USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 0 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 60 TYR OH : rot 110:sc= 0.692 USER MOD Set 1.2: A 81 TYR OH : rot -47:sc= 1.12 USER MOD Set 2.1: A 34 LYS NZ :NH3+ 165:sc= -1.47 (180deg=-1.49) USER MOD Set 2.2: A 46 GLN : amide:sc= 0 X(o=-1.5,f=-1.5) USER MOD Set 3.1: A 18 ASN : amide:sc= -0.136 K(o=-0.14,f=-3.7!) USER MOD Set 3.2: A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 63:sc= 0.545 USER MOD Single : A 15 GLN : amide:sc= -0.0427 X(o=-0.043,f=-0.043) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 170:sc= -0.0746 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.121) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -109:sc= 0.0249 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 120:sc= -0.0568 USER MOD Single : A 61 LYS NZ :NH3+ 150:sc= 0.0893 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 152:sc= -0.0178 (180deg=-0.921) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.4 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 96 LYS NZ :NH3+ -132:sc= -0.0509 (180deg=-0.136) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.442 X(o=-0.44,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 34 N ASN A 5 12.633 4.296 -10.993 1.00 0.00 N ATOM 35 CA ASN A 5 12.596 4.669 -9.548 1.00 0.00 C ATOM 36 C ASN A 5 11.595 3.746 -8.786 1.00 0.00 C ATOM 37 O ASN A 5 10.587 4.171 -8.210 1.00 0.00 O ATOM 38 CB ASN A 5 12.286 6.175 -9.483 1.00 0.00 C ATOM 39 CG ASN A 5 12.398 6.827 -8.093 1.00 0.00 C ATOM 40 OD1 ASN A 5 13.484 6.967 -7.531 1.00 0.00 O ATOM 41 ND2 ASN A 5 11.277 7.244 -7.521 1.00 0.00 N ATOM 0 HA ASN A 5 13.547 4.510 -9.040 1.00 0.00 H new ATOM 0 HB2 ASN A 5 12.962 6.695 -10.162 1.00 0.00 H new ATOM 0 HB3 ASN A 5 11.275 6.334 -9.857 1.00 0.00 H new ATOM 0 HD21 ASN A 5 11.307 7.688 -6.603 1.00 0.00 H new ATOM 0 HD22 ASN A 5 10.384 7.121 -7.999 1.00 0.00 H new ATOM 42 N ALA A 6 11.945 2.460 -8.832 1.00 0.00 N ATOM 43 CA ALA A 6 11.099 1.347 -8.342 1.00 0.00 C ATOM 44 C ALA A 6 11.820 0.469 -7.291 1.00 0.00 C ATOM 45 O ALA A 6 13.043 0.497 -7.113 1.00 0.00 O ATOM 46 CB ALA A 6 10.623 0.508 -9.552 1.00 0.00 C ATOM 0 H ALA A 6 12.837 2.147 -9.215 1.00 0.00 H new ATOM 0 HA ALA A 6 10.236 1.771 -7.829 1.00 0.00 H new ATOM 0 HB1 ALA A 6 9.999 -0.314 -9.202 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.046 1.139 -10.228 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.488 0.107 -10.080 1.00 0.00 H new ATOM 47 N LEU A 7 10.984 -0.294 -6.573 1.00 0.00 N ATOM 48 CA LEU A 7 11.357 -0.960 -5.310 1.00 0.00 C ATOM 49 C LEU A 7 10.989 -2.446 -5.476 1.00 0.00 C ATOM 50 O LEU A 7 9.811 -2.807 -5.573 1.00 0.00 O ATOM 51 CB LEU A 7 10.579 -0.246 -4.169 1.00 0.00 C ATOM 52 CG LEU A 7 10.849 -0.605 -2.675 1.00 0.00 C ATOM 53 CD1 LEU A 7 12.162 -1.353 -2.346 1.00 0.00 C ATOM 54 CD2 LEU A 7 10.788 0.668 -1.798 1.00 0.00 C ATOM 0 H LEU A 7 10.019 -0.470 -6.853 1.00 0.00 H new ATOM 0 HA LEU A 7 12.417 -0.902 -5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.758 0.824 -4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.517 -0.412 -4.352 1.00 0.00 H new ATOM 0 HG LEU A 7 10.054 -1.316 -2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 7 12.217 -1.537 -1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 7 12.182 -2.304 -2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.013 -0.746 -2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.978 0.403 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.543 1.379 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.800 1.121 -1.882 1.00 0.00 H new ATOM 55 N GLU A 8 12.024 -3.305 -5.485 1.00 0.00 N ATOM 56 CA GLU A 8 11.832 -4.778 -5.495 1.00 0.00 C ATOM 57 C GLU A 8 11.502 -5.226 -4.046 1.00 0.00 C ATOM 58 O GLU A 8 12.319 -5.173 -3.121 1.00 0.00 O ATOM 59 CB GLU A 8 13.023 -5.543 -6.103 1.00 0.00 C ATOM 60 CG GLU A 8 13.225 -5.284 -7.616 1.00 0.00 C ATOM 61 CD GLU A 8 14.302 -6.162 -8.250 1.00 0.00 C ATOM 62 OE1 GLU A 8 14.094 -7.391 -8.365 1.00 0.00 O ATOM 63 OE2 GLU A 8 15.359 -5.626 -8.652 1.00 0.00 O ATOM 0 H GLU A 8 13.001 -3.012 -5.486 1.00 0.00 H new ATOM 0 HA GLU A 8 11.000 -5.027 -6.153 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.932 -5.263 -5.571 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.877 -6.611 -5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.281 -5.452 -8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.488 -4.237 -7.765 1.00 0.00 H new ATOM 64 N THR A 9 10.224 -5.572 -3.906 1.00 0.00 N ATOM 65 CA THR A 9 9.516 -5.661 -2.607 1.00 0.00 C ATOM 66 C THR A 9 9.370 -7.181 -2.324 1.00 0.00 C ATOM 67 O THR A 9 8.523 -7.862 -2.907 1.00 0.00 O ATOM 68 CB THR A 9 8.175 -4.870 -2.728 1.00 0.00 C ATOM 69 OG1 THR A 9 8.420 -3.515 -3.093 1.00 0.00 O ATOM 70 CG2 THR A 9 7.345 -4.829 -1.451 1.00 0.00 C ATOM 0 H THR A 9 9.630 -5.805 -4.701 1.00 0.00 H new ATOM 0 HA THR A 9 10.036 -5.210 -1.762 1.00 0.00 H new ATOM 0 HB THR A 9 7.615 -5.414 -3.488 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.838 -3.485 -3.979 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.433 -4.259 -1.628 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.086 -5.845 -1.152 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.921 -4.353 -0.658 1.00 0.00 H new ATOM 71 N TRP A 10 10.271 -7.706 -1.480 1.00 0.00 N ATOM 72 CA TRP A 10 10.535 -9.169 -1.406 1.00 0.00 C ATOM 73 C TRP A 10 9.688 -9.820 -0.280 1.00 0.00 C ATOM 74 O TRP A 10 9.585 -9.294 0.835 1.00 0.00 O ATOM 75 CB TRP A 10 12.053 -9.445 -1.218 1.00 0.00 C ATOM 76 CG TRP A 10 12.934 -9.144 -2.444 1.00 0.00 C ATOM 77 CD1 TRP A 10 13.796 -8.037 -2.589 1.00 0.00 C ATOM 78 CD2 TRP A 10 13.078 -9.880 -3.608 1.00 0.00 C ATOM 79 NE1 TRP A 10 14.466 -8.057 -3.825 1.00 0.00 N ATOM 80 CE2 TRP A 10 14.007 -9.207 -4.441 1.00 0.00 C ATOM 81 CE3 TRP A 10 12.498 -11.107 -4.026 1.00 0.00 C ATOM 82 CZ2 TRP A 10 14.364 -9.757 -5.697 1.00 0.00 C ATOM 83 CZ3 TRP A 10 12.864 -11.628 -5.266 1.00 0.00 C ATOM 84 CH2 TRP A 10 13.782 -10.964 -6.089 1.00 0.00 C ATOM 0 H TRP A 10 10.833 -7.149 -0.836 1.00 0.00 H new ATOM 0 HA TRP A 10 10.235 -9.626 -2.349 1.00 0.00 H new ATOM 0 HB2 TRP A 10 12.412 -8.850 -0.378 1.00 0.00 H new ATOM 0 HB3 TRP A 10 12.184 -10.492 -0.946 1.00 0.00 H new ATOM 0 HD1 TRP A 10 13.926 -7.268 -1.842 1.00 0.00 H new ATOM 0 HE1 TRP A 10 15.137 -7.378 -4.185 1.00 0.00 H new ATOM 0 HE3 TRP A 10 11.789 -11.625 -3.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 15.072 -9.253 -6.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 12.432 -12.560 -5.598 1.00 0.00 H new ATOM 0 HH2 TRP A 10 14.045 -11.393 -7.045 1.00 0.00 H new ATOM 85 N GLY A 11 9.083 -10.974 -0.604 1.00 0.00 N ATOM 86 CA GLY A 11 8.159 -11.673 0.313 1.00 0.00 C ATOM 87 C GLY A 11 7.865 -13.103 -0.165 1.00 0.00 C ATOM 88 O GLY A 11 7.439 -13.314 -1.304 1.00 0.00 O ATOM 0 H GLY A 11 9.216 -11.447 -1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.592 -11.704 1.313 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.226 -11.114 0.387 1.00 0.00 H new ATOM 89 N ALA A 12 8.040 -14.077 0.744 1.00 0.00 N ATOM 90 CA ALA A 12 7.717 -15.503 0.482 1.00 0.00 C ATOM 91 C ALA A 12 6.187 -15.775 0.383 1.00 0.00 C ATOM 92 O ALA A 12 5.386 -15.166 1.099 1.00 0.00 O ATOM 93 CB ALA A 12 8.338 -16.342 1.620 1.00 0.00 C ATOM 0 H ALA A 12 8.408 -13.906 1.680 1.00 0.00 H new ATOM 0 HA ALA A 12 8.131 -15.779 -0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.118 -17.397 1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.418 -16.194 1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.917 -16.028 2.575 1.00 0.00 H new ATOM 94 N LEU A 13 5.794 -16.697 -0.515 1.00 0.00 N ATOM 95 CA LEU A 13 4.362 -17.006 -0.786 1.00 0.00 C ATOM 96 C LEU A 13 3.718 -17.820 0.386 1.00 0.00 C ATOM 97 O LEU A 13 4.370 -18.659 1.021 1.00 0.00 O ATOM 98 CB LEU A 13 4.197 -17.559 -2.237 1.00 0.00 C ATOM 99 CG LEU A 13 3.955 -19.069 -2.512 1.00 0.00 C ATOM 100 CD1 LEU A 13 3.707 -19.478 -3.980 1.00 0.00 C ATOM 101 CD2 LEU A 13 5.162 -19.849 -2.070 1.00 0.00 C ATOM 0 H LEU A 13 6.446 -17.248 -1.073 1.00 0.00 H new ATOM 0 HA LEU A 13 3.758 -16.099 -0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.365 -17.018 -2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.095 -17.278 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 13 3.039 -19.285 -1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.553 -20.556 -4.036 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.822 -18.964 -4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.571 -19.203 -4.585 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.999 -20.910 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.037 -19.511 -2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.326 -19.692 -1.004 1.00 0.00 H new ATOM 102 N GLY A 14 2.454 -17.517 0.709 1.00 0.00 N ATOM 103 CA GLY A 14 1.803 -17.997 1.954 1.00 0.00 C ATOM 104 C GLY A 14 2.180 -17.152 3.187 1.00 0.00 C ATOM 105 O GLY A 14 2.777 -17.687 4.125 1.00 0.00 O ATOM 0 H GLY A 14 1.850 -16.937 0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.721 -17.979 1.823 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.086 -19.035 2.130 1.00 0.00 H new ATOM 106 N GLN A 15 1.904 -15.830 3.136 1.00 0.00 N ATOM 107 CA GLN A 15 2.527 -14.855 4.098 1.00 0.00 C ATOM 108 C GLN A 15 1.990 -13.402 3.938 1.00 0.00 C ATOM 109 O GLN A 15 1.672 -12.940 2.835 1.00 0.00 O ATOM 110 CB GLN A 15 4.100 -14.839 4.055 1.00 0.00 C ATOM 111 CG GLN A 15 4.829 -14.494 5.376 1.00 0.00 C ATOM 112 CD GLN A 15 4.594 -15.491 6.526 1.00 0.00 C ATOM 113 OE1 GLN A 15 3.747 -15.277 7.393 1.00 0.00 O ATOM 114 NE2 GLN A 15 5.326 -16.597 6.560 1.00 0.00 N ATOM 0 H GLN A 15 1.269 -15.407 2.459 1.00 0.00 H new ATOM 0 HA GLN A 15 2.221 -15.230 5.075 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.441 -15.820 3.725 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.412 -14.121 3.297 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.899 -14.435 5.179 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.510 -13.504 5.702 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.026 -16.768 5.838 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.189 -17.277 7.308 1.00 0.00 H new ATOM 115 N ASP A 16 1.915 -12.689 5.082 1.00 0.00 N ATOM 116 CA ASP A 16 1.460 -11.274 5.160 1.00 0.00 C ATOM 117 C ASP A 16 2.585 -10.299 4.712 1.00 0.00 C ATOM 118 O ASP A 16 3.719 -10.440 5.189 1.00 0.00 O ATOM 119 CB ASP A 16 1.046 -10.908 6.610 1.00 0.00 C ATOM 120 CG ASP A 16 -0.133 -11.683 7.215 1.00 0.00 C ATOM 121 OD1 ASP A 16 0.097 -12.770 7.794 1.00 0.00 O ATOM 122 OD2 ASP A 16 -1.285 -11.208 7.124 1.00 0.00 O ATOM 0 H ASP A 16 2.170 -13.079 5.990 1.00 0.00 H new ATOM 0 HA ASP A 16 0.604 -11.176 4.493 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.912 -11.051 7.256 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.802 -9.846 6.635 1.00 0.00 H new ATOM 123 N ILE A 17 2.291 -9.317 3.830 1.00 0.00 N ATOM 124 CA ILE A 17 3.352 -8.370 3.337 1.00 0.00 C ATOM 125 C ILE A 17 2.798 -6.924 3.076 1.00 0.00 C ATOM 126 O ILE A 17 1.874 -6.719 2.287 1.00 0.00 O ATOM 127 CB ILE A 17 4.180 -9.027 2.172 1.00 0.00 C ATOM 128 CG1 ILE A 17 5.618 -8.461 1.963 1.00 0.00 C ATOM 129 CG2 ILE A 17 3.411 -9.199 0.850 1.00 0.00 C ATOM 130 CD1 ILE A 17 5.779 -6.993 1.536 1.00 0.00 C ATOM 0 H ILE A 17 1.361 -9.151 3.446 1.00 0.00 H new ATOM 0 HA ILE A 17 4.079 -8.197 4.130 1.00 0.00 H new ATOM 0 HB ILE A 17 4.337 -10.036 2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.165 -8.596 2.896 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.111 -9.079 1.213 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.063 -9.659 0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.542 -9.836 1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.083 -8.224 0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.838 -6.758 1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.279 -6.835 0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.334 -6.344 2.290 1.00 0.00 H new ATOM 131 N ASN A 18 3.422 -5.930 3.741 1.00 0.00 N ATOM 132 CA ASN A 18 2.921 -4.531 3.855 1.00 0.00 C ATOM 133 C ASN A 18 3.446 -3.539 2.755 1.00 0.00 C ATOM 134 O ASN A 18 4.614 -3.603 2.357 1.00 0.00 O ATOM 135 CB ASN A 18 3.372 -4.098 5.289 1.00 0.00 C ATOM 136 CG ASN A 18 2.955 -2.702 5.774 1.00 0.00 C ATOM 137 OD1 ASN A 18 3.791 -1.808 5.886 1.00 0.00 O ATOM 138 ND2 ASN A 18 1.683 -2.492 6.074 1.00 0.00 N ATOM 0 H ASN A 18 4.308 -6.073 4.226 1.00 0.00 H new ATOM 0 HA ASN A 18 1.843 -4.497 3.697 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.985 -4.830 5.998 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.460 -4.157 5.331 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.382 -1.575 6.405 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.004 -3.247 5.974 1.00 0.00 H new ATOM 139 N LEU A 19 2.590 -2.562 2.354 1.00 0.00 N ATOM 140 CA LEU A 19 3.005 -1.337 1.604 1.00 0.00 C ATOM 141 C LEU A 19 2.671 -0.058 2.420 1.00 0.00 