USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 659 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 GLN :FLIP amide:sc= -0.894 F(o=-14,f=-8.4) USER MOD Set 1.2: A 86 ASN :FLIP amide:sc= -7.53! C(o=-13!,f=-8.4!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -149:sc= 1.74 USER MOD Single : A 43 THR OG1 : rot 52:sc= -0.508! USER MOD Single : A 47 CYS SG : rot 180:sc= -1.44 USER MOD Single : A 51 SER OG : rot 10:sc= 0.408 USER MOD Single : A 60 HIS : no HE2:sc=-0.00821 K(o=-0.0082,f=-1.3) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.093) USER MOD Single : A 69 ASN : amide:sc= 0.825 K(o=0.83,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot -92:sc= -0.739! USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 15:sc= -0.244 USER MOD Single : A 80 SER OG : rot -33:sc= 0.581 USER MOD Single : A 82 GLN :FLIP amide:sc= -0.797 F(o=-6!,f=-0.8) USER MOD Single : A 84 MET CE :methyl -179:sc= 0 (180deg=-0.000307) USER MOD Single : A 87 LYS NZ :NH3+ 160:sc= -0.165 (180deg=-0.846) USER MOD Single : A 95 ASN :FLIP amide:sc= -2.77 F(o=-7!,f=-2.8) USER MOD Single : A 96 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0437) USER MOD Single : A 99 ASN : amide:sc= 0.676 K(o=0.68,f=-0.00061) USER MOD Single : A 100 ASN :FLIP amide:sc= -7.86! C(o=-11!,f=-7.9!) USER MOD Single : A 105 GLN :FLIP amide:sc= -4.56! C(o=-11!,f=-4.6!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 168:sc=-0.00622 (180deg=-0.161) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 72:sc= 0.438 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot -18:sc= 0.575 USER MOD Single : A 136 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 29 N ILE A 34 5.846 -8.679 1.747 1.00 0.39 N ATOM 30 CA ILE A 34 4.597 -8.167 1.204 1.00 0.25 C ATOM 31 C ILE A 34 3.468 -9.167 1.414 1.00 0.24 C ATOM 32 O ILE A 34 3.226 -10.037 0.578 1.00 0.25 O ATOM 33 CB ILE A 34 4.698 -7.852 -0.303 1.00 0.25 C ATOM 34 CG1 ILE A 34 5.772 -6.792 -0.566 1.00 0.29 C ATOM 35 CG2 ILE A 34 3.347 -7.385 -0.828 1.00 0.32 C ATOM 36 CD1 ILE A 34 5.443 -5.436 0.022 1.00 0.35 C ATOM 0 HA ILE A 34 4.387 -7.241 1.740 1.00 0.25 H new ATOM 0 HB ILE A 34 4.986 -8.762 -0.830 1.00 0.25 H new ATOM 0 HG12 ILE A 34 6.720 -7.137 -0.153 1.00 0.29 H new ATOM 0 HG13 ILE A 34 5.912 -6.688 -1.642 1.00 0.29 H new ATOM 0 HG21 ILE A 34 3.427 -7.165 -1.893 1.00 0.32 H new ATOM 0 HG22 ILE A 34 2.606 -8.169 -0.674 1.00 0.32 H new ATOM 0 HG23 ILE A 34 3.040 -6.486 -0.293 1.00 0.32 H new ATOM 0 HD11 ILE A 34 6.248 -4.737 -0.204 1.00 0.35 H new ATOM 0 HD12 ILE A 34 4.512 -5.069 -0.409 1.00 0.35 H new ATOM 0 HD13 ILE A 34 5.332 -5.525 1.103 1.00 0.35 H new ATOM 48 N THR A 35 2.792 -9.035 2.539 1.00 0.25 N ATOM 49 CA THR A 35 1.675 -9.900 2.871 1.00 0.26 C ATOM 50 C THR A 35 0.481 -9.050 3.267 1.00 0.23 C ATOM 51 O THR A 35 0.539 -7.824 3.178 1.00 0.31 O ATOM 52 CB THR A 35 2.018 -10.859 4.025 1.00 0.33 C ATOM 53 OG1 THR A 35 2.394 -10.111 5.188 1.00 0.36 O ATOM 54 CG2 THR A 35 3.150 -11.797 3.635 1.00 0.35 C ATOM 0 H THR A 35 3.000 -8.329 3.246 1.00 0.25 H new ATOM 0 HA THR A 35 1.443 -10.500 1.991 1.00 0.26 H new ATOM 0 HB THR A 35 1.133 -11.456 4.245 1.00 0.33 H new ATOM 0 HG1 THR A 35 2.609 -10.728 5.918 1.00 0.36 H new ATOM 0 HG21 THR A 35 3.373 -12.464 4.468 1.00 0.35 H new ATOM 0 HG22 THR A 35 2.852 -12.386 2.768 1.00 0.35 H new ATOM 0 HG23 THR A 35 4.038 -11.214 3.390 1.00 0.35 H new ATOM 62 N LYS A 36 -0.598 -9.683 3.694 1.00 0.18 N ATOM 63 CA LYS A 36 -1.769 -8.932 4.112 1.00 0.15 C ATOM 64 C LYS A 36 -1.414 -8.086 5.324 1.00 0.12 C ATOM 65 O LYS A 36 -1.975 -7.015 5.535 1.00 0.14 O ATOM 66 CB LYS A 36 -2.937 -9.869 4.407 1.00 0.20 C ATOM 67 CG LYS A 36 -3.820 -9.431 5.569 1.00 0.27 C ATOM 68 CD LYS A 36 -3.311 -9.965 6.902 1.00 0.61 C ATOM 69 CE LYS A 36 -3.424 -11.482 6.982 1.00 0.57 C ATOM 70 NZ LYS A 36 -2.812 -12.019 8.229 1.00 0.99 N ATOM 0 H LYS A 36 -0.688 -10.697 3.760 1.00 0.18 H new ATOM 0 HA LYS A 36 -2.084 -8.272 3.304 1.00 0.15 H new ATOM 0 HB2 LYS A 36 -3.553 -9.955 3.512 1.00 0.20 H new ATOM 0 HB3 LYS A 36 -2.544 -10.863 4.620 1.00 0.20 H new ATOM 0 HG2 LYS A 36 -3.859 -8.342 5.605 1.00 0.27 H new ATOM 0 HG3 LYS A 36 -4.839 -9.781 5.403 1.00 0.27 H new ATOM 0 HD2 LYS A 36 -2.271 -9.670 7.039 1.00 0.61 H new ATOM 0 HD3 LYS A 36 -3.880 -9.514 7.715 1.00 0.61 H new ATOM 0 HE2 LYS A 36 -4.474 -11.771 6.939 1.00 0.57 H new ATOM 0 HE3 LYS A 36 -2.935 -11.929 6.116 1.00 0.57 H new ATOM 0 HZ1 LYS A 36 -2.909 -13.054 8.246 1.00 0.99 H new ATOM 0 HZ2 LYS A 36 -1.804 -11.766 8.258 1.00 0.99 H new ATOM 0 HZ3 LYS A 36 -3.295 -11.613 9.056 1.00 0.99 H new ATOM 84 N GLY A 37 -0.486 -8.594 6.123 1.00 0.13 N ATOM 85 CA GLY A 37 -0.030 -7.868 7.293 1.00 0.14 C ATOM 86 C GLY A 37 0.669 -6.582 6.900 1.00 0.14 C ATOM 87 O GLY A 37 0.389 -5.519 7.455 1.00 0.15 O ATOM 0 H GLY A 37 -0.039 -9.500 5.982 1.00 0.13 H new ATOM 0 HA2 GLY A 37 -0.879 -7.641 7.938 1.00 0.14 H new ATOM 0 HA3 GLY A 37 0.651 -8.494 7.870 1.00 0.14 H new ATOM 91 N VAL A 38 1.586 -6.684 5.938 1.00 0.15 N ATOM 92 CA VAL A 38 2.313 -5.523 5.443 1.00 0.16 C ATOM 93 C VAL A 38 1.336 -4.563 4.786 1.00 0.15 C ATOM 94 O VAL A 38 1.427 -3.345 4.936 1.00 0.16 O ATOM 95 CB VAL A 38 3.386 -5.942 4.415 1.00 0.21 C ATOM 96 CG1 VAL A 38 3.963 -4.732 3.693 1.00 1.11 C ATOM 97 CG2 VAL A 38 4.488 -6.740 5.094 1.00 1.28 C ATOM 0 H VAL A 38 1.841 -7.563 5.487 1.00 0.15 H new ATOM 0 HA VAL A 38 2.809 -5.039 6.284 1.00 0.16 H new ATOM 0 HB VAL A 38 2.908 -6.576 3.668 1.00 0.21 H new ATOM 0 HG11 VAL A 38 4.716 -5.061 2.976 1.00 1.11 H new ATOM 0 HG12 VAL A 38 3.165 -4.208 3.167 1.00 1.11 H new ATOM 0 HG13 VAL A 38 4.422 -4.060 4.418 1.00 1.11 H new ATOM 0 HG21 VAL A 38 5.236 -7.028 4.356 1.00 1.28 H new ATOM 0 HG22 VAL A 38 4.956 -6.130 5.866 1.00 1.28 H new ATOM 0 HG23 VAL A 38 4.062 -7.635 5.547 1.00 1.28 H new ATOM 107 N VAL A 39 0.401 -5.150 4.059 1.00 0.14 N ATOM 108 CA VAL A 39 -0.628 -4.402 3.362 1.00 0.15 C ATOM 109 C VAL A 39 -1.513 -3.644 4.352 1.00 0.14 C ATOM 110 O VAL A 39 -1.898 -2.502 4.103 1.00 0.17 O ATOM 111 CB VAL A 39 -1.467 -5.349 2.474 1.00 0.15 C ATOM 112 CG1 VAL A 39 -2.950 -5.025 2.526 1.00 0.15 C ATOM 113 CG2 VAL A 39 -0.956 -5.292 1.045 1.00 0.17 C ATOM 0 H VAL A 39 0.335 -6.160 3.936 1.00 0.14 H new ATOM 0 HA VAL A 39 -0.148 -3.665 2.718 1.00 0.15 H new ATOM 0 HB VAL A 39 -1.353 -6.361 2.863 1.00 0.15 H new ATOM 0 HG11 VAL A 39 -3.496 -5.718 1.886 1.00 0.15 H new ATOM 0 HG12 VAL A 39 -3.307 -5.120 3.551 1.00 0.15 H new ATOM 0 HG13 VAL A 39 -3.112 -4.005 2.178 1.00 0.15 H new ATOM 0 HG21 VAL A 39 -1.548 -5.960 0.420 1.00 0.17 H new ATOM 0 HG22 VAL A 39 -1.041 -4.273 0.669 1.00 0.17 H new ATOM 0 HG23 VAL A 39 0.089 -5.602 1.019 1.00 0.17 H new ATOM 123 N LEU A 40 -1.829 -4.283 5.471 1.00 0.13 N ATOM 124 CA LEU A 40 -2.648 -3.657 6.499 1.00 0.14 C ATOM 125 C LEU A 40 -1.912 -2.476 7.119 1.00 0.14 C ATOM 126 O LEU A 40 -2.469 -1.388 7.253 1.00 0.15 O ATOM 127 CB LEU A 40 -3.033 -4.676 7.568 1.00 0.15 C ATOM 128 CG LEU A 40 -4.160 -5.626 7.164 1.00 0.16 C ATOM 129 CD1 LEU A 40 -4.121 -6.887 8.008 1.00 0.17 C ATOM 130 CD2 LEU A 40 -5.509 -4.935 7.298 1.00 0.21 C ATOM 0 H LEU A 40 -1.531 -5.234 5.689 1.00 0.13 H new ATOM 0 HA LEU A 40 -3.562 -3.285 6.037 1.00 0.14 H new ATOM 0 HB2 LEU A 40 -2.152 -5.266 7.823 1.00 0.15 H new ATOM 0 HB3 LEU A 40 -3.332 -4.142 8.470 1.00 0.15 H new ATOM 0 HG LEU A 40 -4.018 -5.907 6.121 1.00 0.16 H new ATOM 0 HD11 LEU A 40 -4.931 -7.552 7.707 1.00 0.17 H new ATOM 0 HD12 LEU A 40 -3.165 -7.391 7.865 1.00 0.17 H new ATOM 0 HD13 LEU A 40 -4.239 -6.625 9.059 1.00 0.17 H new ATOM 0 HD21 LEU A 40 -6.301 -5.624 7.007 1.00 0.21 H new ATOM 0 HD22 LEU A 40 -5.659 -4.627 8.333 1.00 0.21 H new ATOM 0 HD23 LEU A 40 -5.535 -4.058 6.651 1.00 0.21 H new ATOM 142 N ASP A 41 -0.661 -2.697 7.512 1.00 0.16 N ATOM 143 CA ASP A 41 0.147 -1.629 8.084 1.00 0.18 C ATOM 144 C ASP A 41 0.176 -0.442 7.128 1.00 0.18 C ATOM 145 O ASP A 41 0.227 0.714 7.550 1.00 0.20 O ATOM 146 CB ASP A 41 1.569 -2.119 8.361 1.00 0.18 C ATOM 147 CG ASP A 41 2.449 -1.035 8.955 1.00 0.20 C ATOM 148 OD1 ASP A 41 2.433 -0.869 10.192 1.00 0.24 O ATOM 149 OD2 ASP A 41 3.154 -0.352 8.181 1.00 0.21 O ATOM 0 H ASP A 41 -0.189 -3.599 7.445 1.00 0.16 H new ATOM 0 HA ASP A 41 -0.297 -1.319 9.030 1.00 0.18 H new ATOM 0 HB2 ASP A 41 1.531 -2.968 9.044 1.00 0.18 H new ATOM 0 HB3 ASP A 41 2.014 -2.477 7.433 1.00 0.18 H new ATOM 154 N SER A 42 0.143 -0.747 5.832 1.00 0.17 N ATOM 155 CA SER A 42 0.149 0.280 4.799 1.00 0.19 C ATOM 156 C SER A 42 -1.184 1.027 4.769 1.00 0.24 C ATOM 157 O SER A 42 -1.211 2.250 4.626 1.00 0.34 O ATOM 158 CB SER A 42 0.446 -0.343 3.432 1.00 0.21 C ATOM 159 OG SER A 42 1.706 -0.993 3.433 1.00 0.30 O ATOM 0 H SER A 42 0.112 -1.702 5.474 1.00 0.17 H new ATOM 0 HA SER A 42 0.935 0.998 5.033 1.00 0.19 H new ATOM 0 HB2 SER A 42 -0.336 -1.058 3.177 1.00 0.21 H new ATOM 0 HB3 SER A 42 0.433 0.431 2.665 1.00 0.21 H new ATOM 0 HG SER A 42 2.096 -0.952 2.535 1.00 0.30 H new ATOM 165 N THR A 43 -2.288 0.290 4.902 1.00 0.20 N ATOM 166 CA THR A 43 -3.613 0.903 4.901 1.00 0.25 C ATOM 167 C THR A 43 -3.777 1.834 6.097 1.00 0.26 C ATOM 168 O THR A 43 -4.466 2.850 6.018 1.00 0.28 O ATOM 169 CB THR A 43 -4.744 -0.145 4.950 1.00 0.33 C