.48 H new ATOM 0 HE3 LYS B 70 1.726 10.788 -4.095 1.00 3.48 H new ATOM 0 HZ1 LYS B 70 0.954 11.996 -5.761 1.00 4.63 H new ATOM 0 HZ2 LYS B 70 2.463 12.062 -6.536 1.00 4.63 H new ATOM 0 HZ3 LYS B 70 1.422 10.749 -6.814 1.00 4.63 H new ATOM 2640 N GLU B 71 7.953 12.349 -1.405 1.00 1.19 N ATOM 2641 CA GLU B 71 9.341 12.597 -0.977 1.00 1.17 C ATOM 2642 C GLU B 71 9.513 12.074 0.452 1.00 1.22 C ATOM 2643 O GLU B 71 10.499 11.421 0.787 1.00 1.29 O ATOM 2644 CB GLU B 71 9.739 14.085 -0.938 1.00 1.06 C ATOM 2645 CG GLU B 71 9.444 14.977 -2.153 1.00 0.94 C ATOM 2646 CD GLU B 71 10.310 16.253 -2.114 1.00 1.70 C ATOM 2647 OE1 GLU B 71 11.551 16.149 -2.252 1.00 2.33 O ATOM 2648 OE2 GLU B 71 9.768 17.362 -1.902 1.00 3.04 O ATOM 0 H GLU B 71 7.472 13.165 -1.784 1.00 1.19 H new ATOM 0 HA GLU B 71 9.970 12.095 -1.712 1.00 1.17 H new ATOM 0 HB2 GLU B 71 9.245 14.533 -0.076 1.00 1.06 H new ATOM 0 HB3 GLU B 71 10.812 14.132 -0.751 1.00 1.06 H new ATOM 0 HG2 GLU B 71 9.641 14.425 -3.072 1.00 0.94 H new ATOM 0 HG3 GLU B 71 8.388 15.248 -2.164 1.00 0.94 H new ATOM 2655 N TYR B 72 8.496 12.299 1.293 1.00 1.20 N ATOM 2656 CA TYR B 72 8.581 11.951 2.709 1.00 1.24 C ATOM 2657 C TYR B 72 8.524 10.430 2.921 1.00 1.22 C ATOM 2658 O TYR B 72 9.292 9.868 3.695 1.00 1.17 O ATOM 2659 CB TYR B 72 7.478 12.686 3.479 1.00 1.22 C ATOM 2660 CG TYR B 72 7.446 12.411 4.967 1.00 1.47 C ATOM 2661 CD1 TYR B 72 8.633 12.452 5.729 1.00 2.77 C ATOM 2662 CD2 TYR B 72 6.216 12.141 5.599 1.00 1.46 C ATOM 2663 CE1 TYR B 72 8.587 12.270 7.122 1.00 3.17 C ATOM 2664 CE2 TYR B 72 6.164 11.954 6.994 1.00 1.67 C ATOM 2665 CZ TYR B 72 7.352 12.044 7.756 1.00 2.27 C ATOM 2666 OH TYR B 72 7.314 11.887 9.100 1.00 2.74 O ATOM 0 H TYR B 72 7.609 12.719 1.015 1.00 1.20 H new ATOM 0 HA TYR B 72 9.546 12.273 3.099 1.00 1.24 H new ATOM 0 HB2 TYR B 72 7.601 13.758 3.325 1.00 1.22 H new ATOM 0 HB3 TYR B 72 6.513 12.411 3.053 1.00 1.22 H new ATOM 0 HD1 TYR B 72 9.580 12.624 5.240 1.00 2.77 H new ATOM 0 HD2 TYR B 72 5.311 12.077 5.013 1.00 1.46 H new ATOM 0 HE1 TYR B 72 9.497 12.304 7.703 1.00 3.17 H new ATOM 0 HE2 TYR B 72 5.222 11.743 7.479 1.00 1.67 H new ATOM 0 HH TYR B 72 8.042 12.399 9.510 1.00 2.74 