C ATOM 142 O LEU A 19 1.758 0.690 2.061 1.00 0.00 O ATOM 143 CB LEU A 19 2.404 -1.234 0.157 1.00 0.00 C ATOM 144 CG LEU A 19 3.138 -1.999 -0.973 1.00 0.00 C ATOM 145 CD1 LEU A 19 4.672 -1.851 -1.006 1.00 0.00 C ATOM 146 CD2 LEU A 19 2.760 -3.461 -1.070 1.00 0.00 C ATOM 0 H LEU A 19 1.588 -2.598 2.541 1.00 0.00 H new ATOM 0 HA LEU A 19 4.084 -1.423 1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.375 -1.591 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.366 -0.180 -0.118 1.00 0.00 H new ATOM 0 HG LEU A 19 2.765 -1.482 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.076 -2.429 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.934 -0.801 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.093 -2.218 -0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.315 -3.927 -1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.001 -3.962 -0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.691 -3.548 -1.264 1.00 0.00 H new ATOM 147 N ASP A 20 3.476 0.237 3.460 1.00 0.00 N ATOM 148 CA ASP A 20 3.420 1.533 4.189 1.00 0.00 C ATOM 149 C ASP A 20 4.422 2.499 3.492 1.00 0.00 C ATOM 150 O ASP A 20 5.625 2.228 3.430 1.00 0.00 O ATOM 151 CB ASP A 20 3.728 1.308 5.692 1.00 0.00 C ATOM 152 CG ASP A 20 3.574 2.553 6.580 1.00 0.00 C ATOM 153 OD1 ASP A 20 2.426 2.933 6.893 1.00 0.00 O ATOM 154 OD2 ASP A 20 4.603 3.147 6.965 1.00 0.00 O ATOM 0 H ASP A 20 4.180 -0.407 3.821 1.00 0.00 H new ATOM 0 HA ASP A 20 2.426 1.980 4.153 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.068 0.527 6.070 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.748 0.937 5.787 1.00 0.00 H new ATOM 155 N ILE A 21 3.886 3.606 2.952 1.00 0.00 N ATOM 156 CA ILE A 21 4.623 4.492 1.994 1.00 0.00 C ATOM 157 C ILE A 21 5.909 5.168 2.609 1.00 0.00 C ATOM 158 O ILE A 21 5.766 5.841 3.634 1.00 0.00 O ATOM 159 CB ILE A 21 3.689 5.526 1.266 1.00 0.00 C ATOM 160 CG1 ILE A 21 3.090 6.675 2.145 1.00 0.00 C ATOM 161 CG2 ILE A 21 2.571 4.831 0.453 1.00 0.00 C ATOM 162 CD1 ILE A 21 3.867 7.999 2.059 1.00 0.00 C ATOM 0 H ILE A 21 2.938 3.923 3.156 1.00 0.00 H new ATOM 0 HA ILE A 21 4.992 3.817 1.222 1.00 0.00 H new ATOM 0 HB ILE A 21 4.380 6.031 0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.058 6.851 1.841 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.064 6.348 3.184 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.951 5.585 -0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.018 4.187 -0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.955 4.230 1.122 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.389 8.743 2.696 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.893 7.841 2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.871 8.352 1.028 1.00 0.00 H new ATOM 163 N PRO A 22 7.153 5.016 2.056 1.00 0.00 N ATOM 164 CA PRO A 22 8.385 5.587 2.669 1.00 0.00 C ATOM 165 C PRO A 22 8.791 6.994 2.133 1.00 0.00 C ATOM 166 O PRO A 22 8.364 7.446 1.065 1.00 0.00 O ATOM 167 CB PRO A 22 9.423 4.505 2.300 1.00 0.00 C ATOM 168 CG PRO A 22 8.987 4.003 0.926 1.00 0.00 C ATOM 169 CD PRO A 22 7.460 4.042 0.988 1.00 0.00 C ATOM 0 HA PRO A 22 8.272 5.782 3.735 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.431 4.918 2.269 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.431 3.698 3.032 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.371 4.639 0.128 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.353 2.995 0.734 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.033 4.352 0.034 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.048 3.059 1.218 1.00 0.00 H new ATOM 170 N SER A 23 9.689 7.646 2.900 1.00 0.00 N ATOM 171 CA SER A 23 10.393 8.908 2.520 1.00 0.00 C ATOM 172 C SER A 23 9.476 10.129 2.195 1.00 0.00 C ATOM 173 O SER A 23 9.623 10.795 1.164 1.00 0.00 O ATOM 174 CB SER A 23 11.488 8.649 1.454 1.00 0.00 C ATOM 175 OG SER A 23 12.427 7.665 1.875 1.00 0.00 O ATOM 0 H SER A 23 9.958 7.309 3.825 1.00 0.00 H new ATOM 0 HA SER A 23 10.893 9.234 3.432 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.019 8.327 0.525 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.012 9.581 1.240 1.00 0.00 H new ATOM 0 HG SER A 23 13.098 7.532 1.173 1.00 0.00 H new ATOM 176 N PHE A 24 8.535 10.422 3.111 1.00 0.00 N ATOM 177 CA PHE A 24 7.605 11.576 2.998 1.00 0.00 C ATOM 178 C PHE A 24 6.993 11.810 4.405 1.00 0.00 C ATOM 179 O PHE A 24 6.332 10.924 4.959 1.00 0.00 O ATOM 180 CB PHE A 24 6.498 11.336 1.927 1.00 0.00 C ATOM 181 CG PHE A 24 5.691 12.584 1.519 1.00 0.00 C ATOM 182 CD1 PHE A 24 6.173 13.432 0.516 1.00 0.00 C ATOM 183 CD2 PHE A 24 4.461 12.868 2.122 1.00 0.00 C ATOM 184 CE1 PHE A 24 5.431 14.541 0.114 1.00 0.00 C ATOM 185 CE2 PHE A 24 3.722 13.980 1.725 1.00 0.00 C ATOM 186 CZ PHE A 24 4.205 14.810 0.718 1.00 0.00 C ATOM 0 H PHE A 24 8.392 9.868 3.955 1.00 0.00 H new ATOM 0 HA PHE A 24 8.148 12.460 2.663 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.964 10.918 1.035 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.806 10.585 2.307 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.126 13.226 0.051 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.082 12.221 2.900 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.805 15.190 -0.664 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.776 14.198 2.198 1.00 0.00 H new ATOM 0 HZ PHE A 24 3.627 15.666 0.403 1.00 0.00 H new ATOM 187 N GLN A 25 7.176 13.027 4.951 1.00 0.00 N ATOM 188 CA GLN A 25 6.571 13.426 6.250 1.00 0.00 C ATOM 189 C GLN A 25 5.069 13.797 6.086 1.00 0.00 C ATOM 190 O GLN A 25 4.713 14.696 5.318 1.00 0.00 O ATOM 191 CB GLN A 25 7.401 14.535 6.958 1.00 0.00 C ATOM 192 CG GLN A 25 7.587 15.889 6.227 1.00 0.00 C ATOM 193 CD GLN A 25 8.346 16.934 7.062 1.00 0.00 C ATOM 194 OE1 GLN A 25 7.741 17.750 7.757 1.00 0.00 O ATOM 195 NE2 GLN A 25 9.669 16.942 7.005 1.00 0.00 N ATOM 0 H GLN A 25 7.739 13.758 4.516 1.00 0.00 H new ATOM 0 HA GLN A 25 6.603 12.561 6.913 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.933 14.738 7.921 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.391 14.129 7.165 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.125 15.719 5.294 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.608 16.288 5.962 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.159 16.260 6.425 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.198 17.630 7.541 1.00 0.00 H new ATOM 196 N MET A 26 4.196 13.081 6.821 1.00 0.00 N ATOM 197 CA MET A 26 2.735 13.348 6.834 1.00 0.00 C ATOM 198 C MET A 26 2.412 14.457 7.875 1.00 0.00 C ATOM 199 O MET A 26 2.817 14.374 9.042 1.00 0.00 O ATOM 200 CB MET A 26 1.977 12.025 7.126 1.00 0.00 C ATOM 201 CG MET A 26 0.457 12.084 6.900 1.00 0.00 C ATOM 202 SD MET A 26 -0.243 10.436 7.135 1.00 0.00 S ATOM 203 CE MET A 26 -1.965 10.717 6.674 1.00 0.00 C ATOM 0 H MET A 26 4.476 12.305 7.421 1.00 0.00 H new ATOM 0 HA MET A 26 2.405 13.713 5.861 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.393 11.239 6.496 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.165 11.737 8.160 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.001 12.788 7.596 1.00 0.00 H new ATOM 0 HG3 MET A 26 0.241 12.444 5.894 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.524 9.786 6.769 1.00 0.00 H new ATOM 0 HE2 MET A 26 -2.399 11.470 7.332 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.013 11.065 5.642 1.00 0.00 H new ATOM 204 N SER A 27 1.669 15.479 7.424 1.00 0.00 N ATOM 205 CA SER A 27 1.193 16.587 8.297 1.00 0.00 C ATOM 206 C SER A 27 -0.362 16.528 8.302 1.00 0.00 C ATOM 207 O SER A 27 -0.904 15.603 8.918 1.00 0.00 O ATOM 208 CB SER A 27 1.876 17.922 7.901 1.00 0.00 C ATOM 209 OG SER A 27 3.271 17.884 8.179 1.00 0.00 O ATOM 0 H SER A 27 1.377 15.570 6.451 1.00 0.00 H new ATOM 0 HA SER A 27 1.491 16.489 9.341 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.718 18.114 6.840 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.415 18.746 8.446 1.00 0.00 H new ATOM 0 HG SER A 27 3.680 18.736 7.919 1.00 0.00 H new ATOM 210 N ASP A 28 -1.080 17.462 7.641 1.00 0.00 N ATOM 211 CA ASP A 28 -2.567 17.390 7.500 1.00 0.00 C ATOM 212 C ASP A 28 -3.112 18.126 6.231 1.00 0.00 C ATOM 213 O ASP A 28 -4.092 18.876 6.314 1.00 0.00 O ATOM 214 CB ASP A 28 -3.304 17.753 8.828 1.00 0.00 C ATOM 215 CG ASP A 28 -3.132 19.182 9.374 1.00 0.00 C ATOM 216 OD1 ASP A 28 -2.107 19.462 10.033 1.00 0.00 O ATOM 217 OD2 ASP A 28 -4.029 20.029 9.148 1.00 0.00 O ATOM 0 H ASP A 28 -0.662 18.278 7.194 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.810 16.344 7.314 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.369 17.577 8.679 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.970 17.057 9.598 1.00 0.00 H new ATOM 218 N ASP A 29 -2.544 17.849 5.037 1.00 0.00 N ATOM 219 CA ASP A 29 -3.223 18.123 3.735 1.00 0.00 C ATOM 220 C ASP A 29 -2.821 17.044 2.676 1.00 0.00 C ATOM 221 O ASP A 29 -2.283 17.366 1.612 1.00 0.00 O ATOM 222 CB ASP A 29 -2.989 19.601 3.294 1.00 0.00 C ATOM 223 CG ASP A 29 -3.912 20.067 2.158 1.00 0.00 C ATOM 224 OD1 ASP A 29 -5.100 20.354 2.424 1.00 0.00 O ATOM 225 OD2 ASP A 29 -3.454 20.141 0.995 1.00 0.00 O ATOM 0 H ASP A 29 -1.617 17.436 4.940 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.303 18.030 3.845 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.132 20.253 4.155 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.953 19.715 2.976 1.00 0.00 H new ATOM 226 N ILE A 30 -3.120 15.765 2.974 1.00 0.00 N ATOM 227 CA ILE A 30 -2.902 14.614 2.061 1.00 0.00 C ATOM 228 C ILE A 30 -3.909 13.530 2.537 1.00 0.00 C ATOM 229 O ILE A 30 -3.665 12.828 3.526 1.00 0.00 O ATOM 230 CB ILE A 30 -1.439 14.051 1.902 1.00 0.00 C ATOM 231 CG1 ILE A 30 -0.549 13.852 3.169 1.00 0.00 C ATOM 232 CG2 ILE A 30 -0.670 14.741 0.755 1.00 0.00 C ATOM 233 CD1 ILE A 30 -0.075 15.103 3.935 1.00 0.00 C ATOM 0 H ILE A 30 -3.527 15.493 3.869 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.068 14.962 1.041 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.653 13.014 1.642 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.102 13.224 3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.336 13.291 2.868 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.333 14.320 0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.198 14.581 -0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.601 15.810 0.955 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.532 14.799 4.788 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.519 15.732 3.272 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.941 15.664 4.287 1.00 0.00 H new ATOM 234 N ASP A 31 -5.046 13.421 1.825 1.00 0.00 N ATOM 235 CA ASP A 31 -6.139 12.470 2.169 1.00 0.00 C ATOM 236 C ASP A 31 -5.997 11.109 1.427 1.00 0.00 C ATOM 237 O ASP A 31 -6.007 10.060 2.075 1.00 0.00 O ATOM 238 CB ASP A 31 -7.521 13.130 1.894 1.00 0.00 C ATOM 239 CG ASP A 31 -8.723 12.434 2.549 1.00 0.00 C ATOM 240 OD1 ASP A 31 -9.076 11.306 2.134 1.00 0.00 O ATOM 241 OD2 ASP A 31 -9.321 13.013 3.482 1.00 0.00 O ATOM 0 H ASP A 31 -5.240 13.984 0.997 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.063 12.243 3.232 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.487 14.163 2.240 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.683 13.160 0.816 1.00 0.00 H new ATOM 242 N ASP A 32 -5.961 11.134 0.081 1.00 0.00 N ATOM 243 CA ASP A 32 -6.353 9.977 -0.768 1.00 0.00 C ATOM 244 C ASP A 32 -5.140 9.051 -1.093 1.00 0.00 C ATOM 245 O ASP A 32 -3.993 9.501 -1.175 1.00 0.00 O ATOM 246 CB ASP A 32 -7.046 10.534 -2.039 1.00 0.00 C ATOM 247 CG ASP A 32 -8.385 11.274 -1.850 1.00 0.00 C ATOM 248 OD1 ASP A 32 -9.156 10.937 -0.920 1.00 0.00 O ATOM 249 OD2 ASP A 32 -8.673 12.202 -2.638 1.00 0.00 O ATOM 0 H ASP A 32 -5.662 11.950 -0.453 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.053 9.337 -0.230 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.351 11.215 -2.530 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.214 9.702 -2.723 1.00 0.00 H new ATOM 250 N ILE A 33 -5.416 7.735 -1.212 1.00 0.00 N ATOM 251 CA ILE A 33 -4.362 6.672 -1.153 1.00 0.00 C ATOM 252 C ILE A 33 -4.655 5.705 -2.333 1.00 0.00 C ATOM 253 O ILE A 33 -5.757 5.154 -2.394 1.00 0.00 O ATOM 254 CB ILE A 33 -4.304 5.869 0.210 1.00 0.00 C ATOM 255 CG1 ILE A 33 -4.481 6.678 1.535 1.00 0.00 C ATOM 256 CG2 ILE A 33 -2.986 5.055 0.307 1.00 0.00 C ATOM 257 CD1 ILE A 33 -5.940 6.903 1.964 1.00 0.00 C ATOM 0 H ILE A 33 -6.359 7.372 -1.350 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.386 7.151 -1.224 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.189 5.236 0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.958 6.155 2.336 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.998 7.648 1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.964 4.510 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.933 4.349 -0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.135 5.734 0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.962 7.473 2.893 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.467 7.456 1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.427 5.940 2.117 1.00 0.00 H new ATOM 258 N LYS A 34 -3.694 5.475 -3.251 1.00 0.00 N ATOM 259 CA LYS A 34 -3.967 4.700 -4.496 1.00 0.00 C ATOM 260 C LYS A 34 -2.844 3.684 -4.797 1.00 0.00 C ATOM 261 O LYS A 34 -1.667 4.034 -4.753 1.00 0.00 O ATOM 262 CB LYS A 34 -4.177 5.598 -5.777 1.00 0.00 C ATOM 263 CG LYS A 34 -4.473 7.116 -5.657 1.00 0.00 C ATOM 264 CD LYS A 34 -5.912 7.533 -5.310 1.00 0.00 C ATOM 265 CE LYS A 34 -6.850 7.481 -6.526 1.00 0.00 C ATOM 266 NZ LYS A 34 -8.202 7.945 -6.178 1.00 0.00 N ATOM 0 H LYS A 34 -2.733 5.806 -3.164 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.903 4.182 -4.289 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.279 5.496 -6.387 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.998 5.158 -6.343 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.810 7.529 -4.896 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.205 7.587 -6.603 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.298 6.878 -4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.906 8.544 -4.903 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.446 8.100 -7.327 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.900 6.461 -6.