ATOM 170 OG1 THR A 43 -4.306 -1.319 5.633 1.00 0.42 O ATOM 171 CG2 THR A 43 -5.221 -0.513 3.556 1.00 0.38 C ATOM 0 H THR A 43 -2.290 -0.724 5.011 1.00 0.20 H new ATOM 0 HA THR A 43 -3.689 1.461 3.968 1.00 0.25 H new ATOM 0 HB THR A 43 -5.579 0.299 5.492 1.00 0.33 H new ATOM 0 HG1 THR A 43 -3.928 -1.070 6.502 1.00 0.42 H new ATOM 0 HG21 THR A 43 -6.018 -1.253 3.628 1.00 0.38 H new ATOM 0 HG22 THR A 43 -5.598 0.378 3.053 1.00 0.38 H new ATOM 0 HG23 THR A 43 -4.390 -0.928 2.985 1.00 0.38 H new ATOM 179 N GLU A 44 -3.140 1.472 7.207 1.00 0.25 N ATOM 180 CA GLU A 44 -3.211 2.258 8.430 1.00 0.27 C ATOM 181 C GLU A 44 -2.402 3.545 8.311 1.00 0.23 C ATOM 182 O GLU A 44 -2.924 4.634 8.535 1.00 0.21 O ATOM 183 CB GLU A 44 -2.701 1.434 9.608 1.00 0.31 C ATOM 184 CG GLU A 44 -3.373 1.776 10.920 1.00 0.65 C ATOM 185 CD GLU A 44 -2.827 0.972 12.084 1.00 0.79 C ATOM 186 OE1 GLU A 44 -3.283 -0.174 12.279 1.00 1.52 O ATOM 187 OE2 GLU A 44 -1.944 1.488 12.799 1.00 1.06 O ATOM 0 H GLU A 44 -2.565 0.633 7.282 1.00 0.25 H new ATOM 0 HA GLU A 44 -4.254 2.528 8.597 1.00 0.27 H new ATOM 0 HB2 GLU A 44 -2.855 0.376 9.395 1.00 0.31 H new ATOM 0 HB3 GLU A 44 -1.626 1.586 9.709 1.00 0.31 H new ATOM 0 HG2 GLU A 44 -3.242 2.839 11.124 1.00 0.65 H new ATOM 0 HG3 GLU A 44 -4.445 1.598 10.832 1.00 0.65 H new ATOM 194 N ALA A 45 -1.124 3.408 7.972 1.00 0.26 N ATOM 195 CA ALA A 45 -0.236 4.559 7.826 1.00 0.26 C ATOM 196 C ALA A 45 -0.888 5.660 6.995 1.00 0.23 C ATOM 197 O ALA A 45 -0.880 6.830 7.381 1.00 0.23 O ATOM 198 CB ALA A 45 1.079 4.129 7.192 1.00 0.28 C ATOM 0 H ALA A 45 -0.678 2.509 7.792 1.00 0.26 H new ATOM 0 HA ALA A 45 -0.039 4.961 8.820 1.00 0.26 H new ATOM 0 HB1 ALA A 45 1.733 4.995 7.088 1.00 0.28 H new ATOM 0 HB2 ALA A 45 1.561 3.384 7.825 1.00 0.28 H new ATOM 0 HB3 ALA A 45 0.886 3.700 6.209 1.00 0.28 H new ATOM 204 N LEU A 46 -1.462 5.279 5.859 1.00 0.22 N ATOM 205 CA LEU A 46 -2.123 6.245 4.993 1.00 0.21 C ATOM 206 C LEU A 46 -3.416 6.724 5.636 1.00 0.18 C ATOM 207 O LEU A 46 -3.757 7.901 5.553 1.00 0.16 O ATOM 208 CB LEU A 46 -2.388 5.652 3.606 1.00 0.23 C ATOM 209 CG LEU A 46 -3.408 4.517 3.555 1.00 0.23 C ATOM 210 CD1 LEU A 46 -4.811 5.070 3.370 1.00 0.21 C ATOM 211 CD2 LEU A 46 -3.064 3.550 2.437 1.00 0.30 C ATOM 0 H LEU A 46 -1.483 4.317 5.520 1.00 0.22 H new ATOM 0 HA LEU A 46 -1.461 7.101 4.863 1.00 0.21 H new ATOM 0 HB2 LEU A 46 -2.729 6.452 2.948 1.00 0.23 H new ATOM 0 HB3 LEU A 46 -1.444 5.286 3.201 1.00 0.23 H new ATOM 0 HG LEU A 46 -3.375 3.978 4.502 1.00 0.23 H new ATOM 0 HD11 LEU A 46 -5.525 4.247 3.336 1.00 0.21 H new ATOM 0 HD12 LEU A 46 -5.056 5.728 4.204 1.00 0.21 H new ATOM 0 HD13 LEU A 46 -4.860 5.632 2.437 1.00 0.21 H new ATOM 0 HD21 LEU A 46 -3.799 2.746 2.412 1.00 0.30 H new ATOM 0 HD22 LEU A 46 -3.072 4.078 1.484 1.00 0.30 H new ATOM 0 HD23 LEU A 46 -2.073 3.130 2.611 1.00 0.30 H new ATOM 223 N CYS A 47 -4.128 5.802 6.281 1.00 0.17 N ATOM 224 CA CYS A 47 -5.380 6.131 6.953 1.00 0.16 C ATOM 225 C CYS A 47 -5.173 7.283 7.928 1.00 0.16 C ATOM 226 O CYS A 47 -5.897 8.279 7.892 1.00 0.20 O ATOM 227 CB CYS A 47 -5.924 4.908 7.696 1.00 0.19 C ATOM 228 SG CYS A 47 -7.376 5.249 8.717 1.00 0.23 S ATOM 0 H CYS A 47 -3.858 4.821 6.352 1.00 0.17 H new ATOM 0 HA CYS A 47 -6.105 6.435 6.198 1.00 0.16 H new ATOM 0 HB2 CYS A 47 -6.178 4.138 6.968 1.00 0.19 H new ATOM 0 HB3 CYS A 47 -5.136 4.501 8.329 1.00 0.19 H new ATOM 0 HG CYS A 47 -7.762 4.154 9.302 1.00 0.23 H new ATOM 234 N LEU A 48 -4.181 7.137 8.802 1.00 0.17 N ATOM 235 CA LEU A 48 -3.864 8.168 9.779 1.00 0.18 C ATOM 236 C LEU A 48 -3.492 9.459 9.070 1.00 0.18 C ATOM 237 O LEU A 48 -3.792 10.550 9.551 1.00 0.23 O ATOM 238 CB LEU A 48 -2.726 7.710 10.693 1.00 0.21 C ATOM 239 CG LEU A 48 -3.165 6.910 11.925 1.00 0.23 C ATOM 240 CD1 LEU A 48 -4.206 5.866 11.546 1.00 1.20 C ATOM 241 CD2 LEU A 48 -1.964 6.252 12.586 1.00 1.14 C ATOM 0 H LEU A 48 -3.583 6.312 8.852 1.00 0.17 H new ATOM 0 HA LEU A 48 -4.744 8.348 10.396 1.00 0.18 H new ATOM 0 HB2 LEU A 48 -2.035 7.101 10.110 1.00 0.21 H new ATOM 0 HB3 LEU A 48 -2.173 8.588 11.027 1.00 0.21 H new ATOM 0 HG LEU A 48 -3.618 7.599 12.638 1.00 0.23 H new ATOM 0 HD11 LEU A 48 -4.504 5.310 12.435 1.00 1.20 H new ATOM 0 HD12 LEU A 48 -5.078 6.360 11.118 1.00 1.20 H new ATOM 0 HD13 LEU A 48 -3.783 5.179 10.813 1.00 1.20 H new ATOM 0 HD21 LEU A 48 -2.293 5.688 13.459 1.00 1.14 H new ATOM 0 HD22 LEU A 48 -1.483 5.577 11.878 1.00 1.14 H new ATOM 0 HD23 LEU A 48 -1.254 7.019 12.896 1.00 1.14 H new ATOM 253 N ALA A 49 -2.831 9.327 7.924 1.00 0.16 N ATOM 254 CA ALA A 49 -2.449 10.489 7.138 1.00 0.18 C ATOM 255 C ALA A 49 -3.692 11.264 6.729 1.00 0.18 C ATOM 256 O ALA A 49 -3.677 12.491 6.667 1.00 0.28 O ATOM 257 CB ALA A 49 -1.649 10.070 5.916 1.00 0.19 C ATOM 0 H ALA A 49 -2.551 8.432 7.523 1.00 0.16 H new ATOM 0 HA ALA A 49 -1.816 11.135 7.747 1.00 0.18 H new ATOM 0 HB1 ALA A 49 -1.373 10.954 5.341 1.00 0.19 H new ATOM 0 HB2 ALA A 49 -0.747 9.547 6.233 1.00 0.19 H new ATOM 0 HB3 ALA A 49 -2.253 9.408 5.295 1.00 0.19 H new ATOM 263 N ILE A 50 -4.774 10.535 6.454 1.00 0.12 N ATOM 264 CA ILE A 50 -6.032 11.168 6.081 1.00 0.14 C ATOM 265 C ILE A 50 -6.606 11.881 7.293 1.00 0.18 C ATOM 266 O ILE A 50 -7.142 12.985 7.193 1.00 0.21 O ATOM 267 CB ILE A 50 -7.082 10.162 5.562 1.00 0.14 C ATOM 268 CG1 ILE A 50 -6.426 9.013 4.796 1.00 0.15 C ATOM 269 CG2 ILE A 50 -8.073 10.882 4.666 1.00 0.17 C ATOM 270 CD1 ILE A 50 -7.398 7.932 4.373 1.00 0.18 C ATOM 0 H ILE A 50 -4.802 9.516 6.483 1.00 0.12 H new ATOM 0 HA ILE A 50 -5.813 11.864 5.271 1.00 0.14 H new ATOM 0 HB ILE A 50 -7.601 9.736 6.421 1.00 0.14 H new ATOM 0 HG12 ILE A 50 -5.933 9.413 3.910 1.00 0.15 H new ATOM 0 HG13 ILE A 50 -5.650 8.568 5.419 1.00 0.15 H new ATOM 0 HG21 ILE A 50 -8.814 10.172 4.299 1.00 0.17 H new ATOM 0 HG22 ILE A 50 -8.572 11.668 5.233 1.00 0.17 H new ATOM 0 HG23 ILE A 50 -7.545 11.324 3.821 1.00 0.17 H new ATOM 0 HD11 ILE A 50 -6.861 7.150 3.835 1.00 0.18 H new ATOM 0 HD12 ILE A 50 -7.873 7.504 5.256 1.00 0.18 H new ATOM 0 HD13 ILE A 50 -8.160 8.362 3.723 1.00 0.18 H new ATOM 282 N SER A 51 -6.482 11.225 8.442 1.00 0.25 N ATOM 283 CA SER A 51 -6.954 11.775 9.700 1.00 0.31 C ATOM 284 C SER A 51 -6.006 12.867 10.179 1.00 0.35 C ATOM 285 O SER A 51 -6.296 13.590 11.132 1.00 0.40 O ATOM 286 CB SER A 51 -7.071 10.672 10.748 1.00 0.35 C ATOM 287 OG SER A 51 -7.130 11.210 12.057 1.00 0.45 O ATOM 0 H SER A 51 -6.054 10.303 8.524 1.00 0.25 H new ATOM 0 HA SER A 51 -7.941 12.211 9.547 1.00 0.31 H new ATOM 0 HB2 SER A 51 -7.965 10.078 10.556 1.00 0.35 H new ATOM 0 HB3 SER A 51 -6.218 9.999 10.667 1.00 0.35 H new ATOM 0 HG SER A 51 -7.237 12.183 12.006 1.00 0.45 H new ATOM 293 N ARG A 52 -4.866 12.976 9.500 1.00 0.33 N ATOM 294 CA ARG A 52 -3.857 13.971 9.836 1.00 0.40 C ATOM 295 C ARG A 52 -4.237 15.340 9.274 1.00 0.41 C ATOM 296 O ARG A 52 -4.066 16.360 9.939 1.00 0.85 O ATOM 297 CB ARG A 52 -2.491 13.533 9.302 1.00 0.46 C ATOM 298 CG ARG A 52 -1.349 14.433 9.737 1.00 1.01 C ATOM 299 CD ARG A 52 -0.003 13.868 9.317 1.00 1.09 C ATOM 300 NE ARG A 52 1.105 14.707 9.764 1.00 1.61 N ATOM 301 CZ ARG A 52 2.385 14.361 9.656 1.00 1.97 C ATOM 302 NH1 ARG A 52 2.719 13.196 9.116 1.00 1.88 N ATOM 303 NH2 ARG A 52 3.333 15.181 10.089 1.00 2.91 N ATOM 0 H ARG A 52 -4.619 12.382 8.709 1.00 0.33 H new ATOM 0 HA ARG A 52 -3.801 14.055 10.921 1.00 0.40 H new ATOM 0 HB2 ARG A 52 -2.289 12.516 9.638 1.00 0.46 H new ATOM 0 HB3 ARG A 52 -2.528 13.508 8.213 1.00 0.46 H new ATOM 0 HG2 ARG A 52 -1.480 15.424 9.303 1.00 1.01 H new ATOM 0 HG3 ARG A 52 -1.372 14.554 10.820 1.00 1.01 H new ATOM 0 HD2 ARG A 52 0.113 12.865 9.727 1.00 1.09 H new ATOM 0 HD3 ARG A 52 0.028 13.774 8.232 1.00 1.09 H new ATOM 0 HE ARG A 52 0.885 15.610 10.183 1.00 1.61 H new ATOM 0 HH11 ARG A 52 1.993 12.562 8.782 1.00 1.88 H new ATOM 0 HH12 ARG A 52 3.702 12.934 9.035 1.00 1.88 H new ATOM 0 HH21 ARG A 52 3.081 16.077 10.505 1.00 2.91 H new ATOM 0 HH22 ARG A 52 4.314 14.915 10.006 1.00 2.91 H new ATOM 412 N HIS A 60 -3.426 15.059 1.435 1.00 0.54 N ATOM 413 CA HIS A 60 -3.493 15.006 -0.021 1.00 0.41 C ATOM 414 C HIS A 60 -2.178 14.507 -0.607 1.00 0.37 C ATOM 415 O HIS A 60 -2.153 13.922 -1.690 1.00 0.60 O ATOM 416 CB HIS A 60 -3.836 16.372 -0.609 1.00 0.56 C ATOM 417 CG HIS A 60 -3.912 16.349 -2.100 1.00 0.48 C ATOM 418 ND1 HIS A 60 -3.022 17.048 -2.876 1.00 1.10 N ATOM 419 CD2 HIS A 60 -4.764 15.668 -2.905 1.00 0.48 C ATOM 420 CE1 HIS A 60 -3.345 16.778 -4.126 1.00 1.30 C ATOM 421 NE2 HIS A 60 -4.397 15.947 -4.195 1.00 0.80 N ATOM 0 HA HIS A 60 -4.286 14.306 -0.286 1.00 0.41 H new ATOM 0 HB2 HIS A 60 -4.791 16.709 -0.205 1.00 0.56 H new ATOM 0 HB3 HIS A 60 -3.084 17.097 -0.298 1.00 0.56 H new ATOM 0 HD1 HIS A 60 -2.266 17.652 -2.553 1.00 1.10 H new ATOM 0 HD2 HIS A 60 -5.576 15.029 -2.590 1.00 0.48 H new ATOM 0 HE1 HIS A 60 -2.828 17.176 -4.987 1.00 1.30 H new ATOM 429 N SER A 61 -1.090 14.740 0.110 1.00 0.33 N ATOM 430 CA SER A 61 0.218 14.286 -0.328 1.00 0.40 C ATOM 431 C SER A 61 0.584 12.966 0.344 1.00 0.29 C ATOM 432 O SER A 61 1.246 12.116 -0.249 1.00 0.28 O ATOM 433 CB SER A 61 1.277 15.340 -0.008 1.00 0.58 C ATOM 434 OG SER A 61 1.554 15.378 1.382 1.00 1.58 O ATOM 0 H SER A 61 -1.088 15.241 0.998 1.00 0.33 H new ATOM 0 