H new ATOM 2676 N SER B 73 7.662 9.740 2.180 1.00 1.27 N ATOM 2677 CA SER B 73 7.563 8.284 2.190 1.00 1.35 C ATOM 2678 C SER B 73 8.864 7.603 1.735 1.00 1.32 C ATOM 2679 O SER B 73 9.329 6.688 2.431 1.00 1.30 O ATOM 2680 CB SER B 73 6.366 7.843 1.343 1.00 1.56 C ATOM 2681 OG SER B 73 6.142 6.468 1.569 1.00 2.03 O ATOM 0 H SER B 73 7.001 10.185 1.544 1.00 1.27 H new ATOM 0 HA SER B 73 7.404 7.963 3.219 1.00 1.35 H new ATOM 0 HB2 SER B 73 5.480 8.420 1.609 1.00 1.56 H new ATOM 0 HB3 SER B 73 6.561 8.027 0.286 1.00 1.56 H new ATOM 0 HG SER B 73 6.847 5.946 1.133 1.00 2.03 H new ATOM 2687 N VAL B 74 9.513 8.081 0.659 1.00 1.33 N ATOM 2688 CA VAL B 74 10.831 7.546 0.268 1.00 1.32 C ATOM 2689 C VAL B 74 11.928 7.914 1.269 1.00 1.17 C ATOM 2690 O VAL B 74 12.776 7.076 1.528 1.00 1.12 O ATOM 2691 CB VAL B 74 11.289 7.907 -1.165 1.00 1.40 C ATOM 2692 CG1 VAL B 74 10.300 7.367 -2.202 1.00 1.56 C ATOM 2693 CG2 VAL B 74 11.541 9.392 -1.437 1.00 1.28 C ATOM 0 H VAL B 74 9.157 8.821 0.055 1.00 1.33 H new ATOM 0 HA VAL B 74 10.677 6.467 0.277 1.00 1.32 H new ATOM 0 HB VAL B 74 12.263 7.426 -1.254 1.00 1.40 H new ATOM 0 HG11 VAL B 74 10.641 7.632 -3.203 1.00 1.56 H new ATOM 0 HG12 VAL B 74 10.238 6.282 -2.115 1.00 1.56 H new ATOM 0 HG13 VAL B 74 9.316 7.802 -2.027 1.00 1.56 H new ATOM 0 HG21 VAL B 74 11.857 9.524 -2.472 1.00 1.28 H new ATOM 0 HG22 VAL B 74 10.624 9.955 -1.263 1.00 1.28 H new ATOM 0 HG23 VAL B 74 12.322 9.757 -0.770 1.00 1.28 H new ATOM 2703 N PHE B 75 11.900 9.103 1.879 1.00 1.12 N ATOM 2704 CA PHE B 75 12.850 9.533 2.910 1.00 0.96 C ATOM 2705 C PHE B 75 12.758 8.655 4.166 1.00 0.95 C ATOM 2706 O PHE B 75 13.776 8.172 4.654 1.00 0.93 O ATOM 2707 CB PHE B 75 12.531 11.001 3.229 1.00 0.81 C ATOM 2708 CG PHE B 75 13.564 11.757 4.032 1.00 0.61 C ATOM 2709 CD1 PHE B 75 13.777 11.488 5.398 1.00 1.66 C ATOM 2710 CD2 PHE B 75 14.275 12.792 3.406 1.00 2.24 C ATOM 2711 CE1 PHE B 75 14.721 12.236 6.123 1.00 1.75 C ATOM 2712 CE2 PHE B 75 15.196 13.547 4.140 1.00 2.20 C ATOM 2713 CZ PHE B 75 15.433 13.270 5.496 1.00 0.74 C ATOM 0 H PHE B 75 11.198 9.811 1.664 1.00 1.12 H new ATOM 0 HA PHE B 75 13.874 9.432 2.549 1.00 0.96 H new ATOM 0 HB2 PHE B 75 