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.736 8.141 -7.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.691 7.209 -5.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.135 8.813 -5.610 1.00 0.00 H new ATOM 267 N TRP A 35 -3.240 2.453 -5.164 1.00 0.00 N ATOM 268 CA TRP A 35 -2.299 1.352 -5.494 1.00 0.00 C ATOM 269 C TRP A 35 -2.834 0.632 -6.771 1.00 0.00 C ATOM 270 O TRP A 35 -3.956 0.096 -6.802 1.00 0.00 O ATOM 271 CB TRP A 35 -2.106 0.410 -4.273 1.00 0.00 C ATOM 272 CG TRP A 35 -1.179 0.976 -3.163 1.00 0.00 C ATOM 273 CD1 TRP A 35 -1.508 1.562 -1.935 1.00 0.00 C ATOM 274 CD2 TRP A 35 0.187 0.976 -3.158 1.00 0.00 C ATOM 275 NE1 TRP A 35 -0.393 1.945 -1.178 1.00 0.00 N ATOM 276 CE2 TRP A 35 0.660 1.614 -1.987 1.00 0.00 C ATOM 277 CE3 TRP A 35 1.063 0.295 -3.987 1.00 0.00 C ATOM 278 CZ2 TRP A 35 2.047 1.645 -1.713 1.00 0.00 C ATOM 279 CZ3 TRP A 35 2.419 0.294 -3.701 1.00 0.00 C ATOM 280 CH2 TRP A 35 2.902 0.953 -2.568 1.00 0.00 C ATOM 0 H TRP A 35 -4.221 2.186 -5.242 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.302 1.734 -5.716 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.082 0.195 -3.839 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -1.696 -0.538 -4.622 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.525 1.705 -1.602 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.371 2.368 -0.250 1.00 0.00 H new ATOM 0 HE3 TRP A 35 0.691 -0.233 -4.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.433 2.190 -0.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 3.106 -0.219 -4.358 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.960 0.926 -2.350 1.00 0.00 H new ATOM 281 N GLU A 36 -1.998 0.699 -7.831 1.00 0.00 N ATOM 282 CA GLU A 36 -2.379 0.389 -9.243 1.00 0.00 C ATOM 283 C GLU A 36 -1.271 -0.466 -9.952 1.00 0.00 C ATOM 284 O GLU A 36 -0.146 -0.526 -9.464 1.00 0.00 O ATOM 285 CB GLU A 36 -2.590 1.713 -10.045 1.00 0.00 C ATOM 286 CG GLU A 36 -3.597 2.751 -9.486 1.00 0.00 C ATOM 287 CD GLU A 36 -3.859 3.917 -10.444 1.00 0.00 C ATOM 288 OE1 GLU A 36 -4.350 3.684 -11.569 1.00 0.00 O ATOM 289 OE2 GLU A 36 -3.582 5.079 -10.070 1.00 0.00 O ATOM 0 H GLU A 36 -1.020 0.974 -7.736 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.306 -0.183 -9.220 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.622 2.204 -10.139 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.911 1.446 -11.052 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.540 2.251 -9.267 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.218 3.143 -8.542 1.00 0.00 H new ATOM 290 N LYS A 37 -1.531 -1.103 -11.121 1.00 0.00 N ATOM 291 CA LYS A 37 -0.493 -1.928 -11.829 1.00 0.00 C ATOM 292 C LYS A 37 0.519 -1.053 -12.638 1.00 0.00 C ATOM 293 O LYS A 37 0.144 0.003 -13.161 1.00 0.00 O ATOM 294 CB LYS A 37 -1.153 -2.958 -12.796 1.00 0.00 C ATOM 295 CG LYS A 37 -2.034 -4.072 -12.183 1.00 0.00 C ATOM 296 CD LYS A 37 -1.340 -5.102 -11.267 1.00 0.00 C ATOM 297 CE LYS A 37 -0.213 -5.952 -11.891 1.00 0.00 C ATOM 298 NZ LYS A 37 -0.698 -6.894 -12.919 1.00 0.00 N ATOM 0 H LYS A 37 -2.433 -1.069 -11.596 1.00 0.00 H new ATOM 0 HA LYS A 37 0.054 -2.454 -11.047 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.764 -2.403 -13.508 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.357 -3.438 -13.366 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.830 -3.595 -11.611 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.509 -4.614 -13.001 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.927 -4.569 -10.411 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.102 -5.780 -10.883 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.530 -5.289 -12.336 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.290 -6.512 -11.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.104 -7.435 -13.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.386 -7.548 -12.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.154 -6.363 -13.688 1.00 0.00 H new ATOM 299 N THR A 38 1.783 -1.522 -12.794 1.00 0.00 N ATOM 300 CA THR A 38 2.770 -0.852 -13.705 1.00 0.00 C ATOM 301 C THR A 38 2.465 -1.068 -15.224 1.00 0.00 C ATOM 302 O THR A 38 2.036 -0.117 -15.887 1.00 0.00 O ATOM 303 CB THR A 38 4.269 -1.153 -13.376 1.00 0.00 C ATOM 304 OG1 THR A 38 4.540 -2.546 -13.464 1.00 0.00 O ATOM 305 CG2 THR A 38 4.754 -0.648 -12.013 1.00 0.00 C ATOM 0 H THR A 38 2.146 -2.346 -12.314 1.00 0.00 H new ATOM 0 HA THR A 38 2.625 0.208 -13.495 1.00 0.00 H new ATOM 0 HB THR A 38 4.821 -0.593 -14.131 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.507 -2.695 -13.414 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.805 -0.907 -11.882 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.638 0.435 -11.964 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.165 -1.112 -11.222 1.00 0.00 H new ATOM 306 N SER A 39 2.706 -2.277 -15.775 1.00 0.00 N ATOM 307 CA SER A 39 2.669 -2.537 -17.242 1.00 0.00 C ATOM 308 C SER A 39 1.272 -2.441 -17.916 1.00 0.00 C ATOM 309 O SER A 39 1.155 -1.798 -18.961 1.00 0.00 O ATOM 310 CB SER A 39 3.385 -3.868 -17.571 1.00 0.00 C ATOM 311 OG SER A 39 2.723 -4.994 -17.003 1.00 0.00 O ATOM 0 H SER A 39 2.932 -3.103 -15.222 1.00 0.00 H new ATOM 0 HA SER A 39 3.215 -1.708 -17.691 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.441 -3.990 -18.653 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.410 -3.828 -17.202 1.00 0.00 H new ATOM 0 HG SER A 39 3.209 -5.812 -17.238 1.00 0.00 H new ATOM 312 N ASP A 40 0.225 -3.033 -17.309 1.00 0.00 N ATOM 313 CA ASP A 40 -1.185 -2.804 -17.733 1.00 0.00 C ATOM 314 C ASP A 40 -1.718 -1.354 -17.495 1.00 0.00 C ATOM 315 O ASP A 40 -2.521 -0.887 -18.311 1.00 0.00 O ATOM 316 CB ASP A 40 -2.146 -3.815 -17.041 1.00 0.00 C ATOM 317 CG ASP A 40 -1.930 -5.300 -17.368 1.00 0.00 C ATOM 318 OD1 ASP A 40 -2.175 -5.707 -18.525 1.00 0.00 O ATOM 319 OD2 ASP A 40 -1.528 -6.065 -16.464 1.00 0.00 O ATOM 0 H ASP A 40 0.321 -3.675 -16.522 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.170 -2.957 -18.812 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.057 -3.687 -15.962 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.169 -3.552 -17.310 1.00 0.00 H new ATOM 320 N LYS A 41 -1.346 -0.676 -16.379 1.00 0.00 N ATOM 321 CA LYS A 41 -2.059 0.532 -15.868 1.00 0.00 C ATOM 322 C LYS A 41 -3.511 0.156 -15.441 1.00 0.00 C ATOM 323 O LYS A 41 -4.480 0.469 -16.140 1.00 0.00 O ATOM 324 CB LYS A 41 -1.928 1.749 -16.826 1.00 0.00 C ATOM 325 CG LYS A 41 -2.413 3.089 -16.224 1.00 0.00 C ATOM 326 CD LYS A 41 -2.202 4.292 -17.164 1.00 0.00 C ATOM 327 CE LYS A 41 -2.650 5.627 -16.528 1.00 0.00 C ATOM 328 NZ LYS A 41 -2.499 6.756 -17.461 1.00 0.00 N ATOM 0 H LYS A 41 -0.546 -0.947 -15.807 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.570 0.886 -14.961 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.884 1.854 -17.121 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.497 1.545 -17.733 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.473 3.008 -15.981 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.885 3.271 -15.288 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.148 4.358 -17.434 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.758 4.129 -18.087 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.692 5.550 -16.217 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.062 5.817 -15.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.810 7.633 -16.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.501 6.846 -17.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.080 6.587 -18.307 1.00 0.00 H new ATOM 329 N LYS A 42 -3.618 -0.582 -14.321 1.00 0.00 N ATOM 330 CA LYS A 42 -4.888 -1.206 -13.885 1.00 0.00 C ATOM 331 C LYS A 42 -4.982 -1.033 -12.359 1.00 0.00 C ATOM 332 O LYS A 42 -4.299 -1.730 -11.606 1.00 0.00 O ATOM 333 CB LYS A 42 -4.986 -2.690 -14.354 1.00 0.00 C ATOM 334 CG LYS A 42 -6.353 -3.364 -14.068 1.00 0.00 C ATOM 335 CD LYS A 42 -6.419 -4.893 -14.291 1.00 0.00 C ATOM 336 CE LYS A 42 -6.600 -5.384 -15.741 1.00 0.00 C ATOM 337 NZ LYS A 42 -5.365 -5.371 -16.545 1.00 0.00 N ATOM 0 H LYS A 42 -2.834 -0.764 -13.694 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.745 -0.718 -14.348 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.791 -2.733 -15.425 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.201 -3.266 -13.863 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.628 -3.156 -13.034 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.106 -2.893 -14.699 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.502 -5.332 -13.897 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.243 -5.287 -13.695 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.996 -6.399 -15.721 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.346 -4.760 -16.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.520 -5.898 -17.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.107 -4.389 -16.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.595 -5.818 -16.006 1.00 0.00 H new ATOM 338 N LYS A 43 -5.885 -0.142 -11.914 1.00 0.00 N ATOM 339 CA LYS A 43 -6.187 0.073 -10.478 1.00 0.00 C ATOM 340 C LYS A 43 -6.665 -1.224 -9.772 1.00 0.00 C ATOM 341 O LYS A 43 -7.804 -1.666 -9.966 1.00 0.00 O ATOM 342 CB LYS A 43 -7.125 1.298 -10.269 1.00 0.00 C ATOM 343 CG LYS A 43 -8.497 1.353 -10.992 1.00 0.00 C ATOM 344 CD LYS A 43 -8.459 1.988 -12.402 1.00 0.00 C ATOM 345 CE LYS A 43 -9.808 2.002 -13.145 1.00 0.00 C ATOM 346 NZ LYS A 43 -10.221 0.667 -13.624 1.00 0.00 N ATOM 0 H LYS A 43 -6.430 0.453 -12.537 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.253 0.329 -9.977 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.318 1.381 -9.199 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.568 2.188 -10.562 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.890 0.340 -11.075 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.196 1.916 -10.374 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.099 3.013 -12.313 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.733 1.447 -13.008 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.577 2.397 -12.481 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.741 2.681 -13.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.135 0.742 -14.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.504 0.297 -14.