HA SER A 61 0.181 14.130 -1.406 1.00 0.40 H new ATOM 0 HB2 SER A 61 2.192 15.120 -0.559 1.00 0.58 H new ATOM 0 HB3 SER A 61 0.932 16.319 -0.340 1.00 0.58 H new ATOM 0 HG SER A 61 2.236 16.059 1.561 1.00 1.58 H new ATOM 440 N ALA A 62 0.139 12.804 1.589 1.00 0.26 N ATOM 441 CA ALA A 62 0.437 11.604 2.370 1.00 0.24 C ATOM 442 C ALA A 62 -0.482 10.420 2.046 1.00 0.19 C ATOM 443 O ALA A 62 0.005 9.346 1.712 1.00 0.21 O ATOM 444 CB ALA A 62 0.377 11.927 3.853 1.00 0.33 C ATOM 0 H ALA A 62 -0.432 13.492 2.080 1.00 0.26 H new ATOM 0 HA ALA A 62 1.444 11.292 2.094 1.00 0.24 H new ATOM 0 HB1 ALA A 62 0.600 11.030 4.430 1.00 0.33 H new ATOM 0 HB2 ALA A 62 1.109 12.700 4.087 1.00 0.33 H new ATOM 0 HB3 ALA A 62 -0.621 12.284 4.108 1.00 0.33 H new ATOM 450 N VAL A 63 -1.801 10.604 2.142 1.00 0.18 N ATOM 451 CA VAL A 63 -2.732 9.506 1.867 1.00 0.16 C ATOM 452 C VAL A 63 -2.651 9.079 0.403 1.00 0.15 C ATOM 453 O VAL A 63 -2.874 7.917 0.076 1.00 0.18 O ATOM 454 CB VAL A 63 -4.202 9.842 2.248 1.00 0.17 C ATOM 455 CG1 VAL A 63 -4.544 11.300 1.979 1.00 0.21 C ATOM 456 CG2 VAL A 63 -5.181 8.930 1.516 1.00 0.19 C ATOM 0 H VAL A 63 -2.243 11.486 2.403 1.00 0.18 H new ATOM 0 HA VAL A 63 -2.421 8.677 2.503 1.00 0.16 H new ATOM 0 HB VAL A 63 -4.295 9.670 3.320 1.00 0.17 H new ATOM 0 HG11 VAL A 63 -5.580 11.489 2.260 1.00 0.21 H new ATOM 0 HG12 VAL A 63 -3.886 11.942 2.565 1.00 0.21 H new ATOM 0 HG13 VAL A 63 -4.411 11.515 0.919 1.00 0.21 H new ATOM 0 HG21 VAL A 63 -6.201 9.187 1.801 1.00 0.19 H new ATOM 0 HG22 VAL A 63 -5.062 9.058 0.440 1.00 0.19 H new ATOM 0 HG23 VAL A 63 -4.981 7.892 1.783 1.00 0.19 H new ATOM 466 N LEU A 64 -2.368 10.031 -0.475 1.00 0.16 N ATOM 467 CA LEU A 64 -2.231 9.755 -1.905 1.00 0.18 C ATOM 468 C LEU A 64 -0.953 8.962 -2.196 1.00 0.20 C ATOM 469 O LEU A 64 -1.009 7.867 -2.754 1.00 0.24 O ATOM 470 CB LEU A 64 -2.205 11.075 -2.692 1.00 0.17 C ATOM 471 CG LEU A 64 -2.721 11.002 -4.136 1.00 0.17 C ATOM 472 CD1 LEU A 64 -1.766 10.208 -5.012 1.00 0.23 C ATOM 473 CD2 LEU A 64 -4.116 10.397 -4.182 1.00 0.24 C ATOM 0 H LEU A 64 -2.227 11.009 -0.223 1.00 0.16 H new ATOM 0 HA LEU A 64 -3.087 9.156 -2.216 1.00 0.18 H new ATOM 0 HB2 LEU A 64 -2.800 11.811 -2.150 1.00 0.17 H new ATOM 0 HB3 LEU A 64 -1.180 11.445 -2.711 1.00 0.17 H new ATOM 0 HG LEU A 64 -2.776 12.019 -4.525 1.00 0.17 H new ATOM 0 HD11 LEU A 64 -2.153 10.170 -6.030 1.00 0.23 H new ATOM 0 HD12 LEU A 64 -0.788 10.689 -5.013 1.00 0.23 H new ATOM 0 HD13 LEU A 64 -1.671 9.195 -4.622 1.00 0.23 H new ATOM 0 HD21 LEU A 64 -4.461 10.356 -5.215 1.00 0.24 H new ATOM 0 HD22 LEU A 64 -4.089 9.389 -3.768 1.00 0.24 H new ATOM 0 HD23 LEU A 64 -4.799 11.012 -3.596 1.00 0.24 H new ATOM 485 N GLU A 65 0.197 9.525 -1.818 1.00 0.19 N ATOM 486 CA GLU A 65 1.484 8.860 -2.035 1.00 0.22 C ATOM 487 C GLU A 65 1.504 7.505 -1.339 1.00 0.20 C ATOM 488 O GLU A 65 1.922 6.495 -1.911 1.00 0.21 O ATOM 489 CB GLU A 65 2.629 9.734 -1.516 1.00 0.23 C ATOM 490 CG GLU A 65 4.003 9.106 -1.688 1.00 0.32 C ATOM 491 CD GLU A 65 4.319 8.782 -3.135 1.00 1.32 C ATOM 492 OE1 GLU A 65 4.716 9.705 -3.877 1.00 2.32 O ATOM 493 OE2 GLU A 65 4.170 7.605 -3.525 1.00 1.65 O ATOM 0 H GLU A 65 0.264 10.435 -1.362 1.00 0.19 H new ATOM 0 HA GLU A 65 1.617 8.706 -3.106 1.00 0.22 H new ATOM 0 HB2 GLU A 65 2.609 10.691 -2.037 1.00 0.23 H new ATOM 0 HB3 GLU A 65 2.464 9.943 -0.459 1.00 0.23 H new ATOM 0 HG2 GLU A 65 4.761 9.786 -1.298 1.00 0.32 H new ATOM 0 HG3 GLU A 65 4.058 8.193 -1.095 1.00 0.32 H new ATOM 500 N ALA A 66 1.022 7.499 -0.107 1.00 0.18 N ATOM 501 CA ALA A 66 0.961 6.277 0.672 1.00 0.16 C ATOM 502 C ALA A 66 -0.114 5.388 0.081 1.00 0.22 C ATOM 503 O ALA A 66 -0.073 4.163 0.199 1.00 0.29 O ATOM 504 CB ALA A 66 0.672 6.571 2.136 1.00 0.16 C ATOM 0 H ALA A 66 0.668 8.326 0.373 1.00 0.18 H new ATOM 0 HA ALA A 66 1.926 5.772 0.632 1.00 0.16 H new ATOM 0 HB1 ALA A 66 0.632 5.636 2.694 1.00 0.16 H new ATOM 0 HB2 ALA A 66 1.461 7.203 2.543 1.00 0.16 H new ATOM 0 HB3 ALA A 66 -0.285 7.085 2.222 1.00 0.16 H new ATOM 510 N GLY A 67 -1.083 6.035 -0.563 1.00 0.29 N ATOM 511 CA GLY A 67 -2.173 5.331 -1.194 1.00 0.40 C ATOM 512 C GLY A 67 -1.708 4.441 -2.331 1.00 0.26 C ATOM 513 O GLY A 67 -2.111 3.282 -2.429 1.00 0.25 O ATOM 0 H GLY A 67 -1.126 7.050 -0.656 1.00 0.29 H new ATOM 0 HA2 GLY A 67 -2.689 4.725 -0.450 1.00 0.40 H new ATOM 0 HA3 GLY A 67 -2.896 6.053 -1.574 1.00 0.40 H new ATOM 517 N LYS A 68 -0.855 4.994 -3.193 1.00 0.21 N ATOM 518 CA LYS A 68 -0.327 4.257 -4.335 1.00 0.15 C ATOM 519 C LYS A 68 0.540 3.096 -3.875 1.00 0.16 C ATOM 520 O LYS A 68 0.455 1.992 -4.413 1.00 0.21 O ATOM 521 CB LYS A 68 0.492 5.178 -5.239 1.00 0.18 C ATOM 522 CG LYS A 68 -0.307 5.794 -6.374 1.00 0.66 C ATOM 523 CD LYS A 68 -1.295 6.826 -5.867 1.00 0.65 C ATOM 524 CE LYS A 68 -2.267 7.239 -6.956 1.00 0.73 C ATOM 525 NZ LYS A 68 -1.567 7.774 -8.155 1.00 0.83 N ATOM 0 H LYS A 68 -0.516 5.953 -3.119 1.00 0.21 H new ATOM 0 HA LYS A 68 -1.174 3.865 -4.898 1.00 0.15 H new ATOM 0 HB2 LYS A 68 0.921 5.977 -4.634 1.00 0.18 H new ATOM 0 HB3 LYS A 68 1.325 4.613 -5.658 1.00 0.18 H new ATOM 0 HG2 LYS A 68 0.373 6.260 -7.087 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -0.842 5.010 -6.910 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -1.846 6.419 -5.019 1.00 0.65 H new ATOM 0 HD3 LYS A 68 -0.756 7.702 -5.506 1.00 0.65 H new ATOM 0 HE2 LYS A 68 -2.875 6.381 -7.244 1.00 0.73 H new ATOM 0 HE3 LYS A 68 -2.948 7.996 -6.566 1.00 0.73 H new ATOM 0 HZ1 LYS A 68 -2.266 8.153 -8.825 1.00 0.83 H new ATOM 0 HZ2 LYS A 68 -0.916 8.533 -7.867 1.00 0.83 H new ATOM 0 HZ3 LYS A 68 -1.028 7.011 -8.612 1.00 0.83 H new ATOM 539 N ASN A 69 1.377 3.356 -2.874 1.00 0.16 N ATOM 540 CA ASN A 69 2.259 2.331 -2.340 1.00 0.19 C ATOM 541 C ASN A 69 1.457 1.134 -1.840 1.00 0.20 C ATOM 542 O ASN A 69 1.855 -0.013 -2.033 1.00 0.23 O ATOM 543 CB ASN A 69 3.110 2.902 -1.204 1.00 0.21 C ATOM 544 CG ASN A 69 4.385 3.554 -1.704 1.00 0.25 C ATOM 545 OD1 ASN A 69 5.418 2.898 -1.843 1.00 0.53 O ATOM 546 ND2 ASN A 69 4.321 4.851 -1.975 1.00 0.30 N ATOM 0 H ASN A 69 1.460 4.266 -2.420 1.00 0.16 H new ATOM 0 HA ASN A 69 2.917 1.996 -3.142 1.00 0.19 H new ATOM 0 HB2 ASN A 69 2.525 3.635 -0.649 1.00 0.21 H new ATOM 0 HB3 ASN A 69 3.363 2.103 -0.507 1.00 0.21 H new ATOM 0 HD21 ASN A 69 5.148 5.343 -2.313 1.00 0.30 H new ATOM 0 HD22 ASN A 69 3.444 5.356 -1.846 1.00 0.30 H new ATOM 553 N LEU A 70 0.317 1.412 -1.216 1.00 0.20 N ATOM 554 CA LEU A 70 -0.544 0.360 -0.686 1.00 0.21 C ATOM 555 C LEU A 70 -1.143 -0.481 -1.804 1.00 0.19 C ATOM 556 O LEU A 70 -1.077 -1.710 -1.769 1.00 0.21 O ATOM 557 CB LEU A 70 -1.677 0.975 0.117 1.00 0.24 C ATOM 558 CG LEU A 70 -2.780 0.001 0.524 1.00 0.28 C ATOM 559 CD1 LEU A 70 -2.378 -0.770 1.765 1.00 1.00 C ATOM 560 CD2 LEU A 70 -4.092 0.737 0.741 1.00 1.41 C ATOM 0 H LEU A 70 -0.033 2.358 -1.065 1.00 0.20 H new ATOM 0 HA LEU A 70 0.069 -0.280 -0.051 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -1.261 1.427 1.018 1.00 0.24 H new ATOM 0 HB3 LEU A 70 -2.121 1.781 -0.468 1.00 0.24 H new ATOM 0 HG LEU A 70 -2.925 -0.714 -0.286 1.00 0.28 H new ATOM 0 HD11 LEU A 70 -3.177 -1.459 2.040 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -1.466 -1.333 1.564 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -2.202 -0.074 2.585 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -4.865 0.025 1.030 1.00 1.41 H new ATOM 0 HD22 LEU A 70 -3.967 1.478 1.531 1.00 1.41 H new ATOM 0 HD23 LEU A 70 -4.386 1.236 -0.182 1.00 1.41 H new ATOM 572 N TYR A 71 -1.735 0.186 -2.793 1.00 0.15 N ATOM 573 CA TYR A 71 -2.335 -0.519 -3.918 1.00 0.14 C ATOM 574 C TYR A 71 -1.296 -1.431 -4.543 1.00 0.14 C ATOM 575 O TYR A 71 -1.598 -2.539 -4.995 1.00 0.16 O ATOM 576 CB TYR A 71 -2.871 0.471 -4.962 1.00 0.14 C ATOM 577 CG TYR A 71 -3.061 -0.139 -6.333 1.00 0.13 C ATOM 578 CD1 TYR A 71 -4.230 -0.814 -6.663 1.00 0.75 C ATOM 579 CD2 TYR A 71 -2.067 -0.039 -7.295 1.00 0.71 C ATOM 580 CE1 TYR A 71 -4.403 -1.371 -7.916 1.00 0.75 C ATOM 581 CE2 TYR A 71 -2.231 -0.591 -8.551 1.00 0.72 C ATOM 582 CZ TYR A 71 -3.420 -1.261 -8.852 1.00 0.16 C ATOM 583 OH TYR A 71 -3.567 -1.810 -10.106 1.00 0.19 O ATOM 0 H TYR A 71 -1.811 1.202 -2.837 1.00 0.15 H new ATOM 0 HA TYR A 71 -3.176 -1.112 -3.558 1.00 0.14 H new ATOM 0 HB2 TYR A 71 -3.824 0.870 -4.616 1.00 0.14 H new ATOM 0 HB3 TYR A 71 -2.182 1.312 -5.040 1.00 0.14 H new ATOM 0 HD1 TYR A 71 -5.016 -0.905 -5.928 1.00 0.75 H new ATOM 0 HD2 TYR A 71 -1.149 0.479 -7.058 1.00 0.71 H new ATOM 0 HE1 TYR A 71 -5.318 -1.894 -8.153 1.00 0.75 H new ATOM 0 HE2 TYR A 71 -1.449 -0.506 -9.292 1.00 0.72 H new ATOM 0 HH TYR A 71 -2.764 -1.630 -10.638 1.00 0.19 H new ATOM 593 N SER A 72 -0.061 -0.953 -4.546 1.00 0.14 N ATOM 594 CA SER A 72 1.041 -1.698 -5.113 1.00 0.17 C ATOM 595 C SER A 72 1.348 -2.955 -4.310 1.00 0.13 C ATOM 596 O SER A 72 1.606 -4.004 -4.901 1.00 0.32 O ATOM 597 CB SER A 72 2.282 -0.821 -5.225 1.00 0.29 C ATOM 598 OG SER A 72 3.438 -1.600 -5.480 1.00 1.13 O ATOM 0 H SER A 72 0.199 -0.046 -4.158 1.00 0.14 H new ATOM 0 HA SER A 72 0.741 -2.012 -6.113 1.00 0.17 H new ATOM 0 HB2 SER A 72 2.146 -0.094 -6.026 1.00 0.29 H new ATOM 0 HB3 SER A 72 2.417 -0.257 -4.302 1.00 0.29 H new ATOM 0 HG SER A 72 4.220 -1.013 -5.549 1.00 1.13 H new ATOM 604 