12.377 11.529 2.288 1.00 0.81 H new ATOM 0 HB3 PHE B 75 11.586 11.035 3.771 1.00 0.81 H new ATOM 0 HD1 PHE B 75 13.215 10.707 5.889 1.00 1.66 H new ATOM 0 HD2 PHE B 75 14.112 13.005 2.360 1.00 2.24 H new ATOM 0 HE1 PHE B 75 14.899 12.014 7.165 1.00 1.75 H new ATOM 0 HE2 PHE B 75 15.731 14.352 3.658 1.00 2.20 H new ATOM 0 HZ PHE B 75 16.157 13.848 6.052 1.00 0.74 H new ATOM 2723 N LEU B 76 11.541 8.387 4.657 1.00 1.00 N ATOM 2724 CA LEU B 76 11.299 7.483 5.784 1.00 0.99 C ATOM 2725 C LEU B 76 11.713 6.048 5.459 1.00 1.04 C ATOM 2726 O LEU B 76 12.369 5.397 6.272 1.00 0.99 O ATOM 2727 CB LEU B 76 9.802 7.495 6.134 1.00 1.07 C ATOM 2728 CG LEU B 76 9.286 8.764 6.834 1.00 1.08 C ATOM 2729 CD1 LEU B 76 7.762 8.633 6.925 1.00 1.58 C ATOM 2730 CD2 LEU B 76 9.910 8.937 8.227 1.00 1.17 C ATOM 0 H LEU B 76 10.688 8.798 4.277 1.00 1.00 H new ATOM 0 HA LEU B 76 11.898 7.833 6.625 1.00 0.99 H new ATOM 0 HB2 LEU B 76 9.233 7.353 5.215 1.00 1.07 H new ATOM 0 HB3 LEU B 76 9.592 6.639 6.775 1.00 1.07 H new ATOM 0 HG LEU B 76 9.567 9.651 6.266 1.00 1.08 H new ATOM 0 HD11 LEU B 76 7.350 9.514 7.417 1.00 1.58 H new ATOM 0 HD12 LEU B 76 7.344 8.548 5.922 1.00 1.58 H new ATOM 0 HD13 LEU B 76 7.507 7.743 7.501 1.00 1.58 H new ATOM 0 HD21 LEU B 76 9.521 9.844 8.690 1.00 1.17 H new ATOM 0 HD22 LEU B 76 9.659 8.077 8.848 1.00 1.17 H new ATOM 0 HD23 LEU B 76 10.993 9.013 8.134 1.00 1.17 H new ATOM 2742 N THR B 77 11.344 5.563 4.268 1.00 1.12 N ATOM 2743 CA THR B 77 11.640 4.195 3.828 1.00 1.12 C ATOM 2744 C THR B 77 13.138 3.995 3.595 1.00 1.15 C ATOM 2745 O THR B 77 13.680 2.975 4.009 1.00 1.18 O ATOM 2746 CB THR B 77 10.780 3.818 2.614 1.00 1.12 C ATOM 2747 OG1 THR B 77 9.420 3.979 2.951 1.00 1.10 O ATOM 2748 CG2 THR B 77 11.008 2.357 2.241 1.00 1.11 C ATOM 0 H THR B 77 10.829 6.111 3.579 1.00 1.12 H new ATOM 0 HA THR B 77 11.370 3.505 4.627 1.00 1.12 H new ATOM 0 HB THR B 77 11.052 4.458 1.774 1.00 1.12 H new ATOM 0 HG1 THR B 77 9.163 4.917 2.834 1.00 1.10 H new ATOM 0 HG21 THR B 77 10.392 2.101 1.378 1.00 1.11 H new ATOM 0 HG22 THR B 77 12.059 2.204 1.995 1.00 1.11 H new ATOM 0 HG23 THR B 77 10.736 1.720 3.083 1.00 1.11 H new ATOM 2756 N MET B 78 13.823 5.000 