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.315 0.021 -12.814 1.00 0.00 H new ATOM 347 N ILE A 44 -5.760 -1.835 -8.969 1.00 0.00 N ATOM 348 CA ILE A 44 -6.101 -3.003 -8.117 1.00 0.00 C ATOM 349 C ILE A 44 -7.100 -2.551 -7.015 1.00 0.00 C ATOM 350 O ILE A 44 -8.234 -3.029 -7.060 1.00 0.00 O ATOM 351 CB ILE A 44 -4.863 -3.874 -7.692 1.00 0.00 C ATOM 352 CG1 ILE A 44 -5.235 -5.279 -7.135 1.00 0.00 C ATOM 353 CG2 ILE A 44 -3.877 -3.191 -6.715 1.00 0.00 C ATOM 354 CD1 ILE A 44 -5.963 -6.224 -8.104 1.00 0.00 C ATOM 0 H ILE A 44 -4.787 -1.539 -8.893 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.638 -3.753 -8.698 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.348 -3.997 -8.645 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.320 -5.769 -6.802 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.862 -5.143 -6.254 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.060 -3.875 -6.485 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.476 -2.288 -7.175 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.400 -2.928 -5.795 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.169 -7.170 -7.604 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.902 -5.769 -8.420 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.335 -6.404 -8.977 1.00 0.00 H new ATOM 355 N ALA A 45 -6.773 -1.556 -6.151 1.00 0.00 N ATOM 356 CA ALA A 45 -7.828 -0.779 -5.438 1.00 0.00 C ATOM 357 C ALA A 45 -7.288 0.593 -4.915 1.00 0.00 C ATOM 358 O ALA A 45 -6.109 0.939 -5.071 1.00 0.00 O ATOM 359 CB ALA A 45 -8.588 -1.687 -4.435 1.00 0.00 C ATOM 0 H ALA A 45 -5.817 -1.276 -5.933 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.606 -0.462 -6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.354 -1.103 -3.924 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.058 -2.510 -4.973 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.887 -2.086 -3.702 1.00 0.00 H new ATOM 360 N GLN A 46 -8.193 1.425 -4.347 1.00 0.00 N ATOM 361 CA GLN A 46 -7.922 2.860 -4.088 1.00 0.00 C ATOM 362 C GLN A 46 -9.010 3.466 -3.143 1.00 0.00 C ATOM 363 O GLN A 46 -10.214 3.238 -3.290 1.00 0.00 O ATOM 364 CB GLN A 46 -7.825 3.701 -5.404 1.00 0.00 C ATOM 365 CG GLN A 46 -9.005 3.591 -6.412 1.00 0.00 C ATOM 366 CD GLN A 46 -8.932 4.541 -7.615 1.00 0.00 C ATOM 367 OE1 GLN A 46 -9.658 5.534 -7.687 1.00 0.00 O ATOM 368 NE2 GLN A 46 -8.083 4.259 -8.592 1.00 0.00 N ATOM 0 H GLN A 46 -9.124 1.124 -4.057 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.949 2.911 -3.598 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -7.716 4.749 -5.127 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.911 3.411 -5.922 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.051 2.567 -6.782 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.936 3.779 -5.878 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.485 3.435 -8.526 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.027 4.865 -9.410 1.00 0.00 H new ATOM 369 N PHE A 47 -8.536 4.335 -2.232 1.00 0.00 N ATOM 370 CA PHE A 47 -9.381 5.333 -1.528 1.00 0.00 C ATOM 371 C PHE A 47 -9.409 6.654 -2.320 1.00 0.00 C ATOM 372 O PHE A 47 -8.353 7.212 -2.658 1.00 0.00 O ATOM 373 CB PHE A 47 -8.792 5.702 -0.139 1.00 0.00 C ATOM 374 CG PHE A 47 -9.153 4.715 0.958 1.00 0.00 C ATOM 375 CD1 PHE A 47 -10.344 4.864 1.674 1.00 0.00 C ATOM 376 CD2 PHE A 47 -8.284 3.667 1.244 1.00 0.00 C ATOM 377 CE1 PHE A 47 -10.643 3.977 2.707 1.00 0.00 C ATOM 378 CE2 PHE A 47 -8.595 2.780 2.269 1.00 0.00 C ATOM 379 CZ PHE A 47 -9.767 2.937 3.006 1.00 0.00 C ATOM 0 H PHE A 47 -7.554 4.370 -1.958 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.369 4.884 -1.428 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.707 5.762 -0.219 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.146 6.693 0.145 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -11.029 5.662 1.428 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.375 3.543 0.674 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.554 4.096 3.275 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.924 1.965 2.495 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.996 2.252 3.809 1.00 0.00 H new ATOM 380 N ARG A 48 -10.639 7.188 -2.473 1.00 0.00 N ATOM 381 CA ARG A 48 -10.840 8.597 -2.896 1.00 0.00 C ATOM 382 C ARG A 48 -11.859 9.476 -2.096 1.00 0.00 C ATOM 383 O ARG A 48 -12.069 10.625 -2.502 1.00 0.00 O ATOM 384 CB ARG A 48 -10.998 8.721 -4.449 1.00 0.00 C ATOM 385 CG ARG A 48 -11.969 7.787 -5.222 1.00 0.00 C ATOM 386 CD ARG A 48 -13.410 7.602 -4.694 1.00 0.00 C ATOM 387 NE ARG A 48 -14.252 8.826 -4.665 1.00 0.00 N ATOM 388 CZ ARG A 48 -15.010 9.266 -5.689 1.00 0.00 C ATOM 389 NH1 ARG A 48 -15.003 8.729 -6.909 1.00 0.00 N ATOM 390 NH2 ARG A 48 -15.805 10.297 -5.471 1.00 0.00 N ATOM 0 H ARG A 48 -11.504 6.672 -2.312 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.902 9.066 -2.598 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.302 9.746 -4.660 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.008 8.586 -4.884 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -12.038 8.158 -6.245 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.507 6.801 -5.271 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.909 6.855 -5.311 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.357 7.197 -3.684 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.257 9.375 -3.805 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.397 7.934 -7.113 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -15.604 9.113 -7.639 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.832 10.735 -4.550 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.392 10.656 -6.224 1.00 0.00 H new ATOM 391 N LYS A 49 -12.421 9.039 -0.939 1.00 0.00 N ATOM 392 CA LYS A 49 -13.123 9.934 0.034 1.00 0.00 C ATOM 393 C LYS A 49 -14.547 10.375 -0.439 1.00 0.00 C ATOM 394 O LYS A 49 -14.812 10.557 -1.632 1.00 0.00 O ATOM 395 CB LYS A 49 -12.193 11.105 0.496 1.00 0.00 C ATOM 396 CG LYS A 49 -12.601 11.960 1.722 1.00 0.00 C ATOM 397 CD LYS A 49 -12.658 11.220 3.079 1.00 0.00 C ATOM 398 CE LYS A 49 -13.016 12.118 4.284 1.00 0.00 C ATOM 399 NZ LYS A 49 -14.423 12.570 4.276 1.00 0.00 N ATOM 0 H LYS A 49 -12.403 8.061 -0.650 1.00 0.00 H new ATOM 0 HA LYS A 49 -13.331 9.346 0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.211 10.680 0.705 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -12.074 11.782 -0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.898 12.788 1.812 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.582 12.394 1.527 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.392 10.417 3.010 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.691 10.753 3.265 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.822 11.571 5.207 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.361 12.989 4.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.600 13.168 5.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.607 13.118 3.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.053 11.743 4.303 1.00 0.00 H new ATOM 400 N GLU A 50 -15.450 10.560 0.541 1.00 0.00 N ATOM 401 CA GLU A 50 -16.839 11.088 0.340 1.00 0.00 C ATOM 402 C GLU A 50 -17.808 10.078 -0.358 1.00 0.00 C ATOM 403 O GLU A 50 -18.450 10.403 -1.366 1.00 0.00 O ATOM 404 CB GLU A 50 -16.923 12.473 -0.365 1.00 0.00 C ATOM 405 CG GLU A 50 -16.039 13.614 0.180 1.00 0.00 C ATOM 406 CD GLU A 50 -16.246 14.930 -0.569 1.00 0.00 C ATOM 407 OE1 GLU A 50 -17.224 15.649 -0.274 1.00 0.00 O ATOM 408 OE2 GLU A 50 -15.433 15.253 -1.465 1.00 0.00 O ATOM 0 H GLU A 50 -15.245 10.347 1.517 1.00 0.00 H new ATOM 0 HA GLU A 50 -17.178 11.233 1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -16.673 12.329 -1.416 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -17.960 12.806 -0.327 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -16.258 13.764 1.237 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.991 13.322 0.110 1.00 0.00 H new ATOM 409 N LYS A 51 -17.917 8.845 0.167 1.00 0.00 N ATOM 410 CA LYS A 51 -18.696 7.764 -0.466 1.00 0.00 C ATOM 411 C LYS A 51 -17.969 7.210 -1.734 1.00 0.00 C ATOM 412 O LYS A 51 -17.283 7.890 -2.502 1.00 0.00 O ATOM 413 CB LYS A 51 -20.205 8.106 -0.633 1.00 0.00 C ATOM 414 CG LYS A 51 -21.151 6.899 -0.862 1.00 0.00 C ATOM 415 CD LYS A 51 -22.633 7.227 -0.580 1.00 0.00 C ATOM 416 CE LYS A 51 -23.582 6.041 -0.857 1.00 0.00 C ATOM 417 NZ LYS A 51 -24.966 6.363 -0.467 1.00 0.00 N ATOM 0 H LYS A 51 -17.469 8.569 1.041 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.729 6.921 0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.537 8.640 0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.312 8.791 -1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.051 6.557 -1.892 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.839 6.074 -0.221 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.739 7.533 0.461 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.934 8.076 -1.194 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -23.550 5.786 -1.916 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -23.241 5.163 -0.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -25.581 5.548 -0.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.998 6.583 0.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -25.297 7.186 -1.010 1.00 0.00 H new ATOM 418 N GLU A 52 -18.154 5.902 -1.835 1.00 0.00 N ATOM 419 CA GLU A 52 -17.509 4.987 -2.816 1.00 0.00 C ATOM 420 C GLU A 52 -15.967 4.837 -2.651 1.00 0.00 C ATOM 421 O GLU A 52 -15.190 5.295 -3.493 1.00 0.00 O ATOM 422 CB GLU A 52 -18.034 5.060 -4.287 1.00 0.00 C ATOM 423 CG GLU A 52 -17.860 6.378 -5.074 1.00 0.00 C ATOM 424 CD GLU A 52 -18.279 6.282 -6.542 1.00 0.00 C ATOM 425 OE1 GLU A 52 -19.496 6.210 -6.824 1.00 0.00 O ATOM 426 OE2 GLU A 52 -17.392 6.295 -7.427 1.00 0.00 O ATOM 0 H GLU A 52 -18.789 5.406 -1.210 1.00 0.00 H new ATOM 0 HA GLU A 52 -17.890 4.012 -2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -17.541 4.270 -4.853 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -19.098 4.824 -4.270 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -18.445 7.159 -4.589 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -16.815 6.685 -5.024 1.00 0.00 H new ATOM 427 N THR A 53 -15.548 4.101 -1.599 1.00 0.00 N ATOM 428 CA THR A 53 -14.194 3.478 -1.522 1.00 0.00 C ATOM 429 C THR A 53 -14.203 2.219 -2.437 1.00 0.00 C ATOM 430 O THR A 53 -15.057 1.336 -2.297 1.00 0.00 O ATOM 431 CB THR A 53 -13.844 3.098 -0.051 1.00 0.00 C ATOM 432 OG1 THR A 53 -13.824 4.263 0.769 1.00 0.00 O ATOM 433 CG2 THR A 53 -12.480 2.395 0.124 1.00 0.00 C ATOM 0 H THR A 53 -16.129 3.918 -0.781 1.00 0.00 H new ATOM 0 HA THR A 53 -13.432 4.181 -1.858 1.00 0.00 H new ATOM 0 HB THR A 53 -14.623 2.396 0.244 1.00 0.00 H new ATOM 0 HG1 THR A 53 -12.900 4.468 1.023 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.320 2.168 1.178 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.471 1.470 -0.452 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.685 3.051 -0.231 1.00 0.00 H new ATOM 434 N PHE A 54 -13.217 2.144 -3.347 1.00 0.00 N ATOM 435 CA PHE A 54 -13.061 0.983 -4.260 1.00 0.00 C ATOM 436 C PHE A 54 -12.089 -0.029 -3.598 1.00 0.00 C ATOM 437 O PHE A 54 -10.911 0.289 -3.412 1.00 0.00 O ATOM 438 CB PHE A 54 -12.546 1.452 -5.652 1.00 0.00 C ATOM 439 CG PHE A 54 -13.577 2.232 -6.492 1.00 0.00 C ATOM 440 CD1 PHE A 54 -14.506 1.537 -7.275 1.00 0.00 C ATOM 441 CD2 PHE A 54 -13.610 3.633 -6.471 1.00 0.00 C ATOM 442 CE1 PHE A 54 -15.453 2.227 -8.026 1.00 0.00 C ATOM 443 CE2 PHE A 54 -14.564 4.322 -7.219 1.00 0.00 C ATOM 444 CZ PHE A 54 -15.480 3.619 -7.997 1.00 0.00 C ATOM 0 H PHE A 54 -12.513 2.870 -3.475 1.00 0.00 H new ATOM 0 HA PHE A 54 -14.022 0.497 -4.426 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.667 2.080 -5.506 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.223 0.578 -6.218 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.488 0.457 -7.297 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.895 4.180 -5.874 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -16.165 1.684 -8.630 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.592 5.401 -7.195 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.214 4.155 -8.580 1.00 0.00 H new ATOM 445 N LYS A 55 -12.592 -1.228 -3.239 1.00 0.00 N ATOM 446 CA LYS A 55 -11.748 -2.343 -2.720 1.00 0.00 C ATOM 447 C LYS A 55 -12.506 -3.700 -2.833 1.00 0.00 C ATOM 448 O LYS A 55 -13.563 -3.884 -2.221 1.00 0.00 O ATOM 449 CB LYS A 55 -11.112 -2.099 -1.316 1.00 0.00 C ATOM 450 CG LYS A 55 -12.054 -1.832 -0.119 1.00 0.00 C ATOM 451 CD LYS A 55 -11.294 -1.449 1.170 1.00 0.00 C ATOM 452 CE LYS A 55 -12.239 -1.132 2.342 1.00 0.00 C ATOM 453 NZ LYS A 55 -11.505 -0.700 3.544 1.00 0.00 N ATOM 0 H LYS A 55 -13.584 -1.457 -3.297 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.874 -2.388 -3.370 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.503 -2.969 -1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.434 -1.249 -1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.745 -1.030 -0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.654 -2.722 0.070 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.631 -2.267 1.453 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.664 -0.582 0.972 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.937 -0.350 2.043 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.832 -2.015 2.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.180 -0.497 4.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.857 -1.456 3.