N PHE A 73 1.335 -2.884 -2.971 1.00 0.20 N ATOM 605 CA PHE A 73 1.631 -4.072 -2.176 1.00 0.17 C ATOM 606 C PHE A 73 0.534 -5.108 -2.341 1.00 0.13 C ATOM 607 O PHE A 73 0.807 -6.297 -2.498 1.00 0.15 O ATOM 608 CB PHE A 73 1.781 -3.709 -0.695 1.00 0.24 C ATOM 609 CG PHE A 73 2.706 -2.551 -0.439 1.00 0.24 C ATOM 610 CD1 PHE A 73 3.927 -2.475 -1.086 1.00 0.27 C ATOM 611 CD2 PHE A 73 2.356 -1.542 0.446 1.00 0.23 C ATOM 612 CE1 PHE A 73 4.785 -1.415 -0.856 1.00 0.28 C ATOM 613 CE2 PHE A 73 3.209 -0.480 0.681 1.00 0.23 C ATOM 614 CZ PHE A 73 4.404 -0.403 0.042 1.00 0.26 C ATOM 0 H PHE A 73 1.129 -2.042 -2.434 1.00 0.20 H new ATOM 0 HA PHE A 73 2.572 -4.491 -2.532 1.00 0.17 H new ATOM 0 HB2 PHE A 73 0.798 -3.472 -0.288 1.00 0.24 H new ATOM 0 HB3 PHE A 73 2.148 -4.581 -0.153 1.00 0.24 H new ATOM 0 HD1 PHE A 73 4.213 -3.253 -1.779 1.00 0.27 H new ATOM 0 HD2 PHE A 73 1.406 -1.587 0.957 1.00 0.23 H new ATOM 0 HE1 PHE A 73 5.738 -1.365 -1.361 1.00 0.28 H new ATOM 0 HE2 PHE A 73 2.923 0.294 1.378 1.00 0.23 H new ATOM 0 HZ PHE A 73 5.061 0.435 0.223 1.00 0.26 H new ATOM 624 N CYS A 74 -0.709 -4.645 -2.309 1.00 0.15 N ATOM 625 CA CYS A 74 -1.850 -5.521 -2.478 1.00 0.20 C ATOM 626 C CYS A 74 -1.818 -6.157 -3.865 1.00 0.16 C ATOM 627 O CYS A 74 -2.403 -7.215 -4.091 1.00 0.27 O ATOM 628 CB CYS A 74 -3.140 -4.722 -2.301 1.00 0.31 C ATOM 629 SG CYS A 74 -3.894 -4.878 -0.666 1.00 0.90 S ATOM 0 H CYS A 74 -0.948 -3.664 -2.167 1.00 0.15 H new ATOM 0 HA CYS A 74 -1.810 -6.310 -1.727 1.00 0.20 H new ATOM 0 HB2 CYS A 74 -2.931 -3.670 -2.493 1.00 0.31 H new ATOM 0 HB3 CYS A 74 -3.860 -5.046 -3.053 1.00 0.31 H new ATOM 0 HG CYS A 74 -4.758 -5.849 -0.678 1.00 0.90 H new ATOM 635 N VAL A 75 -1.119 -5.495 -4.785 1.00 0.25 N ATOM 636 CA VAL A 75 -0.989 -5.962 -6.155 1.00 0.28 C ATOM 637 C VAL A 75 -0.014 -7.140 -6.244 1.00 0.27 C ATOM 638 O VAL A 75 -0.290 -8.138 -6.909 1.00 0.29 O ATOM 639 CB VAL A 75 -0.506 -4.793 -7.050 1.00 0.37 C ATOM 640 CG1 VAL A 75 0.711 -5.178 -7.870 1.00 0.38 C ATOM 641 CG2 VAL A 75 -1.623 -4.290 -7.947 1.00 0.43 C ATOM 0 H VAL A 75 -0.629 -4.621 -4.597 1.00 0.25 H new ATOM 0 HA VAL A 75 -1.962 -6.309 -6.503 1.00 0.28 H new ATOM 0 HB VAL A 75 -0.212 -3.981 -6.386 1.00 0.37 H new ATOM 0 HG11 VAL A 75 1.019 -4.332 -8.484 1.00 0.38 H new ATOM 0 HG12 VAL A 75 1.526 -5.457 -7.202 1.00 0.38 H new ATOM 0 HG13 VAL A 75 0.464 -6.022 -8.514 1.00 0.38 H new ATOM 0 HG21 VAL A 75 -1.254 -3.470 -8.563 1.00 0.43 H new ATOM 0 HG22 VAL A 75 -1.966 -5.101 -8.590 1.00 0.43 H new ATOM 0 HG23 VAL A 75 -2.452 -3.938 -7.333 1.00 0.43 H new ATOM 651 N SER A 76 1.131 -7.010 -5.581 1.00 0.27 N ATOM 652 CA SER A 76 2.140 -8.065 -5.583 1.00 0.28 C ATOM 653 C SER A 76 1.823 -9.114 -4.525 1.00 0.23 C ATOM 654 O SER A 76 2.519 -10.122 -4.404 1.00 0.26 O ATOM 655 CB SER A 76 3.528 -7.474 -5.332 1.00 0.32 C ATOM 656 OG SER A 76 3.868 -6.525 -6.327 1.00 0.90 O ATOM 0 H SER A 76 1.384 -6.186 -5.036 1.00 0.27 H new ATOM 0 HA SER A 76 2.131 -8.544 -6.562 1.00 0.28 H new ATOM 0 HB2 SER A 76 3.552 -7.000 -4.351 1.00 0.32 H new ATOM 0 HB3 SER A 76 4.269 -8.273 -5.319 1.00 0.32 H new ATOM 0 HG SER A 76 4.759 -6.162 -6.142 1.00 0.90 H new ATOM 662 N TYR A 77 0.765 -8.865 -3.763 1.00 0.18 N ATOM 663 CA TYR A 77 0.345 -9.774 -2.705 1.00 0.16 C ATOM 664 C TYR A 77 -0.763 -10.716 -3.187 1.00 0.17 C ATOM 665 O TYR A 77 -0.851 -11.860 -2.742 1.00 0.20 O ATOM 666 CB TYR A 77 -0.107 -8.956 -1.490 1.00 0.16 C ATOM 667 CG TYR A 77 -1.165 -9.614 -0.642 1.00 0.15 C ATOM 668 CD1 TYR A 77 -0.825 -10.614 0.255 1.00 0.17 C ATOM 669 CD2 TYR A 77 -2.499 -9.243 -0.742 1.00 0.20 C ATOM 670 CE1 TYR A 77 -1.782 -11.229 1.031 1.00 0.19 C ATOM 671 CE2 TYR A 77 -3.464 -9.853 0.033 1.00 0.22 C ATOM 672 CZ TYR A 77 -3.124 -10.807 0.921 1.00 0.21 C ATOM 673 OH TYR A 77 -4.061 -11.454 1.694 1.00 0.25 O ATOM 0 H TYR A 77 0.179 -8.036 -3.860 1.00 0.18 H new ATOM 0 HA TYR A 77 1.189 -10.402 -2.418 1.00 0.16 H new ATOM 0 HB2 TYR A 77 0.762 -8.749 -0.866 1.00 0.16 H new ATOM 0 HB3 TYR A 77 -0.486 -7.995 -1.838 1.00 0.16 H new ATOM 0 HD1 TYR A 77 0.208 -10.916 0.347 1.00 0.17 H new ATOM 0 HD2 TYR A 77 -2.785 -8.466 -1.436 1.00 0.20 H new ATOM 0 HE1 TYR A 77 -1.510 -12.021 1.713 1.00 0.19 H new ATOM 0 HE2 TYR A 77 -4.499 -9.564 -0.073 1.00 0.22 H new ATOM 0 HH TYR A 77 -3.608 -11.970 2.393 1.00 0.25 H new ATOM 683 N VAL A 78 -1.606 -10.230 -4.098 1.00 0.19 N ATOM 684 CA VAL A 78 -2.696 -11.037 -4.644 1.00 0.25 C ATOM 685 C VAL A 78 -2.173 -12.180 -5.506 1.00 0.27 C ATOM 686 O VAL A 78 -2.938 -13.025 -5.973 1.00 0.25 O ATOM 687 CB VAL A 78 -3.672 -10.187 -5.475 1.00 0.33 C ATOM 688 CG1 VAL A 78 -4.629 -9.448 -4.563 1.00 0.98 C ATOM 689 CG2 VAL A 78 -2.926 -9.220 -6.381 1.00 0.72 C ATOM 0 H VAL A 78 -1.555 -9.283 -4.473 1.00 0.19 H new ATOM 0 HA VAL A 78 -3.227 -11.452 -3.787 1.00 0.25 H new ATOM 0 HB VAL A 78 -4.249 -10.855 -6.114 1.00 0.33 H new ATOM 0 HG11 VAL A 78 -5.315 -8.850 -5.163 1.00 0.98 H new ATOM 0 HG12 VAL A 78 -5.196 -10.167 -3.972 1.00 0.98 H new ATOM 0 HG13 VAL A 78 -4.065 -8.795 -3.897 1.00 0.98 H new ATOM 0 HG21 VAL A 78 -3.643 -8.633 -6.956 1.00 0.72 H new ATOM 0 HG22 VAL A 78 -2.314 -8.552 -5.775 1.00 0.72 H new ATOM 0 HG23 VAL A 78 -2.286 -9.780 -7.063 1.00 0.72 H new ATOM 699 N ASP A 79 -0.870 -12.193 -5.727 1.00 0.36 N ATOM 700 CA ASP A 79 -0.235 -13.241 -6.515 1.00 0.41 C ATOM 701 C ASP A 79 -0.046 -14.494 -5.665 1.00 0.43 C ATOM 702 O ASP A 79 0.606 -15.452 -6.081 1.00 0.51 O ATOM 703 CB ASP A 79 1.114 -12.758 -7.055 1.00 0.48 C ATOM 704 CG ASP A 79 1.741 -13.745 -8.021 1.00 0.68 C ATOM 705 OD1 ASP A 79 1.324 -13.770 -9.198 1.00 1.31 O ATOM 706 OD2 ASP A 79 2.652 -14.490 -7.601 1.00 0.93 O ATOM 0 H ASP A 79 -0.226 -11.487 -5.371 1.00 0.36 H new ATOM 0 HA ASP A 79 -0.880 -13.483 -7.360 1.00 0.41 H new ATOM 0 HB2 ASP A 79 0.979 -11.800 -7.557 1.00 0.48 H new ATOM 0 HB3 ASP A 79 1.795 -12.588 -6.221 1.00 0.48 H new ATOM 711 N SER A 80 -0.629 -14.477 -4.468 1.00 0.41 N ATOM 712 CA SER A 80 -0.522 -15.602 -3.547 1.00 0.46 C ATOM 713 C SER A 80 -1.899 -16.051 -3.068 1.00 0.42 C ATOM 714 O SER A 80 -2.016 -17.042 -2.347 1.00 0.46 O ATOM 715 CB SER A 80 0.349 -15.222 -2.349 1.00 0.52 C ATOM 716 OG SER A 80 0.469 -16.304 -1.442 1.00 1.49 O ATOM 0 H SER A 80 -1.180 -13.695 -4.115 1.00 0.41 H new ATOM 0 HA SER A 80 -0.057 -16.432 -4.079 1.00 0.46 H new ATOM 0 HB2 SER A 80 1.338 -14.922 -2.695 1.00 0.52 H new ATOM 0 HB3 SER A 80 -0.084 -14.362 -1.839 1.00 0.52 H new ATOM 0 HG SER A 80 -0.362 -16.824 -1.441 1.00 1.49 H new ATOM 722 N ILE A 81 -2.930 -15.303 -3.465 1.00 0.38 N ATOM 723 CA ILE A 81 -4.310 -15.605 -3.097 1.00 0.38 C ATOM 724 C ILE A 81 -4.556 -17.102 -2.941 1.00 0.51 C ATOM 725 O ILE A 81 -4.843 -17.574 -1.843 1.00 1.39 O ATOM 726 CB ILE A 81 -5.270 -15.014 -4.139 1.00 0.29 C ATOM 727 CG1 ILE A 81 -5.168 -13.483 -4.132 1.00 0.33 C ATOM 728 CG2 ILE A 81 -6.698 -15.471 -3.886 1.00 0.40 C ATOM 729 CD1 ILE A 81 -5.708 -12.818 -2.884 1.00 0.56 C ATOM 0 H ILE A 81 -2.830 -14.473 -4.049 1.00 0.38 H new ATOM 0 HA ILE A 81 -4.496 -15.148 -2.125 1.00 0.38 H new ATOM 0 HB ILE A 81 -4.983 -15.377 -5.126 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -4.122 -13.202 -4.253 1.00 0.33 H new ATOM 0 HG13 ILE A 81 -5.705 -13.093 -4.996 1.00 0.33 H new ATOM 0 HG21 ILE A 81 -7.357 -15.038 -4.638 1.00 0.40 H new ATOM 0 HG22 ILE A 81 -6.747 -16.558 -3.943 1.00 0.40 H new ATOM 0 HG23 ILE A 81 -7.014 -15.145 -2.895 1.00 0.40 H new ATOM 0 HD11 ILE A 81 -5.594 -11.737 -2.969 1.00 0.56 H new ATOM 0 HD12 ILE A 81 -6.764 -13.063 -2.769 1.00 0.56 H new ATOM 0 HD13 ILE A 81 -5.156 -13.174 -2.014 1.00 0.56 H new ATOM 741 N GLN A 82 -4.453 -17.825 -4.047 1.00 0.92 N ATOM 742 CA GLN A 82 -4.622 -19.284 -4.081 1.00 0.92 C ATOM 743 C GLN A 82 -6.089 -19.725 -4.025 1.00 0.93 C ATOM 744 O GLN A 82 -6.482 -20.630 -4.755 1.00 1.11 O ATOM 745 CB GLN A 82 -3.794 -19.963 -2.977 1.00 0.98 C ATOM 746 CG GLN A 82 -4.608 -20.410 -1.782 1.00 1.54 C ATOM 747 CD GLN A 82 -5.086 -21.847 -1.888 1.00 1.78 C ATOM 748 OE1 GLN A 82 -6.313 -22.032 -2.366 1.00 2.55 O flip ATOM 749 NE2 GLN A 82 -4.366 -22.780 -1.531 1.00 1.43 N flip ATOM 0 H GLN A 82 -4.248 -17.418 -4.959 1.00 0.92 H new ATOM 0 HA GLN A 82 -4.244 -19.613 -5.049 1.00 0.92 H new ATOM 0 HB2 GLN A 82 -3.284 -20.828 -3.400 1.00 0.98 H new ATOM 0 HB3 GLN A 82 -3.022 -19.272 -2.639 1.00 0.98 H new ATOM 0 HG2 GLN A 82 -4.007 -20.299 -0.879 1.00 1.54 H new ATOM 0 HG3 GLN A 82 -5.471 -19.754 -1.673 1.00 1.54 H new ATOM 0 HE21 GLN A 82 -3.431 -22.593 -1.170 1.00 1.43 H new ATOM 0 HE22 GLN A 82 -4.705 -23.740 -1.596 1.00 1.43 H new ATOM 758 N GLN A 83 -6.885 -19.114 -3.153 1.00 0.85 N ATOM 759 CA GLN A 83 -8.288 -19.472 -3.011 1.00 0.93 C ATOM 760 C GLN A 83 -9.038 -19.511 -4.353 1.00 0.96 C ATOM 761 O GLN A 83 -10.030 -20.229 -4.486 1.00 1.85 O ATOM 762 CB GLN A 83 -8.944 -18.526 -2.017 1.00 0.93 C ATOM 763 CG GLN A 83 -8.627 -18.883 -0.576 1.00 1.39 C ATOM 764 CD GLN A 83 -9.838 -18.824 0.337 1.00 2.06 C ATOM 765 OE1 GLN A 83 -10.746 -17.896 0.064 1.00 2.56 O flip ATOM 766 NE2 GLN A 83 -9.948 -19.598 1.287 1.00 2.55 N flip ATOM 0 H GLN A 83 -6.578 -18.365 -2.532 1.00 0.85 H new ATOM 0 HA GLN A 83 -8.343 -20.491 -2.628 1.00 0.93 H new ATOM 0 HB2 GLN A 83 -8.612 -17.507 -2.217 1.00 0.93 H new ATOM 0 HB3 GLN A 83 -10.024 -18.543 -2.163 1.00 0.93 H new ATOM 0 HG2 GLN A 83 -8.204 -19.887 -0.542 1.00 1.39 H new ATOM 0 HG3 GLN A 83 -7.863 -18.202 -0.200 1.00 1.39 H new ATOM 0 HE21 GLN A 83 -9.226 -20.297 1.461 1.00 2.55 H new ATOM 0 HE22 GLN A 83 -10.761 -19.540 1.900 1.00 2.55 H new ATOM 775 N MET A 84 -8.563 -18.743 -5.334 1.00 0.95 N ATOM 776 CA MET A 84 -9.152 -18.722 -6.687 1.00 0.91 C ATOM 777 C MET A 84 -10.485 -17.972 -6.774 1.00 0.86 C ATOM 778 O MET A 84 -10.517 -16.787 -7.104 1.00 0.93 O ATOM 779 CB MET A 84 -9.344 -20.147 -7.219 1.00 1.14 C ATOM 780 CG MET A 84 -8.143 -21.044 -7.007 1.00 1.34 C ATOM 781 SD MET A 84 -8.125 -22.467 -8.113 1.00 1.97 S ATOM 782 CE MET A 84 -9.559 -23.368 -7.528 1.00 2.71 C ATOM 0 H MET A 84 -7.764 -18.119 -5.221 1.00 0.95 H new ATOM 0 HA MET A 84 -8.436 -18.177 -7.303 1.00 0.91 H new ATOM 0 HB2 MET A 84 -10.210 -20.594 -6.731 1.00 1.14 H new ATOM 0 HB3 MET A 84 -9.567 -20.100 -8.285 1.00 1.14 H new ATOM 0 HG2 MET A 84 -7.232 -20.464 -7.155 1.00 1.34 H new ATOM 0 HG3 MET A 84 -8.134 -21.393 -5.974 1.00 1.34 H new ATOM 0 HE1 MET A 84 -9.671 -24.287 -8.104 1.00 2.71 H new ATOM 0 HE2 MET A 84 -9.429 -23.614 -6.474 1.00 2.71 H new ATOM 0 HE3 MET A 84 -10.450 -22.752 -7.650 1.00 2.71 H new ATOM 792 N ARG A 85 -11.588 -18.675 -6.506 1.00 0.91 N ATOM 793 CA ARG A 85 -12.928 -18.079 -6.584 1.00 0.92 C ATOM 794 C ARG A 85 -13.118 -16.978 -5.544 1.00 0.87 C ATOM 795 O ARG A 85 -14.215 -16.443 -5.381 1.00 1.16 O ATOM 796 CB ARG A 85 -13.995 -19.159 -6.399 1.00 1.03 C ATOM 797 CG ARG A 85 -13.932 -19.852 -5.049 1.00 1.44 C ATOM 798 CD ARG A 85 -14.990 -20.937 -4.930 1.00 1.51 C ATOM 799 NE ARG A 85 -16.341 -20.406 -5.095 1.00 1.72 N ATOM 800 CZ ARG A 85 -17.443 -21.125 -4.909 1.00 1.89 C ATOM 801 NH1 ARG A 85 -17.354 -22.399 -4.552 1.00 1.65 N ATOM 802 NH2 ARG A 85 -18.635 -20.568 -5.080 1.00 2.78 N ATOM 0 H ARG A 85 -11.582 -19.658 -6.233 1.00 0.91 H new ATOM 0 HA ARG A 85 -13.032 -17.628 -7.571 1.00 0.92 H new ATOM 0 HB2 ARG A 85 -14.980 -18.709 -6.521 1.00 1.03 H new ATOM 0 HB3 ARG A 85 -13.885 -19.905 -7.186 1.00 1.03 H new ATOM 0 HG2 ARG A 85 -12.943 -20.289 -4.909 1.00 1.44 H new ATOM 0 HG3 ARG A 85 -14.071 -19.118 -4.255 1.00 1.44 H new ATOM 0 HD2 ARG A 85 -14.808 -21.705 -5.682 1.00 1.51 H new ATOM 0 HD3 ARG A 85 -14.907 -21.419 -3.956 1.00 1.51 H new ATOM 0 HE ARG A 85 -16.444 -19.429 -5.368 1.00 1.72 H new ATOM 0 HH11 ARG A 85 -16.438 -22.829 -4.420 1.00 1.65 H new ATOM 0 HH12 ARG A 85 -18.201 -22.949 -4.410 1.00 1.65 H new ATOM 0 HH21 ARG A 85 -18.705 -19.588 -5.354 1.00 2.78 H new ATOM 0 HH22 ARG A 85 -19.481 -21.120 -4.937 1.00 2.78 H new ATOM 816 N ASN A 86 -12.042 -16.652 -4.851 1.00 0.63 N ATOM 817 CA ASN A 86 -12.056 -15.628 -3.822 1.00 0.62 C ATOM 818 C ASN A 86 -11.086 -14.518 -4.200 1.00 0.53 C ATOM 819 O ASN A 86 -11.080 -13.438 -3.607 1.00 0.53 O ATOM 820 CB ASN A 86 -11.679 -16.273 -2.489 1.00 0.78 C ATOM 821 CG ASN A 86 -12.140 -17.719 -2.431 1.00 1.65 C ATOM 822 OD1 ASN A 86 -11.612 -18.538 -3.341 1.00 2.49 O flip ATOM 823 ND2 ASN A 86 -12.957 -18.094 -1.589 1.00 1.68 N flip ATOM 0 H ASN A 86 -11.131 -17.091 -4.986 1.00 0.63 H new ATOM 0 HA ASN A 86 -13.048 -15.186 -3.728 1.00 0.62 H new ATOM 0 HB2 ASN A 86 -10.599 -16.227 -2.352 1.00 0.78 H new ATOM 0 HB3 ASN A 86 -12.129 -15.712 -1.670 1.00 0.78 H new ATOM 0 HD21 ASN A 86 -13.333 -17.430 -0.912 1.00 1.68 H new ATOM 0 HD22 ASN A 86 -13.257 -19.069 -1.568 1.00 1.68 H new ATOM 830 N LYS A 87 -10.263 -14.815 -5.200 1.00 0.53 N ATOM 831 CA LYS A 87 -9.286 -13.884 -5.726 1.00 0.56 C ATOM 832 C LYS A 87 -9.962 -12.609 -6.210 1.00 0.45 C ATOM 833 O LYS A 87 -9.541 -11.506 -5.878 1.00 0.40 O ATOM 834 CB LYS A 87 -8.569 -14.562 -6.888 1.00 0.71 C ATOM 835 CG LYS A 87 -7.118 -14.169 -7.038 1.00 1.06 C ATOM 836 CD LYS A 87 -6.278 -15.365 -7.419 1.00 1.59 C ATOM 837 CE LYS A 87 -6.340 -15.638 -8.913 1.00 1.84 C ATOM 838 NZ LYS A 87 -5.841 -14.484 -9.710 1.00 2.28 N ATOM 0 H LYS A 87 -10.260 -15.720 -5.670 1.00 0.53 H new ATOM 0 HA LYS A 87 -8.578 -13.611 -4.943 1.00 0.56 H new ATOM 0 HB2 LYS A 87 -8.629 -15.642 -6.756 1.00 0.71 H new ATOM 0 HB3 LYS A 87 -9.095 -14.324 -7.813 1.00 0.71 H new ATOM 0 HG2 LYS A 87 -7.023 -13.394 -7.799 1.00 1.06 H new ATOM 0 HG3 LYS A 87 -6.752 -13.745 -6.103 1.00 1.06 H new ATOM 0 HD2 LYS A 87 -5.243 -15.193 -7.122 1.00 1.59 H new ATOM 0 HD3 LYS A 87 -6.624 -16.243 -6.873 1.00 1.59 H new ATOM 0 HE2 LYS A 87 -5.747 -16.523 -9.145 1.00 1.84 H new ATOM 0 HE3 LYS A 87 -7.368 -15.859 -9.199 1.00 1.84 H new ATOM 0 HZ1 LYS A 87 -5.579 -14.808 -10.663 1.00 2.28 H new ATOM 0 HZ2 LYS A 87 -6.587 -13.763 -9.782 1.00 2.28 H new ATOM 0 HZ3 LYS A 87 -5.007 -14.074 -9.243 1.00 2.28 H new ATOM 852 N PHE A 88 -11.030 -12.785 -6.977 1.00 0.43 N ATOM 853 CA PHE A 88 -11.776 -11.659 -7.529 1.00 0.38 C ATOM 854 C PHE A 88 -12.237 -10.720 -6.419 1.00 0.31 C ATOM 855 O PHE A 88 -12.096 -9.504 -6.528 1.00 0.29 O ATOM 856 CB PHE A 88 -12.985 -12.158 -8.324 1.00 0.41 C ATOM 857 CG PHE A 88 -12.619 -12.979 -9.529 1.00 1.01 C ATOM 858 CD1 PHE A 88 -12.266 -14.311 -9.395 1.00 1.34 C ATOM 859 CD2 PHE A 88 -12.624 -12.414 -10.795 1.00 1.44 C ATOM 860 CE1 PHE A 88 -11.925 -15.068 -10.501 1.00 2.07 C ATOM 861 CE2 PHE A 88 -12.283 -13.166 -11.905 1.00 2.19 C ATOM 862 CZ PHE A 88 -11.953 -14.498 -11.760 1.00 2.49 C ATOM 0 H PHE A 88 -11.401 -13.700 -7.232 1.00 0.43 H new ATOM 0 HA PHE A 88 -11.114 -11.109 -8.198 1.00 0.38 H new ATOM 0 HB2 PHE A 88 -13.619 -12.754 -7.668 1.00 0.41 H new ATOM 0 HB3 PHE A 88 -13.576 -11.301 -8.645 1.00 0.41 H new ATOM 0 HD1 PHE A 88 -12.257 -14.764 -8.415 1.00 1.34 H new ATOM 0 HD2 PHE A 88 -12.897 -11.376 -10.916 1.00 1.44 H new ATOM 0 HE1 PHE A 88 -11.637 -16.102 -10.381 1.00 2.07 H new ATOM 0 HE2 PHE A 88 -12.275 -12.711 -12.884 1.00 2.19 H new ATOM 0 HZ PHE A 88 -11.717 -15.094 -12.629 1.00 2.49 H new ATOM 872 N ALA A 89 -12.787 -11.297 -5.358 1.00 0.31 N ATOM 873 CA ALA A 89 -13.274 -10.527 -4.216 1.00 0.29 C ATOM 874 C ALA A 89 -12.260 -9.480 -3.742 1.00 0.26 C ATOM 875 O ALA A 89 -12.461 -8.276 -3.920 1.00 0.27 O ATOM 876 CB ALA A 89 -13.624 -11.470 -3.074 1.00 0.35 C ATOM 0 H ALA A 89 -12.908 -12.305 -5.263 1.00 0.31 H new ATOM 0 HA ALA A 89 -14.164 -9.988 -4.539 1.00 0.29 H new ATOM 0 HB1 ALA A 89 -13.987 -10.893 -2.224 1.00 0.35 H new ATOM 0 HB2 ALA A 89 -14.400 -12.163 -3.399 1.00 0.35 H new ATOM 0 HB3 ALA A 89 -12.737 -12.030 -2.780 1.00 0.35 H new ATOM 882 N PHE A 90 -11.171 -9.949 -3.144 1.00 0.24 N ATOM 883 CA PHE A 90 -10.130 -9.067 -2.618 1.00 0.24 C ATOM 884 C PHE A 90 -9.468 -8.236 -3.710 1.00 0.21 C ATOM 885 O PHE A 90 -9.250 -7.040 -3.535 1.00 0.22 O ATOM 886 CB PHE A 90 -9.059 -9.893 -1.905 1.00 0.26 C ATOM 887 CG PHE A 90 -7.983 -9.057 -1.272 1.00 0.23 C ATOM 888 CD1 PHE A 90 -8.115 -8.615 0.033 1.00 0.28 C ATOM 889 CD2 PHE A 90 -6.838 -8.724 -1.977 1.00 0.27 C ATOM 890 CE1 PHE A 90 -7.127 -7.855 0.626 1.00 0.27 C ATOM 891 CE2 PHE A 90 -5.845 -7.961 -1.390 1.00 0.28 C ATOM 892 CZ PHE A 90 -5.998 -7.494 -0.115 1.00 0.23 C ATOM 0 H PHE A 90 -10.983 -10.943 -3.010 1.00 0.24 H new ATOM 0 HA PHE A 90 -10.614 -8.383 -1.920 1.00 0.24 H new ATOM 0 HB2 PHE A 90 -9.533 -10.504 -1.137 1.00 0.26 H new ATOM 0 HB3 PHE A 90 -8.603 -10.578 -2.620 1.00 0.26 H new ATOM 0 HD1 PHE A 90 -9.002 -8.868 0.594 1.00 0.28 H new ATOM 0 HD2 PHE A 90 -6.720 -9.064 -2.995 1.00 0.27 H new ATOM 0 HE1 PHE A 90 -7.226 -7.542 1.655 1.00 0.27 H new ATOM 0 HE2 PHE A 90 -4.945 -7.733 -1.942 1.00 0.28 H new ATOM 0 HZ PHE A 90 -5.249 -6.848 0.319 1.00 0.23 H new ATOM 902 N ARG A 91 -9.161 -8.869 -4.835 1.00 0.19 N ATOM 903 CA ARG A 91 -8.479 -8.187 -5.933 1.00 0.21 C ATOM 904 C ARG A 91 -9.250 -6.948 -6.385 1.00 0.20 C ATOM 905 O ARG A 91 -8.741 -5.830 -6.306 1.00 0.19 O ATOM 906 CB ARG A 91 -8.270 -9.136 -7.108 1.00 0.25 C ATOM 907 CG ARG A 91 -6.902 -8.997 -7.752 1.00 0.34 C ATOM 908 CD ARG A 91 -6.809 -9.830 -9.013 1.00 1.15 C ATOM 909 NE ARG A 91 -7.621 -9.281 -10.096 1.00 1.75 N ATOM 910 CZ ARG A 91 -7.510 -9.658 -11.368 1.00 2.52 C ATOM 911 NH1 ARG A 91 -6.622 -10.579 -11.716 1.00 2.91 N ATOM 912 NH2 ARG A 91 -8.288 -9.111 -12.292 1.00 3.34 N ATOM 0 H ARG A 91 -9.372 -9.851 -5.013 1.00 0.19 H new ATOM 0 HA ARG A 91 -7.506 -7.863 -5.565 1.00 0.21 H new ATOM 0 HB2 ARG A 91 -8.401 -10.163 -6.766 1.00 0.25 H new ATOM 0 HB3 ARG A 91 -9.038 -8.950 -7.858 1.00 0.25 H new ATOM 0 HG2 ARG A 91 -6.712 -7.950 -7.989 1.00 0.34 H new ATOM 0 HG3 ARG A 91 -6.131 -9.310 -7.048 1.00 0.34 H new ATOM 0 HD2 ARG A 91 -5.769 -9.887 -9.333 1.00 1.15 H new ATOM 0 HD3 ARG A 91 -7.132 -10.849 -8.799 1.00 1.15 H new ATOM 0 HE ARG A 91 -8.313 -8.568 -9.864 1.00 1.75 H new ATOM 0 HH11 ARG A 91 -6.021 -11.001 -11.008 1.00 2.91 H new ATOM 0 HH12 ARG A 91 -6.540 -10.865 -12.692 1.00 2.91 H new ATOM 0 HH21 ARG A 91 -8.972 -8.401 -12.028 1.00 3.34 H new ATOM 0 HH22 ARG A 91 -8.203 -9.400 -13.267 1.00 3.34 H new ATOM 926 N GLU A 92 -10.473 -7.153 -6.871 1.00 0.25 N ATOM 927 CA GLU A 92 -11.306 -6.039 -7.327 1.00 0.27 C ATOM 928 C GLU A 92 -11.418 -4.974 -6.240 1.00 0.26 C ATOM 929 O GLU A 92 -11.516 -3.785 -6.539 1.00 0.25 O ATOM 930 CB GLU A 92 -12.698 -6.532 -7.747 1.00 0.32 C ATOM 931 CG GLU A 92 -13.572 -6.999 -6.592 1.00 1.17 C ATOM 932 CD GLU A 92 -14.374 -5.875 -5.966 1.00 1.97 C ATOM 933 OE1 GLU A 92 -15.228 -5.294 -6.669 1.00 2.25 O ATOM 934 OE2 GLU A 92 -14.150 -5.576 -4.775 1.00 2.58 O ATOM 0 H GLU A 92 -10.907 -8.072 -6.959 1.00 0.25 H new ATOM 0 HA GLU A 92 -10.828 -5.592 -8.199 1.00 0.27 H new ATOM 0 HB2 GLU A 92 -13.212 -5.728 -8.274 1.00 0.32 H new ATOM 0 HB3 GLU A 92 -12.582 -7.353 -8.454 1.00 0.32 H new ATOM 0 HG2 GLU A 92 -14.255 -7.770 -6.949 1.00 1.17 H new ATOM 0 HG3 GLU A 92 -12.943 -7.458 -5.829 1.00 1.17 H new ATOM 941 N ALA A 93 -11.411 -5.400 -4.978 1.00 0.26 N ATOM 942 CA ALA A 93 -11.483 -4.458 -3.866 1.00 0.26 C ATOM 943 C ALA A 93 -10.299 -3.501 -3.926 1.00 0.23 C ATOM 944 O ALA A 93 -10.429 -2.297 -3.678 1.00 0.22 O ATOM 945 CB ALA A 93 -11.508 -5.197 -2.536 1.00 0.29 C ATOM 0 H ALA A 93 -11.357 -6.381 -4.703 1.00 0.26 H new ATOM 0 HA ALA A 93 -12.406 -3.885 -3.949 1.00 0.26 H new ATOM 0 HB1 ALA A 93 -11.562 -4.476 -1.720 1.00 0.29 H new ATOM 0 HB2 ALA A 93 -12.379 -5.852 -2.500 1.00 0.29 H new ATOM 0 HB3 ALA A 93 -10.601 -5.793 -2.434 1.00 0.29 H new ATOM 951 N ILE A 94 -9.138 -4.052 -4.271 1.00 0.21 N ATOM 952 CA ILE A 94 -7.927 -3.259 -4.393 1.00 0.20 C ATOM 953 C ILE A 94 -8.090 -2.258 -5.519 1.00 0.19 C ATOM 954 O ILE A 94 -7.578 -1.141 -5.464 1.00 0.20 O ATOM 955 CB ILE A 94 -6.700 -4.124 -4.711 1.00 0.20 C ATOM 956 CG1 ILE A 94 -6.714 -5.415 -3.906 1.00 0.23 C ATOM 957 CG2 ILE A 94 -5.437 -3.345 -4.427 1.00 0.22 C ATOM 958 CD1 ILE A 94 -5.801 -6.471 -4.478 1.00 0.24 C ATOM 0 H ILE A 94 -9.015 -5.045 -4.470 1.00 0.21 H new ATOM 0 HA ILE A 94 -7.770 -2.763 -3.435 1.00 0.20 H new ATOM 0 HB ILE A 94 -6.731 -4.388 -5.768 1.00 0.20 H new ATOM 0 HG12 ILE A 94 -6.416 -5.201 -2.880 1.00 0.23 H new ATOM 0 HG13 ILE A 94 -7.732 -5.803 -3.868 1.00 0.23 H new ATOM 0 HG21 ILE A 94 -4.569 -3.964 -4.654 1.00 0.22 H new ATOM 0 HG22 ILE A 94 -5.416 -2.448 -5.046 1.00 0.22 H new ATOM 0 HG23 ILE A 94 -5.414 -3.060 -3.375 1.00 0.22 H new ATOM 0 HD11 ILE A 94 -5.853 -7.369 -3.862 1.00 0.24 H new ATOM 0 HD12 ILE A 94 -6.113 -6.710 -5.495 1.00 0.24 H new ATOM 0 HD13 ILE A 94 -4.777 -6.098 -4.491 1.00 0.24 H new ATOM 970 N ASN A 95 -8.815 -2.685 -6.545 1.00 0.20 N ATOM 971 CA ASN A 95 -9.073 -1.852 -7.702 1.00 0.21 C ATOM 972 C ASN A 95 -9.884 -0.633 -7.275 1.00 0.21 C ATOM 973 O ASN A 95 -9.696 0.464 -7.800 1.00 0.25 O ATOM 974 CB ASN A 95 -9.808 -2.674 -8.769 1.00 0.23 C ATOM 975 CG ASN A 95 -11.036 -1.978 -9.307 1.00 0.26 C ATOM 976 OD1 ASN A 95 -12.026 -1.818 -8.444 1.00 0.33 O flip ATOM 977 ND2 ASN A 95 -11.089 -1.581 -10.472 1.00 0.24 N flip ATOM 0 H ASN A 95 -9.236 -3.613 -6.595 1.00 0.20 H new ATOM 0 HA ASN A 95 -8.135 -1.501 -8.133 1.00 0.21 H new ATOM 0 HB2 ASN A 95 -9.125 -2.883 -9.593 1.00 0.23 H new ATOM 0 HB3 ASN A 95 -10.098 -3.635 -8.344 1.00 0.23 H new ATOM 0 HD21 ASN A 95 -10.297 -1.729 -11.098 1.00 0.24 H new ATOM 0 HD22 ASN A 95 -11.924 -1.104 -10.811 1.00 0.24 H new ATOM 984 N LYS A 96 -10.793 -0.835 -6.318 1.00 0.20 N ATOM 985 CA LYS A 96 -11.609 0.256 -5.802 1.00 0.20 C ATOM 986 C LYS A 96 -10.702 1.324 -5.214 1.00 0.19 C ATOM 987 O LYS A 96 -10.860 2.513 -5.490 1.00 0.20 O ATOM 988 CB LYS A 96 -12.587 -0.244 -4.736 1.00 0.24 C ATOM 989 CG LYS A 96 -13.961 -0.589 -5.286 1.00 0.34 C ATOM 990 CD LYS A 96 -13.972 -1.955 -5.945 1.00 0.76 C ATOM 991 CE LYS A 96 -15.221 -2.150 -6.787 1.00 0.75 C ATOM 992 NZ LYS A 96 -16.463 -2.049 -5.971 1.00 1.64 N ATOM 0 H LYS A 96 -10.979 -1.742 -5.889 1.00 0.20 H new ATOM 0 HA LYS A 96 -12.192 0.675 -6.622 1.00 0.20 H new ATOM 0 HB2 LYS A 96 -12.166 -1.126 -4.253 1.00 0.24 H new ATOM 0 HB3 LYS A 96 -12.694 0.520 -3.966 1.00 0.24 H new ATOM 0 HG2 LYS A 96 -14.693 -0.568 -4.478 1.00 0.34 H new ATOM 0 HG3 LYS A 96 -14.264 0.167 -6.010 1.00 0.34 H new ATOM 0 HD2 LYS A 96 -13.087 -2.066 -6.572 1.00 0.76 H new ATOM 0 HD3 LYS A 96 -13.921 -2.731 -5.181 1.00 0.76 H new ATOM 0 HE2 LYS A 96 -15.245 -1.402 -7.579 1.00 0.75 H new ATOM 0 HE3 LYS A 96 -15.183 -3.126 -7.272 1.00 0.75 H new ATOM 0 HZ1 LYS A 96 -17.282 -2.321 -6.551 1.00 1.64 H new ATOM 0 HZ2 LYS A 96 -16.393 -2.685 -5.151 1.00 1.64 H new ATOM 0 HZ3 LYS A 96 -16.582 -1.070 -5.640 1.00 1.64 H new ATOM 1006 N LEU A 97 -9.750 0.881 -4.397 1.00 0.21 N ATOM 1007 CA LEU A 97 -8.787 1.789 -3.787 1.00 0.22 C ATOM 1008 C LEU A 97 -8.003 2.513 -4.870 1.00 0.21 C ATOM 1009 O LEU A 97 -7.762 3.710 -4.774 1.00 0.25 O ATOM 1010 CB LEU A 97 -7.828 1.013 -2.876 1.00 0.25 C ATOM 1011 CG LEU A 97 -6.361 1.474 -2.900 1.00 0.38 C ATOM 1012 CD1 LEU A 97 -6.095 2.500 -1.813 1.00 0.52 C ATOM 1013 CD2 LEU A 97 -5.437 0.279 -2.737 1.00 0.62 C ATOM 0 H LEU A 97 -9.626 -0.099 -4.143 1.00 0.21 H new ATOM 0 HA LEU A 97 -9.325 2.521 -3.185 1.00 0.22 H new ATOM 0 HB2 LEU A 97 -8.194 1.082 -1.852 1.00 0.25 H new ATOM 0 HB3 LEU A 97 -7.863 -0.040 -3.156 1.00 0.25 H new ATOM 0 HG LEU A 97 -6.165 1.945 -3.863 1.00 0.38 H new ATOM 0 HD11 LEU A 97 -5.050 2.809 -1.852 1.00 0.52 H new ATOM 0 HD12 LEU A 97 -6.736 3.368 -1.967 1.00 0.52 H new ATOM 0 HD13 LEU A 97 -6.307 2.061 -0.838 1.00 0.52 H new ATOM 0 HD21 LEU A 97 -4.400 0.615 -2.755 1.00 0.62 H new ATOM 0 HD22 LEU A 97 -5.642 -0.213 -1.786 1.00 0.62 H new ATOM 0 HD23 LEU A 97 -5.605 -0.424 -3.553 1.00 0.62 H new ATOM 1025 N GLU A 98 -7.660 1.772 -5.920 1.00 0.18 N ATOM 1026 CA GLU A 98 -6.882 2.300 -7.034 1.00 0.19 C ATOM 1027 C GLU A 98 -7.573 3.498 -7.662 1.00 0.17 C ATOM 1028 O GLU A 98 -7.001 4.585 -7.729 1.00 0.20 O ATOM 1029 CB GLU A 98 -6.673 1.217 -8.089 1.00 0.21 C ATOM 1030 CG GLU A 98 -5.896 1.688 -9.307 1.00 0.27 C ATOM 1031 CD GLU A 98 -4.751 2.619 -8.954 1.00 0.88 C ATOM 1032 OE1 GLU A 98 -3.808 2.166 -8.272 1.00 0.96 O ATOM 1033 OE2 GLU A 98 -4.796 3.797 -9.363 1.00 1.87 O ATOM 0 H GLU A 98 -7.914 0.789 -6.021 1.00 0.18 H new ATOM 0 HA GLU A 98 -5.915 2.621 -6.647 1.00 0.19 H new ATOM 0 HB2 GLU A 98 -6.145 0.378 -7.635 1.00 0.21 H new ATOM 0 HB3 GLU A 98 -7.645 0.845 -8.412 1.00 0.21 H new ATOM 0 HG2 GLU A 98 -5.502 0.821 -9.838 1.00 0.27 H new ATOM 0 HG3 GLU A 98 -6.575 2.198 -9.990 1.00 0.27 H new ATOM 1040 N ASN A 99 -8.804 3.298 -8.125 1.00 0.16 N ATOM 1041 CA ASN A 99 -9.559 4.377 -8.741 1.00 0.17 C ATOM 1042 C ASN A 99 -9.780 5.488 -7.732 1.00 0.21 C ATOM 1043 O ASN A 99 -9.858 6.660 -8.096 1.00 0.44 O ATOM 1044 CB ASN A 99 -10.900 3.868 -9.274 1.00 0.22 C ATOM 1045 CG ASN A 99 -10.736 2.922 -10.447 1.00 1.00 C ATOM 1046 OD1 ASN A 99 -10.661 3.350 -11.600 1.00 2.12 O ATOM 1047 ND2 ASN A 99 -10.685 1.628 -10.161 1.00 0.62 N ATOM 0 H ASN A 99 -9.294 2.404 -8.084 1.00 0.16 H new ATOM 0 HA ASN A 99 -8.987 4.766 -9.583 1.00 0.17 H new ATOM 0 HB2 ASN A 99 -11.436 3.359 -8.473 1.00 0.22 H new ATOM 0 HB3 ASN A 99 -11.512 4.717 -9.579 1.00 0.22 H new ATOM 0 HD21 ASN A 99 -10.580 0.944 -10.910 1.00 0.62 H new ATOM 0 HD22 ASN A 99 -10.751 1.317 -9.192 1.00 0.62 H new ATOM 1054 N ASN A 100 -9.895 5.121 -6.455 1.00 0.17 N ATOM 1055 CA ASN A 100 -10.070 6.106 -5.414 1.00 0.16 C ATOM 1056 C ASN A 100 -8.835 6.994 -5.370 1.00 0.16 C ATOM 1057 O ASN A 100 -8.943 8.200 -5.167 1.00 0.21 O ATOM 1058 CB ASN A 100 -10.317 5.422 -4.068 1.00 0.19 C ATOM 1059 CG ASN A 100 -9.648 6.142 -2.924 1.00 0.18 C ATOM 1060 OD1 ASN A 100 -8.405 5.778 -2.666 1.00 0.26 O flip ATOM 1061 ND2 ASN A 100 -10.238 7.013 -2.285 1.00 0.21 N flip ATOM 0 H ASN A 100 -9.869 4.155 -6.129 1.00 0.17 H new ATOM 0 HA ASN A 100 -10.943 6.724 -5.626 1.00 0.16 H new ATOM 0 HB2 ASN A 100 -11.390 5.369 -3.882 1.00 0.19 H new ATOM 0 HB3 ASN A 100 -9.950 4.397 -4.112 1.00 0.19 H new ATOM 0 HD21 ASN A 100 -11.199 7.258 -2.524 1.00 0.21 H new ATOM 0 HD22 ASN A 100 -9.766 7.490 -1.517 1.00 0.21 H new ATOM 1068 N LEU A 101 -7.657 6.390 -5.566 1.00 0.19 N ATOM 1069 CA LEU A 101 -6.418 7.153 -5.601 1.00 0.25 C ATOM 1070 C LEU A 101 -6.437 8.032 -6.844 1.00 0.23 C ATOM 1071 O LEU A 101 -6.043 9.198 -6.818 1.00 0.25 O ATOM 1072 CB LEU A 101 -5.186 6.233 -5.659 1.00 0.32 C ATOM 1073 CG LEU A 101 -5.223 4.963 -4.788 1.00 0.42 C ATOM 1074 CD1 LEU A 101 -3.886 4.252 -4.808 1.00 0.32 C ATOM 1075 CD2 LEU A 101 -5.612 5.276 -3.360 1.00 0.58 C ATOM 0 H LEU A 101 -7.543 5.385 -5.701 1.00 0.19 H new ATOM 0 HA LEU A 101 -6.349 7.750 -4.692 1.00 0.25 H new ATOM 0 HB2 LEU A 101 -5.038 5.929 -6.695 1.00 0.32 H new ATOM 0 HB3 LEU A 101 -4.312 6.817 -5.370 1.00 0.32 H new ATOM 0 HG LEU A 101 -5.982 4.307 -5.215 1.00 0.42 H new ATOM 0 HD11 LEU A 101 -3.939 3.359 -4.185 1.00 0.32 H new ATOM 0 HD12 LEU A 101 -3.641 3.967 -5.831 1.00 0.32 H new ATOM 0 HD13 LEU A 101 -3.114 4.918 -4.422 1.00 0.32 H new ATOM 0 HD21 LEU A 101 -5.627 4.355 -2.777 1.00 0.58 H new ATOM 0 HD22 LEU A 101 -4.888 5.967 -2.929 1.00 0.58 H new ATOM 0 HD23 LEU A 101 -6.602 5.732 -3.344 1.00 0.58 H new ATOM 1087 N ARG A 102 -6.907 7.429 -7.932 1.00 0.22 N ATOM 1088 CA ARG A 102 -7.019 8.093 -9.224 1.00 0.23 C ATOM 1089 C ARG A 102 -7.859 9.359 -9.131 1.00 0.24 C ATOM 1090 O ARG A 102 -7.602 10.332 -9.830 1.00 0.34 O ATOM 1091 CB ARG A 102 -7.656 7.134 -10.230 1.00 0.25 C ATOM 1092 CG ARG A 102 -6.738 6.010 -10.678 1.00 0.29 C ATOM 1093 CD ARG A 102 -7.420 5.100 -11.685 1.00 0.38 C ATOM 1094 NE ARG A 102 -7.785 5.808 -12.908 1.00 0.97 N ATOM 1095 CZ ARG A 102 -8.287 5.209 -13.985 1.00 