3.050 1.00 1.12 N ATOM 2757 CA MET B 78 15.282 5.088 2.917 1.00 1.12 C ATOM 2758 C MET B 78 15.992 5.031 4.280 1.00 1.03 C ATOM 2759 O MET B 78 16.857 4.178 4.479 1.00 1.01 O ATOM 2760 CB MET B 78 15.603 6.379 2.144 1.00 1.08 C ATOM 2761 CG MET B 78 17.084 6.713 2.008 1.00 1.31 C ATOM 2762 SD MET B 78 17.475 7.853 0.654 1.00 1.66 S ATOM 2763 CE MET B 78 16.223 9.145 0.892 1.00 1.38 C ATOM 0 H MET B 78 13.352 5.820 2.668 1.00 1.12 H new ATOM 0 HA MET B 78 15.658 4.226 2.366 1.00 1.12 H new ATOM 0 HB2 MET B 78 15.173 6.300 1.145 1.00 1.08 H new ATOM 0 HB3 MET B 78 15.105 7.212 2.640 1.00 1.08 H new ATOM 0 HG2 MET B 78 17.433 7.148 2.945 1.00 1.31 H new ATOM 0 HG3 MET B 78 17.640 5.788 1.859 1.00 1.31 H new ATOM 0 HE1 MET B 78 16.469 10.009 0.274 1.00 1.38 H new ATOM 0 HE2 MET B 78 15.244 8.761 0.604 1.00 1.38 H new ATOM 0 HE3 MET B 78 16.202 9.443 1.940 1.00 1.38 H new ATOM 2773 N LEU B 79 15.595 5.883 5.233 1.00 1.02 N ATOM 2774 CA LEU B 79 16.175 5.873 6.585 1.00 0.99 C ATOM 2775 C LEU B 79 15.883 4.562 7.324 1.00 0.93 C ATOM 2776 O LEU B 79 16.714 4.102 8.098 1.00 0.89 O ATOM 2777 CB LEU B 79 15.694 7.094 7.397 1.00 1.04 C ATOM 2778 CG LEU B 79 16.793 7.780 8.235 1.00 1.36 C ATOM 2779 CD1 LEU B 79 17.590 6.853 9.162 1.00 1.47 C ATOM 2780 CD2 LEU B 79 17.744 8.554 7.311 1.00 2.82 C ATOM 0 H LEU B 79 14.873 6.590 5.094 1.00 1.02 H new ATOM 0 HA LEU B 79 17.257 5.942 6.477 1.00 0.99 H new ATOM 0 HB2 LEU B 79 15.269 7.826 6.710 1.00 1.04 H new ATOM 0 HB3 LEU B 79 14.891 6.778 8.063 1.00 1.04 H new ATOM 0 HG LEU B 79 16.263 8.456 8.906 1.00 1.36 H new ATOM 0 HD11 LEU B 79 18.336 7.434 9.704 1.00 1.47 H new ATOM 0 HD12 LEU B 79 16.913 6.379 9.872 1.00 1.47 H new ATOM 0 HD13 LEU B 79 18.089 6.087 8.569 1.00 1.47 H new ATOM 0 HD21 LEU B 79 18.518 9.037 7.908 1.00 2.82 H new ATOM 0 HD22 LEU B 79 18.207 7.864 6.605 1.00 2.82 H new ATOM 0 HD23 LEU B 79 17.183 9.311 6.763 1.00 2.82 H new ATOM 2792 N CYS B 80 14.735 3.931 7.065 1.00 1.03 N ATOM 2793 CA CYS B 80 14.435 2.610 7.613 1.00 1.05 C ATOM 2794 C CYS B 80 15.441 1.562 7.110 1.00 1.16 C ATOM 2795 O CYS B 80 16.027 0.849 7.920 1.00 1.21 O ATOM 2796 CB CYS B 80 12.971 2.277 7.292 1.00 1.21 C