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.959 0.158 3.327 1.00 0.00 H new ATOM 454 N GLU A 56 -11.943 -4.645 -3.621 1.00 0.00 N ATOM 455 CA GLU A 56 -12.585 -5.957 -3.933 1.00 0.00 C ATOM 456 C GLU A 56 -12.198 -7.115 -2.946 1.00 0.00 C ATOM 457 O GLU A 56 -11.453 -6.920 -1.978 1.00 0.00 O ATOM 458 CB GLU A 56 -12.370 -6.280 -5.446 1.00 0.00 C ATOM 459 CG GLU A 56 -10.981 -6.770 -5.928 1.00 0.00 C ATOM 460 CD GLU A 56 -9.961 -5.667 -6.220 1.00 0.00 C ATOM 461 OE1 GLU A 56 -9.989 -5.123 -7.347 1.00 0.00 O ATOM 462 OE2 GLU A 56 -9.127 -5.354 -5.343 1.00 0.00 O ATOM 0 H GLU A 56 -11.031 -4.526 -4.062 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.658 -5.870 -3.760 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.100 -7.039 -5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.614 -5.380 -6.011 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.566 -7.434 -5.170 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.118 -7.364 -6.832 1.00 0.00 H new ATOM 463 N LYS A 57 -12.728 -8.334 -3.208 1.00 0.00 N ATOM 464 CA LYS A 57 -12.504 -9.540 -2.358 1.00 0.00 C ATOM 465 C LYS A 57 -11.065 -10.111 -2.538 1.00 0.00 C ATOM 466 O LYS A 57 -10.706 -10.615 -3.610 1.00 0.00 O ATOM 467 CB LYS A 57 -13.555 -10.637 -2.701 1.00 0.00 C ATOM 468 CG LYS A 57 -15.025 -10.346 -2.302 1.00 0.00 C ATOM 469 CD LYS A 57 -16.059 -11.330 -2.904 1.00 0.00 C ATOM 470 CE LYS A 57 -16.004 -12.801 -2.439 1.00 0.00 C ATOM 471 NZ LYS A 57 -16.502 -13.010 -1.068 1.00 0.00 N ATOM 0 H LYS A 57 -13.325 -8.514 -4.015 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.617 -9.238 -1.317 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.523 -10.813 -3.776 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.249 -11.564 -2.217 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.106 -10.373 -1.215 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.280 -9.334 -2.615 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.055 -10.946 -2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.944 -11.316 -3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.590 -13.412 -3.126 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.974 -13.153 -2.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.435 -14.019 -0.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.929 -12.454 -0.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.494 -12.705 -1.009 1.00 0.00 H new ATOM 472 N ASP A 58 -10.262 -10.027 -1.466 1.00 0.00 N ATOM 473 CA ASP A 58 -8.883 -10.589 -1.410 1.00 0.00 C ATOM 474 C ASP A 58 -8.794 -11.409 -0.072 1.00 0.00 C ATOM 475 O ASP A 58 -9.112 -12.590 0.062 1.00 0.00 O ATOM 476 CB ASP A 58 -7.739 -9.555 -1.775 1.00 0.00 C ATOM 477 CG ASP A 58 -7.873 -8.783 -3.097 1.00 0.00 C ATOM 478 OD1 ASP A 58 -8.481 -7.692 -3.097 1.00 0.00 O ATOM 479 OD2 ASP A 58 -7.365 -9.261 -4.137 1.00 0.00 O ATOM 0 H ASP A 58 -10.544 -9.565 -0.601 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.680 -11.292 -2.218 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.673 -8.827 -0.966 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.792 -10.095 -1.796 1.00 0.00 H new ATOM 480 N THR A 59 -8.142 -10.671 0.784 1.00 0.00 N ATOM 481 CA THR A 59 -7.151 -11.045 1.808 1.00 0.00 C ATOM 482 C THR A 59 -6.746 -9.608 2.302 1.00 0.00 C ATOM 483 O THR A 59 -6.871 -9.295 3.484 1.00 0.00 O ATOM 484 CB THR A 59 -5.933 -11.904 1.346 1.00 0.00 C ATOM 485 OG1 THR A 59 -5.477 -11.495 0.065 1.00 0.00 O ATOM 486 CG2 THR A 59 -6.165 -13.422 1.331 1.00 0.00 C ATOM 0 H THR A 59 -8.299 -9.663 0.797 1.00 0.00 H new ATOM 0 HA THR A 59 -7.555 -11.727 2.556 1.00 0.00 H new ATOM 0 HB THR A 59 -5.177 -11.718 2.109 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.544 -11.201 0.128 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.258 -13.925 0.995 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.418 -13.761 2.335 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.984 -13.658 0.651 1.00 0.00 H new ATOM 487 N TYR A 60 -6.265 -8.767 1.324 1.00 0.00 N ATOM 488 CA TYR A 60 -5.720 -7.399 1.503 1.00 0.00 C ATOM 489 C TYR A 60 -6.305 -6.524 2.655 1.00 0.00 C ATOM 490 O TYR A 60 -7.504 -6.559 2.950 1.00 0.00 O ATOM 491 CB TYR A 60 -5.882 -6.552 0.193 1.00 0.00 C ATOM 492 CG TYR A 60 -5.144 -6.859 -1.128 1.00 0.00 C ATOM 493 CD1 TYR A 60 -4.530 -8.082 -1.433 1.00 0.00 C ATOM 494 CD2 TYR A 60 -5.175 -5.856 -2.107 1.00 0.00 C ATOM 495 CE1 TYR A 60 -4.017 -8.308 -2.705 1.00 0.00 C ATOM 496 CE2 TYR A 60 -4.641 -6.077 -3.372 1.00 0.00 C ATOM 497 CZ TYR A 60 -4.085 -7.314 -3.679 1.00 0.00 C ATOM 498 OH TYR A 60 -3.604 -7.561 -4.940 1.00 0.00 O ATOM 0 H TYR A 60 -6.252 -9.053 0.345 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.686 -7.617 1.769 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.946 -6.557 -0.044 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.620 -5.528 0.458 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.455 -8.850 -0.678 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.619 -4.899 -1.876 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.563 -9.259 -2.940 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.658 -5.291 -4.113 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.352 -7.618 -5.570 1.00 0.00 H new ATOM 499 N LYS A 61 -5.430 -5.667 3.206 1.00 0.00 N ATOM 500 CA LYS A 61 -5.839 -4.465 3.958 1.00 0.00 C ATOM 501 C LYS A 61 -5.278 -3.236 3.199 1.00 0.00 C ATOM 502 O LYS A 61 -4.264 -2.648 3.593 1.00 0.00 O ATOM 503 CB LYS A 61 -5.377 -4.542 5.442 1.00 0.00 C ATOM 504 CG LYS A 61 -6.027 -5.616 6.351 1.00 0.00 C ATOM 505 CD LYS A 61 -7.327 -5.204 7.084 1.00 0.00 C ATOM 506 CE LYS A 61 -8.630 -5.152 6.263 1.00 0.00 C ATOM 507 NZ LYS A 61 -9.077 -6.477 5.793 1.00 0.00 N ATOM 0 H LYS A 61 -4.419 -5.786 3.144 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.925 -4.383 4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.300 -4.707 5.448 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.553 -3.568 5.898 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.242 -6.494 5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.294 -5.919 7.099 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.480 -5.898 7.911 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.167 -4.218 7.521 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.417 -4.705 6.871 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.483 -4.499 5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.114 -6.487 5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.660 -6.674 4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.773 -7.206 6.469 1.00 0.00 H new ATOM 508 N LEU A 62 -5.997 -2.816 2.128 1.00 0.00 N ATOM 509 CA LEU A 62 -5.823 -1.480 1.500 1.00 0.00 C ATOM 510 C LEU A 62 -6.454 -0.435 2.479 1.00 0.00 C ATOM 511 O LEU A 62 -7.672 -0.430 2.687 1.00 0.00 O ATOM 512 CB LEU A 62 -6.435 -1.474 0.048 1.00 0.00 C ATOM 513 CG LEU A 62 -5.432 -1.408 -1.140 1.00 0.00 C ATOM 514 CD1 LEU A 62 -6.030 -1.530 -2.524 1.00 0.00 C ATOM 515 CD2 LEU A 62 -4.505 -0.179 -1.094 1.00 0.00 C ATOM 0 H LEU A 62 -6.710 -3.389 1.677 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.775 -1.218 1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.040 -2.373 -0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.111 -0.623 -0.031 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.845 -2.312 -0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.237 -1.470 -3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.543 -2.487 -2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.742 -0.720 -2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.833 -0.198 -1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.105 0.731 -1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.920 -0.199 -0.174 1.00 0.00 H new ATOM 516 N PHE A 63 -5.586 0.348 3.159 1.00 0.00 N ATOM 517 CA PHE A 63 -5.900 0.986 4.473 1.00 0.00 C ATOM 518 C PHE A 63 -5.913 2.545 4.406 1.00 0.00 C ATOM 519 O PHE A 63 -5.407 3.166 3.464 1.00 0.00 O ATOM 520 CB PHE A 63 -4.794 0.483 5.446 1.00 0.00 C ATOM 521 CG PHE A 63 -4.999 0.676 6.958 1.00 0.00 C ATOM 522 CD1 PHE A 63 -5.880 -0.154 7.663 1.00 0.00 C ATOM 523 CD2 PHE A 63 -4.256 1.634 7.654 1.00 0.00 C ATOM 524 CE1 PHE A 63 -6.005 -0.030 9.045 1.00 0.00 C ATOM 525 CE2 PHE A 63 -4.383 1.755 9.036 1.00 0.00 C ATOM 526 CZ PHE A 63 -5.255 0.922 9.729 1.00 0.00 C ATOM 0 H PHE A 63 -4.648 0.560 2.819 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.903 0.712 4.800 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.653 -0.583 5.265 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.862 0.979 5.173 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.464 -0.892 7.134 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.580 2.284 7.118 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.684 -0.673 9.586 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.805 2.495 9.569 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.350 1.014 10.801 1.00 0.00 H new ATOM 527 N LYS A 64 -6.489 3.165 5.457 1.00 0.00 N ATOM 528 CA LYS A 64 -6.658 4.640 5.541 1.00 0.00 C ATOM 529 C LYS A 64 -5.373 5.460 5.837 1.00 0.00 C ATOM 530 O LYS A 64 -5.096 6.399 5.085 1.00 0.00 O ATOM 531 CB LYS A 64 -7.765 5.026 6.557 1.00 0.00 C ATOM 532 CG LYS A 64 -9.198 4.560 6.219 1.00 0.00 C ATOM 533 CD LYS A 64 -10.219 4.967 7.305 1.00 0.00 C ATOM 534 CE LYS A 64 -11.649 4.444 7.076 1.00 0.00 C ATOM 535 NZ LYS A 64 -12.352 5.133 5.977 1.00 0.00 N ATOM 0 H LYS A 64 -6.850 2.665 6.270 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.950 4.916 4.528 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.493 4.617 7.530 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.773 6.111 6.658 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.500 4.986 5.262 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.207 3.476 6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.865 4.605 8.270 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.250 6.055 7.365 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.608 3.377 6.859 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.223 4.561 7.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.308 4.736 5.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.420 6.148 6.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.824 5.001 5.091 1.00 0.00 H new ATOM 536 N ASN A 65 -4.597 5.133 6.892 1.00 0.00 N ATOM 537 CA ASN A 65 -3.317 5.787 7.230 1.00 0.00 C ATOM 538 C ASN A 65 -2.307 5.942 6.045 1.00 0.00 C ATOM 539 O ASN A 65 -1.706 7.007 5.873 1.00 0.00 O ATOM 540 CB ASN A 65 -2.684 5.064 8.453 1.00 0.00 C ATOM 541 CG ASN A 65 -1.568 5.839 9.184 1.00 0.00 C ATOM 542 OD1 ASN A 65 -1.832 6.745 9.973 1.00 0.00 O ATOM 543 ND2 ASN A 65 -0.308 5.500 8.943 1.00 0.00 N ATOM 0 H ASN A 65 -4.849 4.391 7.546 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.554 6.820 7.485 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.475 4.841 9.169 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.279 4.109 8.118 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.451 5.992 9.414 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.099 4.747 8.287 1.00 0.00 H new ATOM 544 N GLY A 66 -2.183 4.866 5.252 1.00 0.00 N ATOM 545 CA GLY A 66 -1.438 4.879 3.975 1.00 0.00 C ATOM 546 C GLY A 66 -0.737 3.535 3.741 1.00 0.00 C ATOM 547 O GLY A 66 0.495 3.499 3.726 1.00 0.00 O ATOM 0 H GLY A 66 -2.595 3.960 5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.122 5.086 3.152 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.701 5.682 3.987 1.00 0.00 H new ATOM 548 N THR A 67 -1.518 2.442 3.599 1.00 0.00 N ATOM 549 CA THR A 67 -0.980 1.061 3.776 1.00 0.00 C ATOM 550 C THR A 67 -1.589 0.083 2.723 1.00 0.00 C ATOM 551 O THR A 67 -2.737 0.235 2.293 1.00 0.00 O ATOM 552 CB THR A 67 -1.091 0.652 5.290 1.00 0.00 C ATOM 553 OG1 THR A 67 0.133 0.965 5.950 1.00 0.00 O ATOM 554 CG2 THR A 67 -1.430 -0.817 5.615 1.00 0.00 C ATOM 0 H THR A 67 -2.510 2.479 3.366 1.00 0.00 H new ATOM 0 HA THR A 67 0.086 1.011 3.556 1.00 0.00 H new ATOM 0 HB THR A 67 -1.950 1.224 5.640 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.069 0.714 6.895 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.473 -0.950 6.696 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.396 -1.072 5.179 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.661 -1.468 5.200 1.00 0.00 H new ATOM 555 N LEU A 68 -0.828 -0.980 2.378 1.00 0.00 N ATOM 556 CA LEU A 68 -1.395 -2.187 1.719 1.00 0.00 C ATOM 557 C LEU A 68 -0.752 -3.483 2.293 1.00 0.00 C ATOM 558 O LEU A 68 0.195 -4.027 1.714 1.00 0.00 O ATOM 559 CB LEU A 68 -1.303 -2.104 0.165 1.00 0.00 C ATOM 560 CG LEU A 68 -2.302 -2.972 -0.621 1.00 0.00 C ATOM 561 CD1 LEU A 68 -2.265 -2.603 -2.117 1.00 0.00 C ATOM 562 CD2 LEU A 68 -2.084 -4.470 -0.489 1.00 0.00 C ATOM 0 H LEU A 68 0.177 -1.030 2.543 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.460 -2.227 1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.444 -1.065 -0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.294 -2.387 -0.134 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.274 -2.755 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.976 -3.224 -2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.531 -1.553 -2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.262 -2.771 -2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.834 -5.000 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.090 -4.727 -0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.172 -4.760 0.558 1.00 0.00 H new ATOM 563 N LYS A 69 -1.343 -4.057 3.357 1.00 0.00 N ATOM 564 CA LYS A 69 -1.054 -5.460 3.769 1.00 0.00 C ATOM 565 C LYS A 69 -1.727 -6.465 2.795 1.00 0.00 C ATOM 566 O LYS A 69 -2.846 -6.233 2.350 1.00 0.00 O ATOM 567 CB LYS A 69 -1.454 -5.646 5.255 1.00 0.00 C ATOM 568 CG LYS A 69 -0.925 -6.957 5.887 1.00 0.00 C ATOM 569 CD LYS A 69 -1.004 -7.051 7.426 1.00 0.00 C ATOM 570 CE LYS A 69 0.076 -6.270 8.208 1.00 0.00 C ATOM 571 NZ LYS A 69 -0.218 -4.831 8.361 1.00 0.00 N ATOM 0 H LYS A 69 -2.022 -3.581 3.951 1.00 0.00 H new ATOM 0 HA LYS A 69 0.014 -5.670 3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.080 -4.800 5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.541 -5.629 5.334 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.484 -7.792 5.463 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.115 -7.086 5.589 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.984 -6.693 7.742 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.942 -8.102 7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.187 -6.715 9.197 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.033 -6.383 7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.229 -4.476 9.