1.26 C ATOM 1096 NH1 ARG A 102 -8.476 3.896 -13.990 1.00 1.25 N ATOM 1097 NH2 ARG A 102 -8.600 5.923 -15.058 1.00 2.09 N ATOM 0 H ARG A 102 -7.223 6.459 -7.941 1.00 0.22 H new ATOM 0 HA ARG A 102 -6.018 8.375 -9.550 1.00 0.23 H new ATOM 0 HB2 ARG A 102 -8.553 6.702 -9.787 1.00 0.25 H new ATOM 0 HB3 ARG A 102 -7.974 7.700 -11.105 1.00 0.25 H new ATOM 0 HG2 ARG A 102 -5.835 6.431 -11.120 1.00 0.29 H new ATOM 0 HG3 ARG A 102 -6.426 5.426 -9.812 1.00 0.29 H new ATOM 0 HD2 ARG A 102 -6.756 4.271 -11.931 1.00 0.38 H new ATOM 0 HD3 ARG A 102 -8.315 4.669 -11.236 1.00 0.38 H new ATOM 0 HE ARG A 102 -7.648 6.818 -12.939 1.00 0.97 H new ATOM 0 HH11 ARG A 102 -8.236 3.343 -13.167 1.00 1.25 H new ATOM 0 HH12 ARG A 102 -8.861 3.439 -14.817 1.00 1.25 H new ATOM 0 HH21 ARG A 102 -8.456 6.933 -15.058 1.00 2.09 H new ATOM 0 HH22 ARG A 102 -8.985 5.462 -15.883 1.00 2.09 H new ATOM 1111 N GLU A 103 -8.915 9.298 -8.337 1.00 0.24 N ATOM 1112 CA GLU A 103 -9.796 10.445 -8.131 1.00 0.24 C ATOM 1113 C GLU A 103 -9.328 11.318 -6.959 1.00 0.24 C ATOM 1114 O GLU A 103 -9.731 12.475 -6.838 1.00 0.25 O ATOM 1115 CB GLU A 103 -11.228 9.965 -7.881 1.00 0.26 C ATOM 1116 CG GLU A 103 -12.250 11.089 -7.832 1.00 0.34 C ATOM 1117 CD GLU A 103 -13.646 10.593 -7.509 1.00 1.36 C ATOM 1118 OE1 GLU A 103 -14.341 10.127 -8.438 1.00 1.82 O ATOM 1119 OE2 GLU A 103 -14.045 10.670 -6.328 1.00 2.32 O ATOM 0 H GLU A 103 -9.188 8.462 -7.820 1.00 0.24 H new ATOM 0 HA GLU A 103 -9.765 11.054 -9.035 1.00 0.24 H new ATOM 0 HB2 GLU A 103 -11.509 9.264 -8.667 1.00 0.26 H new ATOM 0 HB3 GLU A 103 -11.259 9.417 -6.939 1.00 0.26 H new ATOM 0 HG2 GLU A 103 -11.945 11.820 -7.083 1.00 0.34 H new ATOM 0 HG3 GLU A 103 -12.264 11.604 -8.792 1.00 0.34 H new ATOM 1126 N LEU A 104 -8.474 10.757 -6.102 1.00 0.24 N ATOM 1127 CA LEU A 104 -7.995 11.457 -4.909 1.00 0.25 C ATOM 1128 C LEU A 104 -6.772 12.343 -5.158 1.00 0.29 C ATOM 1129 O LEU A 104 -6.553 13.308 -4.425 1.00 0.31 O ATOM 1130 CB LEU A 104 -7.664 10.426 -3.835 1.00 0.24 C ATOM 1131 CG LEU A 104 -7.244 10.990 -2.488 1.00 0.24 C ATOM 1132 CD1 LEU A 104 -8.459 11.468 -1.729 1.00 0.29 C ATOM 1133 CD2 LEU A 104 -6.495 9.936 -1.695 1.00 0.24 C ATOM 0 H LEU A 104 -8.098 9.815 -6.213 1.00 0.24 H new ATOM 0 HA LEU A 104 -8.795 12.125 -4.591 1.00 0.25 H new ATOM 0 HB2 LEU A 104 -8.537 9.790 -3.686 1.00 0.24 H new ATOM 0 HB3 LEU A 104 -6.863 9.786 -4.206 1.00 0.24 H new ATOM 0 HG LEU A 104 -6.579 11.839 -2.645 1.00 0.24 H new ATOM 0 HD11 LEU A 104 -8.150 11.871 -0.764 1.00 0.29 H new ATOM 0 HD12 LEU A 104 -8.964 12.246 -2.302 1.00 0.29 H new ATOM 0 HD13 LEU A 104 -9.141 10.633 -1.572 1.00 0.29 H new ATOM 0 HD21 LEU A 104 -6.198 10.349 -0.731 1.00 0.24 H new ATOM 0 HD22 LEU A 104 -7.141 9.073 -1.536 1.00 0.24 H new ATOM 0 HD23 LEU A 104 -5.607 9.628 -2.247 1.00 0.24 H new ATOM 1145 N GLN A 105 -5.979 12.033 -6.175 1.00 0.40 N ATOM 1146 CA GLN A 105 -4.782 12.826 -6.453 1.00 0.51 C ATOM 1147 C GLN A 105 -5.168 14.221 -6.947 1.00 0.45 C ATOM 1148 O GLN A 105 -6.310 14.447 -7.349 1.00 1.00 O ATOM 1149 CB GLN A 105 -3.864 12.098 -7.452 1.00 0.86 C ATOM 1150 CG GLN A 105 -3.957 12.582 -8.893 1.00 0.44 C ATOM 1151 CD GLN A 105 -5.378 12.648 -9.409 1.00 1.31 C ATOM 1152 OE1 GLN A 105 -6.279 11.921 -8.765 1.00 2.04 O flip ATOM 1153 NE2 GLN A 105 -5.665 13.358 -10.370 1.00 1.38 N flip ATOM 0 H GLN A 105 -6.136 11.253 -6.813 1.00 0.40 H new ATOM 0 HA GLN A 105 -4.220 12.948 -5.527 1.00 0.51 H new ATOM 0 HB2 GLN A 105 -2.832 12.204 -7.116 1.00 0.86 H new ATOM 0 HB3 GLN A 105 -4.099 11.034 -7.428 1.00 0.86 H new ATOM 0 HG2 GLN A 105 -3.504 13.571 -8.967 1.00 0.44 H new ATOM 0 HG3 GLN A 105 -3.376 11.916 -9.531 1.00 0.44 H new ATOM 0 HE21 GLN A 105 -4.939 13.902 -10.837 1.00 1.38 H new ATOM 0 HE22 GLN A 105 -6.629 13.404 -10.701 1.00 1.38 H new ATOM 1342 N PHE A 121 -12.029 12.521 2.961 1.00 0.45 N ATOM 1343 CA PHE A 121 -11.781 11.249 2.296 1.00 0.36 C ATOM 1344 C PHE A 121 -12.202 10.071 3.170 1.00 0.31 C ATOM 1345 O PHE A 121 -11.489 9.071 3.256 1.00 0.33 O ATOM 1346 CB PHE A 121 -10.298 11.109 1.936 1.00 0.47 C ATOM 1347 CG PHE A 121 -9.641 12.364 1.416 1.00 0.37 C ATOM 1348 CD1 PHE A 121 -10.400 13.320 0.759 1.00 0.46 C ATOM 1349 CD2 PHE A 121 -8.284 12.605 1.597 1.00 0.27 C ATOM 1350 CE1 PHE A 121 -9.825 14.485 0.291 1.00 0.41 C ATOM 1351 CE2 PHE A 121 -7.706 13.771 1.134 1.00 0.26 C ATOM 1352 CZ PHE A 121 -8.382 14.643 0.437 1.00 0.31 C ATOM 0 HA PHE A 121 -12.379 11.238 1.385 1.00 0.36 H new ATOM 0 HB2 PHE A 121 -9.756 10.774 2.821 1.00 0.47 H new ATOM 0 HB3 PHE A 121 -10.196 10.326 1.184 1.00 0.47 H new ATOM 0 HD1 PHE A 121 -11.456 13.151 0.611 1.00 0.46 H new ATOM 0 HD2 PHE A 121 -7.675 11.872 2.105 1.00 0.27 H new ATOM 0 HE1 PHE A 121 -10.425 15.256 -0.169 1.00 0.41 H new ATOM 0 HE2 PHE A 121 -6.667 13.966 1.355 1.00 0.26 H new ATOM 0 HZ PHE A 121 -7.877 15.476 -0.029 1.00 0.31 H new ATOM 1362 N SER A 122 -13.357 10.185 3.819 1.00 0.32 N ATOM 1363 CA SER A 122 -13.848 9.108 4.667 1.00 0.34 C ATOM 1364 C SER A 122 -14.205 7.892 3.825 1.00 0.29 C ATOM 1365 O SER A 122 -14.273 6.772 4.331 1.00 0.32 O ATOM 1366 CB SER A 122 -15.063 9.550 5.480 1.00 0.42 C ATOM 1367 OG SER A 122 -14.764 10.687 6.270 1.00 1.26 O ATOM 0 H SER A 122 -13.964 11.004 3.774 1.00 0.32 H new ATOM 0 HA SER A 122 -13.051 8.843 5.361 1.00 0.34 H new ATOM 0 HB2 SER A 122 -15.890 9.778 4.808 1.00 0.42 H new ATOM 0 HB3 SER A 122 -15.391 8.733 6.123 1.00 0.42 H new ATOM 0 HG SER A 122 -15.559 10.950 6.779 1.00 1.26 H new ATOM 1373 N LYS A 123 -14.449 8.119 2.539 1.00 0.27 N ATOM 1374 CA LYS A 123 -14.776 7.031 1.632 1.00 0.29 C ATOM 1375 C LYS A 123 -13.576 6.113 1.495 1.00 0.24 C ATOM 1376 O LYS A 123 -13.709 4.890 1.489 1.00 0.27 O ATOM 1377 CB LYS A 123 -15.196 7.570 0.267 1.00 0.37 C ATOM 1378 CG LYS A 123 -16.565 8.225 0.278 1.00 0.42 C ATOM 1379 CD LYS A 123 -16.528 9.618 0.888 1.00 0.91 C ATOM 1380 CE LYS A 123 -15.715 10.574 0.034 1.00 1.81 C ATOM 1381 NZ LYS A 123 -16.370 10.844 -1.275 1.00 2.58 N ATOM 0 H LYS A 123 -14.426 9.042 2.105 1.00 0.27 H new ATOM 0 HA LYS A 123 -15.615 6.468 2.041 1.00 0.29 H new ATOM 0 HB2 LYS A 123 -14.456 8.295 -0.073 1.00 0.37 H new ATOM 0 HB3 LYS A 123 -15.197 6.753 -0.454 1.00 0.37 H new ATOM 0 HG2 LYS A 123 -16.945 8.286 -0.742 1.00 0.42 H new ATOM 0 HG3 LYS A 123 -17.260 7.602 0.841 1.00 0.42 H new ATOM 0 HD2 LYS A 123 -17.544 9.997 0.995 1.00 0.91 H new ATOM 0 HD3 LYS A 123 -16.100 9.567 1.889 1.00 0.91 H new ATOM 0 HE2 LYS A 123 -15.577 11.512 0.571 1.00 1.81 H new ATOM 0 HE3 LYS A 123 -14.723 10.155 -0.136 1.00 1.81 H new ATOM 0 HZ1 LYS A 123 -15.899 11.646 -1.740 1.00 2.58 H new ATOM 0 HZ2 LYS A 123 -16.297 10.001 -1.880 1.00 2.58 H new ATOM 0 HZ3 LYS A 123 -17.372 11.074 -1.121 1.00 2.58 H new ATOM 1395 N LEU A 124 -12.398 6.720 1.382 1.00 0.22 N ATOM 1396 CA LEU A 124 -11.164 5.971 1.290 1.00 0.20 C ATOM 1397 C LEU A 124 -10.998 5.138 2.555 1.00 0.16 C ATOM 1398 O LEU A 124 -10.360 4.085 2.551 1.00 0.16 O ATOM 1399 CB LEU A 124 -9.989 6.941 1.110 1.00 0.25 C ATOM 1400 CG LEU A 124 -8.602 6.311 0.956 1.00 0.24 C ATOM 1401 CD1 LEU A 124 -8.683 4.991 0.218 1.00 0.26 C ATOM 1402 CD2 LEU A 124 -7.679 7.261 0.214 1.00 0.25 C ATOM 0 H LEU A 124 -12.280 7.733 1.353 1.00 0.22 H new ATOM 0 HA LEU A 124 -11.188 5.302 0.429 1.00 0.20 H new ATOM 0 HB2 LEU A 124 -10.185 7.555 0.231 1.00 0.25 H new ATOM 0 HB3 LEU A 124 -9.966 7.612 1.969 1.00 0.25 H new ATOM 0 HG LEU A 124 -8.202 6.123 1.952 1.00 0.24 H new ATOM 0 HD11 LEU A 124 -7.684 4.566 0.123 1.00 0.26 H new ATOM 0 HD12 LEU A 124 -9.319 4.302 0.773 1.00 0.26 H new ATOM 0 HD13 LEU A 124 -9.104 5.154 -0.774 1.00 0.26 H new ATOM 0 HD21 LEU A 124 -6.695 6.804 0.109 1.00 0.25 H new ATOM 0 HD22 LEU A 124 -8.089 7.469 -0.774 1.00 0.25 H new ATOM 0 HD23 LEU A 124 -7.589 8.192 0.773 1.00 0.25 H new ATOM 1414 N LEU A 125 -11.603 5.622 3.636 1.00 0.18 N ATOM 1415 CA LEU A 125 -11.556 4.936 4.918 1.00 0.22 C ATOM 1416 C LEU A 125 -12.390 3.660 4.856 1.00 0.24 C ATOM 1417 O LEU A 125 -11.931 2.580 5.242 1.00 0.26 O ATOM 1418 CB LEU A 125 -12.082 5.861 6.023 1.00 0.28 C ATOM 1419 CG LEU A 125 -11.281 5.842 7.324 1.00 0.32 C ATOM 1420 CD1 LEU A 125 -10.021 6.680 7.179 1.00 1.23 C ATOM 1421 CD2 LEU A 125 -12.131 6.348 8.481 1.00 1.30 C ATOM 0 H LEU A 125 -12.134 6.493 3.646 1.00 0.18 H new ATOM 0 HA LEU A 125 -10.524 4.669 5.144 1.00 0.22 H new ATOM 0 HB2 LEU A 125 -12.101 6.882 5.642 1.00 0.28 H new ATOM 0 HB3 LEU A 125 -13.113 5.585 6.246 1.00 0.28 H new ATOM 0 HG LEU A 125 -10.990 4.814 7.538 1.00 0.32 H new ATOM 0 HD11 LEU A 125 -9.460 6.658 8.113 1.00 1.23 H new ATOM 0 HD12 LEU A 125 -9.405 6.275 6.376 1.00 1.23 H new ATOM 0 HD13 LEU A 125 -10.293 7.709 6.944 1.00 1.23 H new ATOM 0 HD21 LEU A 125 -11.544 6.328 9.400 1.00 1.30 H new ATOM 0 HD22 LEU A 125 -12.451 7.370 8.278 1.00 1.30 H new ATOM 0 HD23 LEU A 125 -13.007 5.709 8.596 1.00 1.30 H new ATOM 1433 N SER A 126 -13.619 3.792 4.359 1.00 0.28 N ATOM 1434 CA SER A 126 -14.515 2.650 4.226 1.00 0.34 C ATOM 1435 C SER A 126 -13.938 1.630 3.251 1.00 0.28 C ATOM 1436 O SER A 126 -14.088 0.422 3.437 1.00 0.29 O ATOM 1437 CB SER A 126 -15.894 3.109 3.747 1.00 0.44 C ATOM 1438 OG SER A 126 -16.469 4.031 4.656 1.00 1.40 O ATOM 0 H SER A 126 -14.014 