ATOM 2797 SG CYS B 80 12.422 0.874 8.307 1.00 1.22 S ATOM 0 H CYS B 80 13.997 4.317 6.477 1.00 1.03 H new ATOM 0 HA CYS B 80 14.547 2.604 8.697 1.00 1.05 H new ATOM 0 HB2 CYS B 80 12.341 3.145 7.484 1.00 1.21 H new ATOM 0 HB3 CYS B 80 12.867 2.035 6.234 1.00 1.21 H new ATOM 0 HG CYS B 80 11.182 0.599 8.032 1.00 1.22 H new ATOM 2803 N MET B 81 15.726 1.500 5.803 1.00 1.29 N ATOM 2804 CA MET B 81 16.707 0.549 5.261 1.00 1.44 C ATOM 2805 C MET B 81 18.159 0.903 5.600 1.00 1.42 C ATOM 2806 O MET B 81 19.000 0.008 5.627 1.00 1.58 O ATOM 2807 CB MET B 81 16.479 0.270 3.779 1.00 1.68 C ATOM 2808 CG MET B 81 16.620 1.460 2.830 1.00 2.52 C ATOM 2809 SD MET B 81 16.564 1.014 1.072 1.00 2.95 S ATOM 2810 CE MET B 81 15.284 -0.271 1.103 1.00 2.71 C ATOM 0 H MET B 81 15.291 2.098 5.100 1.00 1.29 H new ATOM 0 HA MET B 81 16.530 -0.394 5.779 1.00 1.44 H new ATOM 0 HB2 MET B 81 17.182 -0.501 3.465 1.00 1.68 H new ATOM 0 HB3 MET B 81 15.478 -0.144 3.660 1.00 1.68 H new ATOM 0 HG2 MET B 81 15.823 2.174 3.039 1.00 2.52 H new ATOM 0 HG3 MET B 81 17.563 1.966 3.036 1.00 2.52 H new ATOM 0 HE1 MET B 81 14.975 -0.501 0.083 1.00 2.71 H new ATOM 0 HE2 MET B 81 15.682 -1.170 1.574 1.00 2.71 H new ATOM 0 HE3 MET B 81 14.424 0.085 1.671 1.00 2.71 H new ATOM 2820 N ALA B 82 18.447 2.160 5.956 1.00 1.31 N ATOM 2821 CA ALA B 82 19.733 2.557 6.531 1.00 1.34 C ATOM 2822 C ALA B 82 20.039 1.925 7.913 1.00 1.25 C ATOM 2823 O ALA B 82 21.174 2.018 8.392 1.00 1.45 O ATOM 2824 CB ALA B 82 19.813 4.088 6.565 1.00 1.32 C ATOM 0 H ALA B 82 17.790 2.933 5.852 1.00 1.31 H new ATOM 0 HA ALA B 82 20.515 2.160 5.884 1.00 1.34 H new ATOM 0 HB1 ALA B 82 20.768 4.393 6.992 1.00 1.32 H new ATOM 0 HB2 ALA B 82 19.727 4.479 5.551 1.00 1.32 H new ATOM 0 HB3 ALA B 82 19.000 4.481 7.176 1.00 1.32 H new ATOM 2830 N TYR B 83 19.070 1.246 8.560 1.00 1.10 N ATOM 2831 CA TYR B 83 19.326 0.478 9.789 1.00 1.11 C ATOM 2832 C TYR B 83 18.424 -0.737 10.101 1.00 1.15 C ATOM 2833 O TYR B 83 18.594 -1.348 11.160 1.00 1.51 O ATOM 2834 CB TYR B 83 19.462 1.438 10.980 1.00 1.20 C ATOM 2835 CG TYR B 83 18.208 2.031 11.597 1.00 1.25 C ATOM 2836 CD1 TYR B 83 17.710 3.284 11.163 1.00 2.16 C ATOM 2837 CD2 TYR B 83 