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.156 -4.311 7.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.247 -4.691 8.419 1.00 0.00 H new ATOM 572 N ILE A 70 -1.037 -7.553 2.428 1.00 0.00 N ATOM 573 CA ILE A 70 -1.570 -8.586 1.487 1.00 0.00 C ATOM 574 C ILE A 70 -1.691 -9.850 2.372 1.00 0.00 C ATOM 575 O ILE A 70 -0.648 -10.414 2.724 1.00 0.00 O ATOM 576 CB ILE A 70 -0.658 -8.792 0.223 1.00 0.00 C ATOM 577 CG1 ILE A 70 -0.389 -7.489 -0.575 1.00 0.00 C ATOM 578 CG2 ILE A 70 -1.262 -9.881 -0.694 1.00 0.00 C ATOM 579 CD1 ILE A 70 0.743 -7.534 -1.611 1.00 0.00 C ATOM 0 H ILE A 70 -0.096 -7.755 2.765 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.525 -8.300 1.045 1.00 0.00 H new ATOM 0 HB ILE A 70 0.314 -9.117 0.593 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.309 -7.209 -1.089 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.167 -6.694 0.137 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.624 -10.017 -1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.332 -10.821 -0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.257 -9.574 -1.016 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.829 -6.563 -2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.682 -7.774 -1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.523 -8.297 -2.358 1.00 0.00 H new ATOM 580 N LYS A 71 -2.918 -10.230 2.800 1.00 0.00 N ATOM 581 CA LYS A 71 -3.067 -10.957 4.100 1.00 0.00 C ATOM 582 C LYS A 71 -2.945 -12.506 3.963 1.00 0.00 C ATOM 583 O LYS A 71 -3.929 -13.212 3.717 1.00 0.00 O ATOM 584 CB LYS A 71 -4.376 -10.507 4.798 1.00 0.00 C ATOM 585 CG LYS A 71 -4.508 -10.861 6.297 1.00 0.00 C ATOM 586 CD LYS A 71 -5.846 -10.440 6.941 1.00 0.00 C ATOM 587 CE LYS A 71 -7.067 -11.273 6.496 1.00 0.00 C ATOM 588 NZ LYS A 71 -8.312 -10.756 7.089 1.00 0.00 N ATOM 0 H LYS A 71 -3.788 -10.059 2.296 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.227 -10.683 4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.466 -9.426 4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.218 -10.951 4.266 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.386 -11.938 6.415 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.692 -10.386 6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.750 -10.511 8.024 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.033 -9.392 6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.145 -11.256 5.409 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.927 -12.313 6.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.115 -11.336 6.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.245 -10.795 8.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.457 -9.771 6.789 1.00 0.00 H new ATOM 589 N HIS A 72 -1.721 -13.019 4.178 1.00 0.00 N ATOM 590 CA HIS A 72 -1.403 -14.470 4.273 1.00 0.00 C ATOM 591 C HIS A 72 -1.825 -15.330 3.046 1.00 0.00 C ATOM 592 O HIS A 72 -2.774 -16.109 3.177 1.00 0.00 O ATOM 593 CB HIS A 72 -1.812 -15.062 5.659 1.00 0.00 C ATOM 594 CG HIS A 72 -0.998 -16.289 6.099 1.00 0.00 C ATOM 595 ND1 HIS A 72 -1.365 -17.612 5.873 1.00 0.00 N ATOM 596 CD2 HIS A 72 0.184 -16.246 6.864 1.00 0.00 C ATOM 597 CE1 HIS A 72 -0.358 -18.256 6.545 1.00 0.00 C ATOM 598 NE2 HIS A 72 0.624 -17.524 7.157 1.00 0.00 N ATOM 0 H HIS A 72 -0.898 -12.427 4.295 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.316 -14.533 4.221 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.709 -14.284 6.416 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.867 -15.336 5.625 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.679 -15.339 7.179 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -0.340 -19.335 6.591 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.444 -17.833 7.679 1.00 0.00 H new ATOM 599 N LEU A 73 -1.140 -15.203 1.881 1.00 0.00 N ATOM 600 CA LEU A 73 -1.368 -16.119 0.725 1.00 0.00 C ATOM 601 C LEU A 73 -0.283 -16.020 -0.396 1.00 0.00 C ATOM 602 O LEU A 73 0.430 -15.026 -0.554 1.00 0.00 O ATOM 603 CB LEU A 73 -2.823 -16.028 0.144 1.00 0.00 C ATOM 604 CG LEU A 73 -3.668 -17.308 0.391 1.00 0.00 C ATOM 605 CD1 LEU A 73 -5.184 -17.052 0.285 1.00 0.00 C ATOM 606 CD2 LEU A 73 -3.238 -18.451 -0.541 1.00 0.00 C ATOM 0 H LEU A 73 -0.434 -14.486 1.714 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.259 -17.117 1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.332 -15.174 0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.767 -15.840 -0.928 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.471 -17.611 1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.724 -17.981 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.480 -16.310 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.422 -16.684 -0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.849 -19.332 -0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.370 -18.144 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.189 -18.690 -0.364 1.00 0.00 H new ATOM 607 N LYS A 74 -0.234 -17.131 -1.159 1.00 0.00 N ATOM 608 CA LYS A 74 0.678 -17.451 -2.289 1.00 0.00 C ATOM 609 C LYS A 74 0.916 -16.352 -3.394 1.00 0.00 C ATOM 610 O LYS A 74 0.497 -15.202 -3.270 1.00 0.00 O ATOM 611 CB LYS A 74 0.141 -18.799 -2.873 1.00 0.00 C ATOM 612 CG LYS A 74 0.136 -20.050 -1.951 1.00 0.00 C ATOM 613 CD LYS A 74 -0.256 -21.369 -2.649 1.00 0.00 C ATOM 614 CE LYS A 74 0.874 -21.977 -3.504 1.00 0.00 C ATOM 615 NZ LYS A 74 0.465 -23.250 -4.123 1.00 0.00 N ATOM 0 H LYS A 74 -0.886 -17.897 -0.990 1.00 0.00 H new ATOM 0 HA LYS A 74 1.692 -17.515 -1.894 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.881 -18.631 -3.211 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.734 -19.039 -3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.129 -20.167 -1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.554 -19.873 -1.126 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.558 -22.094 -1.893 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.124 -21.190 -3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.162 -21.270 -4.282 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.753 -22.141 -2.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.250 -23.629 -4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.214 -23.933 -3.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.359 -23.089 -4.737 1.00 0.00 H new ATOM 616 N THR A 75 1.660 -16.725 -4.465 1.00 0.00 N ATOM 617 CA THR A 75 2.268 -15.794 -5.457 1.00 0.00 C ATOM 618 C THR A 75 1.270 -14.832 -6.151 1.00 0.00 C ATOM 619 O THR A 75 1.490 -13.620 -6.215 1.00 0.00 O ATOM 620 CB THR A 75 3.117 -16.586 -6.508 1.00 0.00 C ATOM 621 OG1 THR A 75 4.228 -17.197 -5.866 1.00 0.00 O ATOM 622 CG2 THR A 75 3.697 -15.779 -7.689 1.00 0.00 C ATOM 0 H THR A 75 1.860 -17.704 -4.670 1.00 0.00 H new ATOM 0 HA THR A 75 2.920 -15.141 -4.877 1.00 0.00 H new ATOM 0 HB THR A 75 2.396 -17.288 -6.927 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.755 -17.693 -6.527 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.262 -16.444 -8.341 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.883 -15.323 -8.253 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.356 -14.999 -7.308 1.00 0.00 H new ATOM 623 N ASP A 76 0.206 -15.435 -6.682 1.00 0.00 N ATOM 624 CA ASP A 76 -0.910 -14.718 -7.357 1.00 0.00 C ATOM 625 C ASP A 76 -1.828 -13.805 -6.483 1.00 0.00 C ATOM 626 O ASP A 76 -2.515 -12.945 -7.041 1.00 0.00 O ATOM 627 CB ASP A 76 -1.709 -15.709 -8.245 1.00 0.00 C ATOM 628 CG ASP A 76 -2.547 -16.782 -7.520 1.00 0.00 C ATOM 629 OD1 ASP A 76 -1.965 -17.777 -7.030 1.00 0.00 O ATOM 630 OD2 ASP A 76 -3.785 -16.630 -7.444 1.00 0.00 O ATOM 0 H ASP A 76 0.080 -16.447 -6.662 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.416 -13.968 -7.974 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.378 -15.130 -8.881 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.004 -16.217 -8.903 1.00 0.00 H new ATOM 631 N ASP A 77 -1.783 -13.928 -5.139 1.00 0.00 N ATOM 632 CA ASP A 77 -2.203 -12.839 -4.223 1.00 0.00 C ATOM 633 C ASP A 77 -1.364 -11.525 -4.353 1.00 0.00 C ATOM 634 O ASP A 77 -1.954 -10.443 -4.335 1.00 0.00 O ATOM 635 CB ASP A 77 -2.187 -13.361 -2.755 1.00 0.00 C ATOM 636 CG ASP A 77 -3.076 -12.601 -1.759 1.00 0.00 C ATOM 637 OD1 ASP A 77 -3.969 -11.829 -2.179 1.00 0.00 O ATOM 638 OD2 ASP A 77 -2.877 -12.781 -0.538 1.00 0.00 O ATOM 0 H ASP A 77 -1.460 -14.770 -4.662 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.215 -12.560 -4.518 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.493 -14.407 -2.759 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.160 -13.331 -2.391 1.00 0.00 H new ATOM 639 N GLN A 78 -0.017 -11.613 -4.434 1.00 0.00 N ATOM 640 CA GLN A 78 0.890 -10.453 -4.206 1.00 0.00 C ATOM 641 C GLN A 78 1.699 -10.113 -5.483 1.00 0.00 C ATOM 642 O GLN A 78 2.490 -10.932 -5.958 1.00 0.00 O ATOM 643 CB GLN A 78 1.728 -10.666 -2.919 1.00 0.00 C ATOM 644 CG GLN A 78 2.640 -11.913 -2.801 1.00 0.00 C ATOM 645 CD GLN A 78 2.936 -12.326 -1.343 1.00 0.00 C ATOM 646 OE1 GLN A 78 2.034 -12.523 -0.532 1.00 0.00 O ATOM 647 NE2 GLN A 78 4.201 -12.486 -0.983 1.00 0.00 N ATOM 0 H GLN A 78 0.473 -12.479 -4.657 1.00 0.00 H new ATOM 0 HA GLN A 78 0.304 -9.554 -4.016 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.359 -9.786 -2.791 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.035 -10.687 -2.078 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.168 -12.748 -3.318 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.582 -11.714 -3.312 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.948 -12.322 -1.658 1.00 0.00 H new ATOM 0 HE22 GLN A 78 4.428 -12.773 -0.031 1.00 0.00 H new ATOM 648 N ASP A 79 1.447 -8.910 -6.048 1.00 0.00 N ATOM 649 CA ASP A 79 1.793 -8.598 -7.465 1.00 0.00 C ATOM 650 C ASP A 79 2.448 -7.190 -7.666 1.00 0.00 C ATOM 651 O ASP A 79 2.637 -6.421 -6.721 1.00 0.00 O ATOM 652 CB ASP A 79 0.504 -8.705 -8.325 1.00 0.00 C ATOM 653 CG ASP A 79 -0.247 -10.052 -8.314 1.00 0.00 C ATOM 654 OD1 ASP A 79 0.189 -11.016 -8.978 1.00 0.00 O ATOM 655 OD2 ASP A 79 -1.269 -10.151 -7.594 1.00 0.00 O ATOM 0 H ASP A 79 1.006 -8.137 -5.550 1.00 0.00 H new ATOM 0 HA ASP A 79 2.544 -9.323 -7.778 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.188 -7.931 -7.993 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.768 -8.475 -9.357 1.00 0.00 H new ATOM 656 N ILE A 80 2.779 -6.841 -8.930 1.00 0.00 N ATOM 657 CA ILE A 80 3.483 -5.580 -9.296 1.00 0.00 C ATOM 658 C ILE A 80 2.556 -4.347 -9.096 1.00 0.00 C ATOM 659 O ILE A 80 1.465 -4.290 -9.669 1.00 0.00 O ATOM 660 CB ILE A 80 4.079 -5.603 -10.753 1.00 0.00 C ATOM 661 CG1 ILE A 80 4.905 -6.876 -11.093 1.00 0.00 C ATOM 662 CG2 ILE A 80 4.958 -4.352 -11.002 1.00 0.00 C ATOM 663 CD1 ILE A 80 5.259 -7.079 -12.577 1.00 0.00 C ATOM 0 H ILE A 80 2.565 -7.429 -9.736 1.00 0.00 H new ATOM 0 HA ILE A 80 4.332 -5.496 -8.618 1.00 0.00 H new ATOM 0 HB ILE A 80 3.211 -5.607 -11.412 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.832 -6.846 -10.520 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.347 -7.748 -10.751 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.361 -4.386 -12.014 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.354 -3.453 -10.882 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.779 -4.336 -10.285 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.835 -7.997 -12.691 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.343 -7.150 -13.163 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.851 -6.234 -12.929 1.00 0.00 H new ATOM 664 N TYR A 81 3.021 -3.370 -8.293 1.00 0.00 N ATOM 665 CA TYR A 81 2.216 -2.171 -7.938 1.00 0.00 C ATOM 666 C TYR A 81 2.930 -0.823 -8.293 1.00 0.00 C ATOM 667 O TYR A 81 4.070 -0.766 -8.754 1.00 0.00 O ATOM 668 CB TYR A 81 1.841 -2.242 -6.425 1.00 0.00 C ATOM 669 CG TYR A 81 0.840 -3.282 -5.859 1.00 0.00 C ATOM 670 CD1 TYR A 81 0.003 -4.076 -6.658 1.00 0.00 C ATOM 671 CD2 TYR A 81 0.854 -3.508 -4.477 1.00 0.00 C ATOM 672 CE1 TYR A 81 -0.610 -5.206 -6.129 1.00 0.00 C ATOM 673 CE2 TYR A 81 0.212 -4.616 -3.942 1.00 0.00 C ATOM 674 CZ TYR A 81 -0.491 -5.486 -4.771 1.00 0.00 C ATOM 675 OH TYR A 81 -1.033 -6.628 -4.255 1.00 0.00 O ATOM 0 H TYR A 81 3.951 -3.382 -7.874 1.00 0.00 H new ATOM 0 HA TYR A 81 1.309 -2.182 -8.542 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.774 -2.380 -5.879 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.455 -1.259 -6.154 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.166 -3.807 -7.690 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.367 -2.817 -3.825 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.177 -5.865 -6.770 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.258 -4.804 -2.879 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.948 -6.736 -4.590 1.00 0.00 H new ATOM 676 N LYS A 82 2.211 0.295 -8.086 1.00 0.00 N ATOM 677 CA LYS A 82 2.694 1.664 -8.366 1.00 0.00 C ATOM 678 C LYS A 82 1.753 2.587 -7.548 1.00 0.00 C ATOM 679 O LYS A 82 0.551 2.676 -7.834 1.00 0.00 O ATOM 680 CB LYS A 82 2.601 1.975 -9.887 1.00 0.00 C ATOM 681 CG LYS A 82 3.127 3.363 -10.313 1.00 0.00 C ATOM 682 CD LYS A 82 3.162 3.623 -11.833 1.00 0.00 C ATOM 683 CE LYS A 82 1.787 3.561 -12.528 1.00 0.00 C ATOM 684 NZ LYS A 82 1.853 4.033 -13.923 1.00 0.00 N ATOM 0 H LYS A 82 1.262 0.275 -7.713 1.00 0.00 H new ATOM 0 HA LYS A 82 3.740 1.802 -8.091 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.157 1.212 -10.431 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.559 1.890 -10.195 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.505 4.127 -9.846 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.135 3.487 -9.918 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.600 4.605 -12.010 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.823 2.891 -12.298 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.417 2.536 -12.509 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.072 4.168 -11.