4.678 4.043 1.00 0.28 H new ATOM 0 HA SER A 126 -14.619 2.180 5.204 1.00 0.34 H new ATOM 0 HB2 SER A 126 -15.806 3.570 2.763 1.00 0.44 H new ATOM 0 HB3 SER A 126 -16.550 2.246 3.636 1.00 0.44 H new ATOM 0 HG SER A 126 -17.349 4.310 4.326 1.00 1.40 H new ATOM 1444 N SER A 127 -13.280 2.131 2.211 1.00 0.25 N ATOM 1445 CA SER A 127 -12.667 1.275 1.201 1.00 0.25 C ATOM 1446 C SER A 127 -11.628 0.357 1.831 1.00 0.21 C ATOM 1447 O SER A 127 -11.560 -0.830 1.512 1.00 0.23 O ATOM 1448 CB SER A 127 -12.019 2.128 0.109 1.00 0.31 C ATOM 1449 OG SER A 127 -12.993 2.871 -0.605 1.00 1.09 O ATOM 0 H SER A 127 -13.157 3.130 2.045 1.00 0.25 H new ATOM 0 HA SER A 127 -13.447 0.659 0.755 1.00 0.25 H new ATOM 0 HB2 SER A 127 -11.295 2.808 0.557 1.00 0.31 H new ATOM 0 HB3 SER A 127 -11.470 1.486 -0.580 1.00 0.31 H new ATOM 0 HG SER A 127 -13.336 3.592 -0.036 1.00 1.09 H new ATOM 1455 N VAL A 128 -10.828 0.914 2.734 1.00 0.23 N ATOM 1456 CA VAL A 128 -9.785 0.155 3.415 1.00 0.30 C ATOM 1457 C VAL A 128 -10.379 -1.003 4.203 1.00 0.29 C ATOM 1458 O VAL A 128 -9.963 -2.153 4.048 1.00 0.32 O ATOM 1459 CB VAL A 128 -8.981 1.057 4.371 1.00 0.40 C ATOM 1460 CG1 VAL A 128 -8.117 0.225 5.307 1.00 0.51 C ATOM 1461 CG2 VAL A 128 -8.130 2.040 3.582 1.00 0.48 C ATOM 0 H VAL A 128 -10.883 1.894 3.012 1.00 0.23 H new ATOM 0 HA VAL A 128 -9.118 -0.239 2.648 1.00 0.30 H new ATOM 0 HB VAL A 128 -9.686 1.622 4.981 1.00 0.40 H new ATOM 0 HG11 VAL A 128 -7.560 0.886 5.971 1.00 0.51 H new ATOM 0 HG12 VAL A 128 -8.752 -0.434 5.899 1.00 0.51 H new ATOM 0 HG13 VAL A 128 -7.419 -0.374 4.722 1.00 0.51 H new ATOM 0 HG21 VAL A 128 -7.568 2.670 4.272 1.00 0.48 H new ATOM 0 HG22 VAL A 128 -7.437 1.491 2.945 1.00 0.48 H new ATOM 0 HG23 VAL A 128 -8.775 2.664 2.963 1.00 0.48 H new ATOM 1471 N LYS A 129 -11.350 -0.687 5.052 1.00 0.28 N ATOM 1472 CA LYS A 129 -12.007 -1.695 5.873 1.00 0.32 C ATOM 1473 C LYS A 129 -12.479 -2.876 5.030 1.00 0.27 C ATOM 1474 O LYS A 129 -12.323 -4.032 5.418 1.00 0.27 O ATOM 1475 CB LYS A 129 -13.184 -1.070 6.608 1.00 0.38 C ATOM 1476 CG LYS A 129 -12.763 -0.296 7.842 1.00 0.50 C ATOM 1477 CD LYS A 129 -13.705 0.856 8.122 1.00 1.12 C ATOM 1478 CE LYS A 129 -13.162 1.748 9.224 1.00 1.77 C ATOM 1479 NZ LYS A 129 -13.939 3.011 9.352 1.00 2.69 N ATOM 0 H LYS A 129 -11.700 0.261 5.189 1.00 0.28 H new ATOM 0 HA LYS A 129 -11.284 -2.071 6.597 1.00 0.32 H new ATOM 0 HB2 LYS A 129 -13.716 -0.403 5.930 1.00 0.38 H new ATOM 0 HB3 LYS A 129 -13.883 -1.854 6.898 1.00 0.38 H new ATOM 0 HG2 LYS A 129 -12.739 -0.965 8.702 1.00 0.50 H new ATOM 0 HG3 LYS A 129 -11.751 0.085 7.706 1.00 0.50 H new ATOM 0 HD2 LYS A 129 -13.849 1.441 7.214 1.00 1.12 H new ATOM 0 HD3 LYS A 129 -14.682 0.469 8.411 1.00 1.12 H new ATOM 0 HE2 LYS A 129 -13.186 1.210 10.171 1.00 1.77 H new ATOM 0 HE3 LYS A 129 -12.118 1.984 9.018 1.00 1.77 H new ATOM 0 HZ1 LYS A 129 -13.536 3.591 10.115 1.00 2.69 H new ATOM 0 HZ2 LYS A 129 -13.895 3.538 8.456 1.00 2.69 H new ATOM 0 HZ3 LYS A 129 -14.930 2.788 9.574 1.00 2.69 H new ATOM 1493 N GLU A 130 -13.063 -2.569 3.877 1.00 0.23 N ATOM 1494 CA GLU A 130 -13.566 -3.596 2.969 1.00 0.21 C ATOM 1495 C GLU A 130 -12.477 -4.589 2.559 1.00 0.17 C ATOM 1496 O GLU A 130 -12.628 -5.798 2.757 1.00 0.16 O ATOM 1497 CB GLU A 130 -14.167 -2.941 1.721 1.00 0.21 C ATOM 1498 CG GLU A 130 -14.710 -3.937 0.709 1.00 0.35 C ATOM 1499 CD GLU A 130 -15.840 -4.782 1.265 1.00 1.20 C ATOM 1500 OE1 GLU A 130 -15.549 -5.819 1.896 1.00 2.10 O ATOM 1501 OE2 GLU A 130 -17.015 -4.404 1.071 1.00 1.71 O ATOM 0 H GLU A 130 -13.201 -1.614 3.547 1.00 0.23 H new ATOM 0 HA GLU A 130 -14.335 -4.154 3.503 1.00 0.21 H new ATOM 0 HB2 GLU A 130 -14.971 -2.271 2.025 1.00 0.21 H new ATOM 0 HB3 GLU A 130 -13.405 -2.328 1.241 1.00 0.21 H new ATOM 0 HG2 GLU A 130 -15.064 -3.399 -0.170 1.00 0.35 H new ATOM 0 HG3 GLU A 130 -13.902 -4.590 0.379 1.00 0.35 H new ATOM 1508 N ILE A 131 -11.380 -4.084 1.993 1.00 0.18 N ATOM 1509 CA ILE A 131 -10.293 -4.956 1.544 1.00 0.16 C ATOM 1510 C ILE A 131 -9.879 -5.929 2.641 1.00 0.17 C ATOM 1511 O ILE A 131 -9.877 -7.142 2.431 1.00 0.16 O ATOM 1512 CB ILE A 131 -9.042 -4.171 1.093 1.00 0.18 C ATOM 1513 CG1 ILE A 131 -9.372 -2.706 0.819 1.00 0.28 C ATOM 1514 CG2 ILE A 131 -8.450 -4.819 -0.150 1.00 0.29 C ATOM 1515 CD1 ILE A 131 -8.154 -1.811 0.831 1.00 0.27 C ATOM 0 H ILE A 131 -11.221 -3.089 1.836 1.00 0.18 H new ATOM 0 HA ILE A 131 -10.689 -5.499 0.686 1.00 0.16 H new ATOM 0 HB ILE A 131 -8.311 -4.200 1.901 1.00 0.18 H new ATOM 0 HG12 ILE A 131 -9.865 -2.626 -0.150 1.00 0.28 H new ATOM 0 HG13 ILE A 131 -10.082 -2.354 1.567 1.00 0.28 H new ATOM 0 HG21 ILE A 131 -7.567 -4.262 -0.465 1.00 0.29 H new ATOM 0 HG22 ILE A 131 -8.169 -5.848 0.075 1.00 0.29 H new ATOM 0 HG23 ILE A 131 -9.189 -4.812 -0.951 1.00 0.29 H new ATOM 0 HD11 ILE A 131 -8.456 -0.783 0.630 1.00 0.27 H new ATOM 0 HD12 ILE A 131 -7.673 -1.864 1.808 1.00 0.27 H new ATOM 0 HD13 ILE A 131 -7.453 -2.140 0.064 1.00 0.27 H new ATOM 1527 N SER A 132 -9.521 -5.398 3.809 1.00 0.20 N ATOM 1528 CA SER A 132 -9.130 -6.240 4.932 1.00 0.23 C ATOM 1529 C SER A 132 -10.229 -7.251 5.247 1.00 0.23 C ATOM 1530 O SER A 132 -9.961 -8.436 5.445 1.00 0.26 O ATOM 1531 CB SER A 132 -8.829 -5.390 6.168 1.00 0.27 C ATOM 1532 OG SER A 132 -9.928 -4.560 6.500 1.00 1.02 O ATOM 0 H SER A 132 -9.494 -4.396 3.999 1.00 0.20 H new ATOM 0 HA SER A 132 -8.224 -6.779 4.653 1.00 0.23 H new ATOM 0 HB2 SER A 132 -8.593 -6.040 7.011 1.00 0.27 H new ATOM 0 HB3 SER A 132 -7.948 -4.775 5.984 1.00 0.27 H new ATOM 0 HG SER A 132 -10.526 -4.484 5.727 1.00 1.02 H new ATOM 1538 N ASP A 133 -11.470 -6.770 5.299 1.00 0.23 N ATOM 1539 CA ASP A 133 -12.622 -7.620 5.581 1.00 0.26 C ATOM 1540 C ASP A 133 -12.687 -8.819 4.642 1.00 0.25 C ATOM 1541 O ASP A 133 -13.335 -9.819 4.945 1.00 0.36 O ATOM 1542 CB ASP A 133 -13.910 -6.808 5.456 1.00 0.28 C ATOM 1543 CG ASP A 133 -15.127 -7.576 5.933 1.00 0.33 C ATOM 1544 OD1 ASP A 133 -15.332 -7.658 7.163 1.00 0.37 O ATOM 1545 OD2 ASP A 133 -15.877 -8.091 5.078 1.00 0.37 O ATOM 0 H ASP A 133 -11.703 -5.788 5.148 1.00 0.23 H new ATOM 0 HA ASP A 133 -12.512 -7.994 6.599 1.00 0.26 H new ATOM 0 HB2 ASP A 133 -13.814 -5.889 6.034 1.00 0.28 H new ATOM 0 HB3 ASP A 133 -14.053 -6.516 4.415 1.00 0.28 H new ATOM 1550 N ILE A 134 -12.039 -8.710 3.493 1.00 0.16 N ATOM 1551 CA ILE A 134 -12.041 -9.802 2.522 1.00 0.16 C ATOM 1552 C ILE A 134 -10.906 -10.803 2.758 1.00 0.16 C ATOM 1553 O ILE A 134 -11.140 -12.010 2.784 1.00 0.26 O ATOM 1554 CB ILE A 134 -11.943 -9.276 1.075 1.00 0.17 C ATOM 1555 CG1 ILE A 134 -13.109 -8.332 0.770 1.00 0.17 C ATOM 1556 CG2 ILE A 134 -11.926 -10.441 0.093 1.00 0.22 C ATOM 1557 CD1 ILE A 134 -13.046 -7.711 -0.610 1.00 0.18 C ATOM 0 H ILE A 134 -11.509 -7.887 3.208 1.00 0.16 H new ATOM 0 HA ILE A 134 -12.992 -10.315 2.663 1.00 0.16 H new ATOM 0 HB ILE A 134 -11.013 -8.718 0.967 1.00 0.17 H new ATOM 0 HG12 ILE A 134 -14.045 -8.882 0.869 1.00 0.17 H new ATOM 0 HG13 ILE A 134 -13.126 -7.537 1.516 1.00 0.17 H new ATOM 0 HG21 ILE A 134 -11.857 -10.058 -0.925 1.00 0.22 H new ATOM 0 HG22 ILE A 134 -11.067 -11.079 0.300 1.00 0.22 H new ATOM 0 HG23 ILE A 134 -12.843 -11.021 0.201 1.00 0.22 H new ATOM 0 HD11 ILE A 134 -13.905 -7.055 -0.753 1.00 0.18 H new ATOM 0 HD12 ILE A 134 -12.127 -7.133 -0.707 1.00 0.18 H new ATOM 0 HD13 ILE A 134 -13.061 -8.498 -1.364 1.00 0.18 H new ATOM 1569 N VAL A 135 -9.685 -10.301 2.936 1.00 0.15 N ATOM 1570 CA VAL A 135 -8.517 -11.167 3.120 1.00 0.17 C ATOM 1571 C VAL A 135 -8.602 -12.093 4.338 1.00 0.19 C ATOM 1572 O VAL A 135 -8.366 -13.292 4.218 1.00 0.25 O ATOM 1573 CB VAL A 135 -7.201 -10.363 3.212 1.00 0.17 C ATOM 1574 CG1 VAL A 135 -7.402 -9.041 3.930 1.00 0.18 C ATOM 1575 CG2 VAL A 135 -6.138 -11.179 3.921 1.00 0.23 C ATOM 0 H VAL A 135 -9.477 -9.303 2.957 1.00 0.15 H new ATOM 0 HA VAL A 135 -8.516 -11.789 2.225 1.00 0.17 H new ATOM 0 HB VAL A 135 -6.874 -10.146 2.195 1.00 0.17 H new ATOM 0 HG11 VAL A 135 -6.455 -8.504 3.975 1.00 0.18 H new ATOM 0 HG12 VAL A 135 -8.134 -8.441 3.389 1.00 0.18 H new ATOM 0 HG13 VAL A 135 -7.762 -9.228 4.942 1.00 0.18 H new ATOM 0 HG21 VAL A 135 -5.215 -10.602 3.980 1.00 0.23 H new ATOM 0 HG22 VAL A 135 -6.478 -11.423 4.927 1.00 0.23 H new ATOM 0 HG23 VAL A 135 -5.956 -12.099 3.366 1.00 0.23 H new ATOM 1585 N GLN A 136 -8.920 -11.542 5.500 1.00 0.22 N ATOM 1586 CA GLN A 136 -8.972 -12.335 6.730 1.00 0.29 C ATOM 1587 C GLN A 136 -9.686 -13.672 6.524 1.00 0.42 C ATOM 1588 O GLN A 136 -9.113 -14.727 6.799 1.00 0.52 O ATOM 1589 CB GLN A 136 -9.612 -11.522 7.845 1.00 0.31 C ATOM 1590 CG GLN A 136 -8.822 -10.262 8.156 1.00 0.37 C ATOM 1591 CD GLN A 136 -9.646 -9.193 8.838 1.00 0.52 C ATOM 1592 OE1 GLN A 136 -10.571 -9.486 9.596 1.00 0.91 O ATOM 1593 NE2 GLN A 136 -9.311 -7.939 8.563 1.00 0.54 N ATOM 0 H GLN A 136 -9.146 -10.555 5.622 1.00 0.22 H new ATOM 0 HA GLN A 136 -7.950 -12.577 7.020 1.00 0.29 H new ATOM 0 HB2 GLN A 136 -10.628 -11.251 7.559 1.00 0.31 H new ATOM 0 HB3 GLN A 136 -9.686 -12.134 8.744 1.00 0.31 H new ATOM 0 HG2 GLN A 136 -7.976 -10.520 8.792 1.00 0.37 H new ATOM 0 HG3 GLN A 136 -8.413 -9.860 7.229 1.00 0.37 H new ATOM 0 HE21 GLN A 136 -8.536 -7.746 7.928 1.00 0.54 H new ATOM 0 HE22 GLN A 136 -9.828 -7.168 8.986 1.00 0.54 H new