17.632 1.405 12.718 1.00 2.43 C ATOM 2838 CE1 TYR B 83 16.639 3.884 11.844 1.00 2.16 C ATOM 2839 CE2 TYR B 83 16.550 1.998 13.395 1.00 2.73 C ATOM 2840 CZ TYR B 83 16.047 3.238 12.958 1.00 1.77 C ATOM 2841 OH TYR B 83 15.011 3.812 13.624 1.00 2.13 O ATOM 0 H TYR B 83 18.100 1.216 8.247 1.00 1.10 H new ATOM 0 HA TYR B 83 20.269 -0.030 9.588 1.00 1.11 H new ATOM 0 HB2 TYR B 83 19.998 0.910 11.768 1.00 1.20 H new ATOM 0 HB3 TYR B 83 20.096 2.266 10.664 1.00 1.20 H new ATOM 0 HD1 TYR B 83 18.153 3.777 10.310 1.00 2.16 H new ATOM 0 HD2 TYR B 83 18.024 0.460 13.062 1.00 2.43 H new ATOM 0 HE1 TYR B 83 16.264 4.843 11.517 1.00 2.16 H new ATOM 0 HE2 TYR B 83 16.107 1.503 14.247 1.00 2.73 H new ATOM 0 HH TYR B 83 14.731 3.228 14.359 1.00 2.13 H new ATOM 2851 N ASN B 84 17.504 -1.128 9.216 1.00 1.09 N ATOM 2852 CA ASN B 84 16.643 -2.300 9.401 1.00 1.20 C ATOM 2853 C ASN B 84 17.338 -3.631 9.046 1.00 1.27 C ATOM 2854 O ASN B 84 17.544 -3.949 7.876 1.00 1.85 O ATOM 2855 CB ASN B 84 15.343 -2.137 8.595 1.00 1.41 C ATOM 2856 CG ASN B 84 14.538 -3.430 8.556 1.00 2.52 C ATOM 2857 OD1 ASN B 84 14.514 -4.209 9.500 1.00 3.30 O ATOM 2858 ND2 ASN B 84 13.882 -3.722 7.451 1.00 3.64 N ATOM 0 H ASN B 84 17.333 -0.634 8.340 1.00 1.09 H new ATOM 0 HA ASN B 84 16.410 -2.352 10.465 1.00 1.20 H new ATOM 0 HB2 ASN B 84 14.738 -1.345 9.036 1.00 1.41 H new ATOM 0 HB3 ASN B 84 15.582 -1.826 7.578 1.00 1.41 H new ATOM 0 HD21 ASN B 84 13.357 -4.594 7.385 1.00 3.64 H new ATOM 0 HD22 ASN B 84 13.899 -3.076 6.662 1.00 3.64 H new ATOM 2865 N ASP B 85 17.561 -4.439 10.083 1.00 1.60 N ATOM 2866 CA ASP B 85 17.759 -5.899 10.028 1.00 1.88 C ATOM 2867 C ASP B 85 16.735 -6.669 10.891 1.00 2.24 C ATOM 2868 O ASP B 85 16.566 -7.877 10.735 1.00 2.62 O ATOM 2869 CB ASP B 85 19.204 -6.196 10.451 1.00 2.43 C ATOM 2870 CG ASP B 85 20.135 -5.852 9.295 1.00 3.09 C ATOM 2871 OD1 ASP B 85 20.113 -6.607 8.299 1.00 4.35 O ATOM 2872 OD2 ASP B 85 20.792 -4.778 9.296 1.00 3.68 O ATOM 0 H ASP B 85 17.612 -4.080 11.036 1.00 1.60 H new ATOM 0 HA ASP B 85 17.590 -6.248 9.009 1.00 1.88 H new ATOM 0 HB2 ASP B 85 19.466 -5.612 11.333 1.00 2.43 H new ATOM 0 HB3 ASP B 85 19.310 -7.247 10.721 1.00 2.43 H new