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.908 3.975 -14.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.182 5.020 -13.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.516 3.438 -14.460 1.00 0.00 H new ATOM 685 N VAL A 83 2.314 3.285 -6.544 1.00 0.00 N ATOM 686 CA VAL A 83 1.537 4.219 -5.688 1.00 0.00 C ATOM 687 C VAL A 83 1.464 5.620 -6.343 1.00 0.00 C ATOM 688 O VAL A 83 2.485 6.194 -6.734 1.00 0.00 O ATOM 689 CB VAL A 83 2.063 4.231 -4.214 1.00 0.00 C ATOM 690 CG1 VAL A 83 3.396 4.958 -3.952 1.00 0.00 C ATOM 691 CG2 VAL A 83 1.028 4.708 -3.172 1.00 0.00 C ATOM 0 H VAL A 83 3.303 3.224 -6.300 1.00 0.00 H new ATOM 0 HA VAL A 83 0.510 3.860 -5.616 1.00 0.00 H new ATOM 0 HB VAL A 83 2.257 3.167 -4.081 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.645 4.891 -2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.186 4.492 -4.541 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.301 6.006 -4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.475 4.685 -2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.718 5.726 -3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.159 4.050 -3.194 1.00 0.00 H new ATOM 692 N SER A 84 0.248 6.182 -6.380 1.00 0.00 N ATOM 693 CA SER A 84 0.073 7.652 -6.363 1.00 0.00 C ATOM 694 C SER A 84 -0.538 8.025 -4.986 1.00 0.00 C ATOM 695 O SER A 84 -1.382 7.315 -4.428 1.00 0.00 O ATOM 696 CB SER A 84 -0.820 8.161 -7.513 1.00 0.00 C ATOM 697 OG SER A 84 -0.380 7.710 -8.787 1.00 0.00 O ATOM 0 H SER A 84 -0.623 5.654 -6.421 1.00 0.00 H new ATOM 0 HA SER A 84 1.041 8.131 -6.511 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.844 7.828 -7.347 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.834 9.251 -7.502 1.00 0.00 H new ATOM 0 HG SER A 84 -0.978 8.057 -9.481 1.00 0.00 H new ATOM 698 N ILE A 85 -0.105 9.180 -4.465 1.00 0.00 N ATOM 699 CA ILE A 85 -0.782 9.855 -3.323 1.00 0.00 C ATOM 700 C ILE A 85 -1.410 11.125 -3.930 1.00 0.00 C ATOM 701 O ILE A 85 -0.763 11.967 -4.555 1.00 0.00 O ATOM 702 CB ILE A 85 0.120 10.157 -2.080 1.00 0.00 C ATOM 703 CG1 ILE A 85 0.689 8.867 -1.443 1.00 0.00 C ATOM 704 CG2 ILE A 85 -0.560 11.019 -0.980 1.00 0.00 C ATOM 705 CD1 ILE A 85 -0.296 7.837 -0.856 1.00 0.00 C ATOM 0 H ILE A 85 0.715 9.678 -4.811 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.523 9.185 -2.887 1.00 0.00 H new ATOM 0 HB ILE A 85 0.935 10.753 -2.491 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.286 8.359 -2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.371 9.164 -0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.138 11.177 -0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.851 11.982 -1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.446 10.503 -0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.260 6.993 -0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.880 8.303 -0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.966 7.486 -1.641 1.00 0.00 H new ATOM 706 N TYR A 86 -2.704 11.204 -3.666 1.00 0.00 N ATOM 707 CA TYR A 86 -3.549 12.360 -4.044 1.00 0.00 C ATOM 708 C TYR A 86 -3.943 13.143 -2.761 1.00 0.00 C ATOM 709 O TYR A 86 -3.987 12.630 -1.638 1.00 0.00 O ATOM 710 CB TYR A 86 -4.779 11.874 -4.859 1.00 0.00 C ATOM 711 CG TYR A 86 -4.660 11.392 -6.323 1.00 0.00 C ATOM 712 CD1 TYR A 86 -3.462 11.070 -6.974 1.00 0.00 C ATOM 713 CD2 TYR A 86 -5.870 11.198 -7.006 1.00 0.00 C ATOM 714 CE1 TYR A 86 -3.479 10.545 -8.262 1.00 0.00 C ATOM 715 CE2 TYR A 86 -5.885 10.674 -8.293 1.00 0.00 C ATOM 716 CZ TYR A 86 -4.687 10.344 -8.918 1.00 0.00 C ATOM 717 OH TYR A 86 -4.703 9.802 -10.177 1.00 0.00 O ATOM 0 H TYR A 86 -3.216 10.468 -3.179 1.00 0.00 H new ATOM 0 HA TYR A 86 -2.998 13.044 -4.690 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.225 11.055 -4.295 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.500 12.692 -4.856 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -2.519 11.230 -6.473 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -6.801 11.459 -6.526 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -2.551 10.293 -8.753 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.823 10.524 -8.806 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.629 9.729 -10.490 1.00 0.00 H new ATOM 718 N ASP A 87 -4.228 14.432 -2.983 1.00 0.00 N ATOM 719 CA ASP A 87 -4.537 15.404 -1.904 1.00 0.00 C ATOM 720 C ASP A 87 -6.008 15.286 -1.395 1.00 0.00 C ATOM 721 O ASP A 87 -6.780 14.416 -1.817 1.00 0.00 O ATOM 722 CB ASP A 87 -4.173 16.829 -2.438 1.00 0.00 C ATOM 723 CG ASP A 87 -2.679 17.137 -2.593 1.00 0.00 C ATOM 724 OD1 ASP A 87 -1.907 16.899 -1.638 1.00 0.00 O ATOM 725 OD2 ASP A 87 -2.271 17.638 -3.664 1.00 0.00 O ATOM 0 H ASP A 87 -4.253 14.841 -3.917 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.939 15.189 -1.019 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.652 16.963 -3.408 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.606 17.568 -1.764 1.00 0.00 H new ATOM 726 N THR A 88 -6.393 16.195 -0.473 1.00 0.00 N ATOM 727 CA THR A 88 -7.820 16.430 -0.108 1.00 0.00 C ATOM 728 C THR A 88 -8.778 16.772 -1.299 1.00 0.00 C ATOM 729 O THR A 88 -9.880 16.222 -1.362 1.00 0.00 O ATOM 730 CB THR A 88 -8.001 17.384 1.118 1.00 0.00 C ATOM 731 OG1 THR A 88 -8.060 18.748 0.710 1.00 0.00 O ATOM 732 CG2 THR A 88 -7.007 17.275 2.290 1.00 0.00 C ATOM 0 H THR A 88 -5.736 16.784 0.038 1.00 0.00 H new ATOM 0 HA THR A 88 -8.157 15.445 0.217 1.00 0.00 H new ATOM 0 HB THR A 88 -8.945 17.021 1.524 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.175 19.320 1.497 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.269 18.003 3.058 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.050 16.271 2.712 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.997 17.474 1.931 1.00 0.00 H new ATOM 733 N LYS A 89 -8.336 17.634 -2.239 1.00 0.00 N ATOM 734 CA LYS A 89 -9.033 17.840 -3.537 1.00 0.00 C ATOM 735 C LYS A 89 -8.800 16.727 -4.616 1.00 0.00 C ATOM 736 O LYS A 89 -9.646 16.628 -5.507 1.00 0.00 O ATOM 737 CB LYS A 89 -8.703 19.253 -4.111 1.00 0.00 C ATOM 738 CG LYS A 89 -9.490 20.448 -3.519 1.00 0.00 C ATOM 739 CD LYS A 89 -9.119 20.871 -2.080 1.00 0.00 C ATOM 740 CE LYS A 89 -9.883 22.121 -1.612 1.00 0.00 C ATOM 741 NZ LYS A 89 -9.483 22.524 -0.250 1.00 0.00 N ATOM 0 H LYS A 89 -7.497 18.203 -2.127 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.095 17.767 -3.302 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.639 19.440 -3.963 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.876 19.232 -5.187 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.350 21.308 -4.174 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.552 20.201 -3.539 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.328 20.046 -1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.048 21.064 -2.028 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.697 22.942 -2.304 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.955 21.922 -1.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.018 23.370 0.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.683 21.749 0.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.465 22.737 -0.236 1.00 0.00 H new ATOM 742 N GLY A 90 -7.717 15.907 -4.577 1.00 0.00 N ATOM 743 CA GLY A 90 -7.492 14.839 -5.576 1.00 0.00 C ATOM 744 C GLY A 90 -6.430 15.239 -6.617 1.00 0.00 C ATOM 745 O GLY A 90 -6.784 15.508 -7.767 1.00 0.00 O ATOM 0 H GLY A 90 -6.990 15.968 -3.864 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.177 13.928 -5.068 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -8.430 14.613 -6.083 1.00 0.00 H new ATOM 746 N LYS A 91 -5.150 15.309 -6.199 1.00 0.00 N ATOM 747 CA LYS A 91 -4.065 15.894 -7.033 1.00 0.00 C ATOM 748 C LYS A 91 -2.714 15.205 -6.678 1.00 0.00 C ATOM 749 O LYS A 91 -2.243 15.267 -5.536 1.00 0.00 O ATOM 750 CB LYS A 91 -4.028 17.439 -6.858 1.00 0.00 C ATOM 751 CG LYS A 91 -3.096 18.188 -7.840 1.00 0.00 C ATOM 752 CD LYS A 91 -3.086 19.726 -7.708 1.00 0.00 C ATOM 753 CE LYS A 91 -4.417 20.419 -8.076 1.00 0.00 C ATOM 754 NZ LYS A 91 -4.280 21.887 -8.095 1.00 0.00 N ATOM 0 H LYS A 91 -4.836 14.969 -5.290 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.255 15.709 -8.090 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.040 17.827 -6.974 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.715 17.666 -5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.079 17.822 -7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.388 17.930 -8.858 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.829 19.986 -6.681 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.297 20.126 -8.345 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.750 20.072 -9.054 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.186 20.134 -7.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.193 22.318 -8.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.987 22.220 -7.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.564 22.160 -8.798 1.00 0.00 H new ATOM 755 N ASN A 92 -2.094 14.591 -7.707 1.00 0.00 N ATOM 756 CA ASN A 92 -0.795 13.860 -7.620 1.00 0.00 C ATOM 757 C ASN A 92 0.360 14.678 -6.952 1.00 0.00 C ATOM 758 O ASN A 92 0.808 15.698 -7.482 1.00 0.00 O ATOM 759 CB ASN A 92 -0.470 13.348 -9.062 1.00 0.00 C ATOM 760 CG ASN A 92 0.994 13.003 -9.426 1.00 0.00 C ATOM 761 OD1 ASN A 92 1.704 13.809 -10.034 1.00 0.00 O ATOM 762 ND2 ASN A 92 1.478 11.829 -9.061 1.00 0.00 N ATOM 0 H ASN A 92 -2.486 14.585 -8.649 1.00 0.00 H new ATOM 0 HA ASN A 92 -0.888 13.015 -6.938 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.071 12.456 -9.237 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -0.813 14.107 -9.765 1.00 0.00 H new ATOM 0 HD21 ASN A 92 2.443 11.585 -9.281 1.00 0.00 H new ATOM 0 HD22 ASN A 92 0.886 11.167 -8.559 1.00 0.00 H new ATOM 763 N VAL A 93 0.830 14.154 -5.809 1.00 0.00 N ATOM 764 CA VAL A 93 1.977 14.721 -5.050 1.00 0.00 C ATOM 765 C VAL A 93 3.104 13.646 -5.031 1.00 0.00 C ATOM 766 O VAL A 93 3.980 13.656 -5.905 1.00 0.00 O ATOM 767 CB VAL A 93 1.560 15.359 -3.673 1.00 0.00 C ATOM 768 CG1 VAL A 93 1.176 16.845 -3.830 1.00 0.00 C ATOM 769 CG2 VAL A 93 0.494 14.610 -2.834 1.00 0.00 C ATOM 0 H VAL A 93 0.430 13.322 -5.376 1.00 0.00 H new ATOM 0 HA VAL A 93 2.389 15.599 -5.547 1.00 0.00 H new ATOM 0 HB VAL A 93 2.471 15.258 -3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.894 17.252 -2.859 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.027 17.401 -4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.336 16.933 -4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.303 15.161 -1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.430 14.530 -3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.858 13.612 -2.591 1.00 0.00 H new ATOM 770 N LEU A 94 3.068 12.734 -4.052 1.00 0.00 N ATOM 771 CA LEU A 94 4.108 11.684 -3.857 1.00 0.00 C ATOM 772 C LEU A 94 3.788 10.459 -4.756 1.00 0.00 C ATOM 773 O LEU A 94 2.774 9.785 -4.560 1.00 0.00 O ATOM 774 CB LEU A 94 4.212 11.345 -2.337 1.00 0.00 C ATOM 775 CG LEU A 94 5.311 10.366 -1.825 1.00 0.00 C ATOM 776 CD1 LEU A 94 4.989 8.872 -2.040 1.00 0.00 C ATOM 777 CD2 LEU A 94 6.733 10.710 -2.314 1.00 0.00 C ATOM 0 H LEU A 94 2.318 12.693 -3.362 1.00 0.00 H new ATOM 0 HA LEU A 94 5.091 12.038 -4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.345 12.287 -1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.248 10.938 -2.030 1.00 0.00 H new ATOM 0 HG LEU A 94 5.300 10.526 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.807 8.264 -1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.069 8.619 -1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.863 8.677 -3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.441 9.983 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.760 10.683 -3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.005 11.708 -1.969 1.00 0.00 H new ATOM 778 N GLU A 95 4.678 10.193 -5.731 1.00 0.00 N ATOM 779 CA GLU A 95 4.535 9.063 -6.686 1.00 0.00 C ATOM 780 C GLU A 95 5.814 8.181 -6.585 1.00 0.00 C ATOM 781 O GLU A 95 6.927 8.633 -6.873 1.00 0.00 O ATOM 782 CB GLU A 95 4.283 9.608 -8.120 1.00 0.00 C ATOM 783 CG GLU A 95 3.628 8.628 -9.122 1.00 0.00 C ATOM 784 CD GLU A 95 4.515 7.466 -9.586 1.00 0.00 C ATOM 785 OE1 GLU A 95 5.499 7.706 -10.318 1.00 0.00 O ATOM 786 OE2 GLU A 95 4.234 6.306 -9.213 1.00 0.00 O ATOM 0 H GLU A 95 5.518 10.751 -5.884 1.00 0.00 H new ATOM 0 HA GLU A 95 3.673 8.442 -6.441 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.650 10.492 -8.043 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.237 9.934 -8.534 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.729 8.215 -8.665 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.310 9.192 -9.999 1.00 0.00 H new ATOM 787 N LYS A 96 5.618 6.918 -6.176 1.00 0.00 N ATOM 788 CA LYS A 96 6.701 5.903 -6.047 1.00 0.00 C ATOM 789 C LYS A 96 6.230 4.579 -6.735 1.00 0.00 C ATOM 790 O LYS A 96 5.045 4.373 -7.020 1.00 0.00 O ATOM 791 CB LYS A 96 7.053 5.716 -4.541 1.00 0.00 C ATOM 792 CG LYS A 96 7.749 6.889 -3.810 1.00 0.00 C ATOM 793 CD LYS A 96 9.246 7.080 -4.141 1.00 0.00 C ATOM 794 CE LYS A 96 9.933 8.212 -3.349 1.00 0.00 C ATOM 795 NZ LYS A 96 10.081 7.908 -1.915 1.00 0.00 N ATOM 0 H LYS A 96 4.698 6.559 -5.921 1.00 0.00 H new ATOM 0 HA LYS A 96 7.613 6.227 -6.548 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.130 5.490 -4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.695 4.839 -4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.220 7.811 -4.052 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.648 6.736 -2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.771 6.145 -3.945 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.347 7.285 -5.207 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.917 8.401 -3.777 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.355 9.129 -3.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.756 8.720 -1.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.511 7.071 -1.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.081 7.718 -1.702 1.00 0.00 H new ATOM 796 N ILE A 97 7.182 3.687 -7.060 1.00 0.00 N ATOM 797 CA ILE A 97 6.948 2.513 -7.960 1.00 0.00 C ATOM 798 C ILE A 97 7.419 1.224 -7.199 1.00 0.00 C ATOM 799 O ILE A 97 8.357 1.254 -6.395 1.00 0.00 O ATOM 800 CB ILE A 97 7.605 2.722 -9.376 1.00 0.00 C ATOM 801 CG1 ILE A 97 7.338 4.122 -10.025 1.00 0.00 C ATOM 802 CG2 ILE A 97 7.183 1.604 -10.365 1.00 0.00 C ATOM 803 CD1 ILE A 97 8.109 4.464 -11.310 1.00 0.00 C ATOM 0 H ILE A 97 8.139 3.748 -6.713 1.00 0.00 H new ATOM 0 HA ILE A 97 5.888 2.398 -8.187 1.00 0.00 H new ATOM 0 HB ILE A 97 8.677 2.671 -9.185 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.272 4.195 -10.242 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.565 4.887 -9.282 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.653 1.778 -11.333 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.499 0.636 -9.976 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.099 1.612 -10.482 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.827 5.461 -11.649 1.00 0.00 H new ATOM 0 HD12 ILE A 97 9.180 4.438 -11.109 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.867 3.736 -12.084 1.00 0.00 H new ATOM 804 N PHE A 98 6.689 0.109 -7.383 1.00 0.00 N ATOM 805 CA PHE A 98 6.747 -1.066 -6.458 1.00 0.00 C ATOM 806 C PHE A 98 6.557 -2.409 -7.217 1.00 0.00 C ATOM 807 O PHE A 98 6.041 -2.446 -8.341 1.00 0.00 O ATOM 808 CB PHE A 98 5.637 -0.891 -5.380 1.00 0.00 C ATOM 809 CG PHE A 98 6.001 0.126 -4.293 1.00 0.00 C ATOM 810 CD1 PHE A 98 6.777 -0.264 -3.196 1.00 0.00 C ATOM 811 CD2 PHE A 98 5.646 1.471 -4.435 1.00 0.00 C ATOM 812 CE1 PHE A 98 7.185 0.678 -2.259 1.00 0.00 C ATOM 813 CE2 PHE A 98 6.077 2.412 -3.509 1.00 0.00 C ATOM 814 CZ PHE A 98 6.845 2.018 -2.419 1.00 0.00 C ATOM 0 H PHE A 98 6.045 -0.015 -8.164 1.00 0.00 H new ATOM 0 HA PHE A 98 7.731 -1.104 -5.991 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.714 -0.577 -5.867 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.439 -1.856 -4.913 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.060 -1.300 -3.077 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.033 1.780 -5.269 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.768 0.369 -1.404 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.815 3.452 -3.636 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.177 2.750 -1.698 1.00 0.00 H new ATOM 815 N ASP A 99 6.997 -3.539 -6.623 1.00 0.00 N ATOM 816 CA ASP A 99 7.023 -4.847 -7.353 1.00 0.00 C ATOM 817 C ASP A 99 6.961 -6.021 -6.344 1.00 0.00 C ATOM 818 O ASP A 99 7.999 -6.240 -5.712 1.00 0.00 O ATOM 819 CB ASP A 99 8.318 -5.010 -8.223 1.00 0.00 C ATOM 820 CG ASP A 99 8.547 -4.075 -9.416 1.00 0.00 C ATOM 821 OD1 ASP A 99 9.025 -2.937 -9.212 1.00 0.00 O ATOM 822 OD2 ASP A 99 8.281 -4.485 -10.566 1.00 0.00 O ATOM 0 H ASP A 99 7.334 -3.585 -5.661 1.00 0.00 H new ATOM 0 HA ASP A 99 6.155 -4.860 -8.013 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.175 -4.906 -7.557 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.331 -6.032 -8.602 1.00 0.00 H new ATOM 823 N LEU A 100 5.877 -6.846 -6.201 1.00 0.00 N ATOM 824 CA LEU A 100 5.984 -8.023 -5.285 1.00 0.00 C ATOM 825 C LEU A 100 6.525 -9.282 -6.011 1.00 0.00 C ATOM 826 O LEU A 100 5.770 -10.092 -6.558 1.00 0.00 O ATOM 827 CB LEU A 100 4.677 -8.208 -4.502 1.00 0.00 C ATOM 828 CG LEU A 100 4.445 -7.086 -3.443 1.00 0.00 C ATOM 829 CD1 LEU A 100 3.131 -6.343 -3.698 1.00 0.00 C ATOM 830 CD2 LEU A 100 4.552 -7.618 -2.011 1.00 0.00 C ATOM 0 H LEU A 100 4.980 -6.731 -6.672 1.00 0.00 H new ATOM 0 HA LEU A 100 6.745 -7.831 -4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.839 -8.222 -5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.692 -9.176 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 100 5.247 -6.357 -3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.999 -5.568 -2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.158 -5.886 -4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.300 -7.046 -3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.384 -6.803 -1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.803 -8.394 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.546 -8.036 -1.851 1.00 0.00 H new ATOM 831 N LYS A 101 7.866 -9.407 -5.966 1.00 0.00 N ATOM 832 CA LYS A 101 8.610 -10.586 -6.471 1.00 0.00 C ATOM 833 C LYS A 101 8.936 -11.529 -5.281 1.00 0.00 C ATOM 834 O LYS A 101 9.193 -11.104 -4.149 1.00 0.00 O ATOM 835 CB LYS A 101 9.905 -10.155 -7.207 1.00 0.00 C ATOM 836 CG LYS A 101 9.667 -9.480 -8.577 1.00 0.00 C ATOM 837 CD LYS A 101 10.967 -9.110 -9.305 1.00 0.00 C ATOM 838 CE LYS A 101 10.708 -8.504 -10.699 1.00 0.00 C ATOM 839 NZ LYS A 101 11.963 -8.216 -11.418 1.00 0.00 N ATOM 0 H LYS A 101 8.473 -8.687 -5.575 1.00 0.00 H new ATOM 0 HA LYS A 101 7.990 -11.118 -7.193 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.459 -9.467 -6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.535 -11.033 -7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.083 -10.150 -9.208 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.071 -8.579 -8.432 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.528 -8.397 -8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.588 -10.000 -9.408 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.103 -9.194 -11.288 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.132 -7.585 -10.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 11.744 -7.810 -12.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.530 -7.538 -10.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.502 -9.097 -11.542 1.00 0.00 H new ATOM 840 N ILE A 102 8.891 -12.833 -5.574 1.00 0.00 N ATOM 841 CA ILE A 102 8.806 -13.897 -4.530 1.00 0.00 C ATOM 842 C ILE A 102 10.224 -14.515 -4.351 1.00 0.00 C ATOM 843 O ILE A 102 10.911 -14.811 -5.334 1.00 0.00 O ATOM 844 CB ILE A 102 7.697 -14.950 -4.886 1.00 0.00 C ATOM 845 CG1 ILE A 102 6.329 -14.366 -5.365 1.00 0.00 C ATOM 846 CG2 ILE A 102 7.428 -15.963 -3.744 1.00 0.00 C ATOM 847 CD1 ILE A 102 5.618 -13.371 -4.437 1.00 0.00 C ATOM 0 H ILE A 102 8.911 -13.193 -6.528 1.00 0.00 H new ATOM 0 HA ILE A 102 8.497 -13.478 -3.572 1.00 0.00 H new ATOM 0 HB ILE A 102 8.143 -15.459 -5.741 1.00 0.00 H new ATOM 0 HG12 ILE A 102 6.491 -13.874 -6.324 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.652 -15.201 -5.545 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.652 -16.663 -4.054 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.343 -16.512 -3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.100 -15.428 -2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.683 -13.049 -4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.407 -13.852 -3.482 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.259 -12.505 -4.273 1.00 0.00 H new ATOM 848 N GLN A 103 10.645 -14.724 -3.087 1.00 0.00 N ATOM 849 CA GLN A 103 12.002 -15.256 -2.763 1.00 0.00 C ATOM 850 C GLN A 103 12.154 -16.750 -3.186 1.00 0.00 C ATOM 851 O GLN A 103 11.312 -17.596 -2.863 1.00 0.00 O ATOM 852 CB GLN A 103 12.321 -15.073 -1.255 1.00 0.00 C ATOM 853 CG GLN A 103 12.521 -13.605 -0.809 1.00 0.00 C ATOM 854 CD GLN A 103 12.811 -13.419 0.695 1.00 0.00 C ATOM 855 OE1 GLN A 103 13.346 -14.290 1.381 1.00 0.00 O ATOM 856 NE2 GLN A 103 12.477 -12.259 1.234 1.00 0.00 N ATOM 0 H GLN A 103 10.070 -14.535 -2.266 1.00 0.00 H new ATOM 0 HA GLN A 103 12.725 -14.679 -3.340 1.00 0.00 H new ATOM 0 HB2 GLN A 103 11.510 -15.508 -0.671 1.00 0.00 H new ATOM 0 HB3 GLN A 103 13.223 -15.637 -1.018 1.00 0.00 H new ATOM 0 HG2 GLN A 103 13.345 -13.176 -1.379 1.00 0.00 H new ATOM 0 HG3 GLN A 103 11.626 -13.037 -1.065 1.00 0.00 H new ATOM 0 HE21 GLN A 103 12.034 -11.540 0.662 1.00 0.00 H new ATOM 0 HE22 GLN A 103 12.662 -12.083 2.221 1.00 0.00 H new ATOM 857 N GLU A 104 13.225 -17.032 -3.953 1.00 0.00 N ATOM 858 CA GLU A 104 13.465 -18.358 -4.581 1.00 0.00 C ATOM 859 C GLU A 104 14.996 -18.592 -4.621 1.00 0.00 C ATOM 860 O GLU A 104 15.695 -18.236 -5.580 1.00 0.00 O ATOM 861 CB GLU A 104 12.763 -18.551 -5.955 1.00 0.00 C ATOM 862 CG GLU A 104 12.854 -17.401 -6.991 1.00 0.00 C ATOM 863 CD GLU A 104 12.174 -17.730 -8.321 1.00 0.00 C ATOM 864 OE1 GLU A 104 10.933 -17.610 -8.411 1.00 0.00 O ATOM 865 OE2 GLU A 104 12.879 -18.101 -9.284 1.00 0.00 O ATOM 0 H GLU A 104 13.954 -16.349 -4.159 1.00 0.00 H new ATOM 0 HA GLU A 104 12.995 -19.130 -3.971 1.00 0.00 H new ATOM 0 HB2 GLU A 104 13.175 -19.448 -6.416 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.707 -18.746 -5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.398 -16.505 -6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.903 -17.169 -7.175 1.00 0.00 H new ATOM 866 N ARG A 105 15.483 -19.195 -3.531 1.00 0.00 N ATOM 867 CA ARG A 105 16.928 -19.462 -3.296 1.00 0.00 C ATOM 868 C ARG A 105 17.265 -20.953 -3.527 1.00 0.00 C ATOM 869 O ARG A 105 18.179 -21.234 -4.334 1.00 0.00 O ATOM 870 CB ARG A 105 17.389 -18.921 -1.915 1.00 0.00 C ATOM 871 CG ARG A 105 16.728 -19.500 -0.638 1.00 0.00 C ATOM 872 CD ARG A 105 17.209 -18.786 0.637 1.00 0.00 C ATOM 873 NE ARG A 105 16.544 -19.323 1.847 1.00 0.00 N ATOM 874 CZ ARG A 105 16.674 -18.798 3.081 1.00 0.00 C ATOM 875 NH1 ARG A 105 17.421 -17.729 3.358 1.00 0.00 N ATOM 876 NH2 ARG A 105 16.027 -19.375 4.077 1.00 0.00 N ATOM 877 OXT ARG A 105 16.633 -21.842 -2.914 1.00 0.00 O ATOM 0 H ARG A 105 14.886 -19.520 -2.770 1.00 0.00 H new ATOM 0 HA ARG A 105 17.507 -18.908 -4.035 1.00 0.00 H new ATOM 0 HB2 ARG A 105 18.464 -19.085 -1.836 1.00 0.00 H new ATOM 0 HB3 ARG A 105 17.230 -17.843 -1.911 1.00 0.00 H new ATOM 0 HG2 ARG A 105 15.645 -19.408 -0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 105 16.953 -20.564 -0.564 1.00 0.00 H new ATOM 0 HD2 ARG A 105 18.289 -18.901 0.733 1.00 0.00 H new ATOM 0 HD3 ARG A 105 17.008 -17.718 0.554 1.00 0.00 H new ATOM 0 HE ARG A 105 15.949 -20.144 1.739 1.00 0.00 H new ATOM 0 HH11 ARG A 105 17.936 -17.260 2.613 1.00 0.00 H new ATOM 0 HH12 ARG A 105 17.478 -17.380 4.315 1.00 0.00 H new ATOM 0 HH21 ARG A 105 15.448 -20.196 3.901 1.00 0.00 H new ATOM 0 HH22 ARG A 105 16.106 -19.000 5.022 1.00 0.00 H new