USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 596 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 28 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 19 SER OG : rot -150:sc= 0 USER MOD Set 2.2: A 21 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0235) USER MOD Single : A 1 HIS : no HD1:sc= -0.0857 X(o=-0.086,f=-0.33) USER MOD Single : A 1 HIS N :NH3+ 137:sc= 0.0435 (180deg=-0.119) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -66:sc= 0.633 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.965 K(o=-0.96,f=-6!) USER MOD Single : A 20 GLN :FLIP amide:sc= -0.324 F(o=-2.1,f=-0.32) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.119 K(o=-0.12,f=-0.95) USER MOD Single : A 33 LYS NZ :NH3+ 154:sc= -0.137 (180deg=-0.541) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS :FLIP no HE2:sc= -0.906 F(o=-1.5,f=-0.91) USER MOD Single : A 38 THR OG1 : rot -46:sc= 0.0429 USER MOD Single : A 39 ASN : amide:sc= -3.02! C(o=-3!,f=-3.9!) USER MOD Single : A 40 LYS NZ :NH3+ 150:sc= 0.499 (180deg=0.0413) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.48) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc=-0.00691 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.24) USER MOD Single : A 68 TYR OH : rot 30:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 3.547 0.336 -1.830 1.00 32.51 N ATOM 2 CA HIS A 1 2.111 0.211 -2.055 1.00 10.23 C ATOM 3 C HIS A 1 1.746 -1.214 -2.459 1.00 52.12 C ATOM 4 O HIS A 1 2.612 -2.083 -2.554 1.00 35.42 O ATOM 5 CB HIS A 1 1.656 1.193 -3.135 1.00 34.12 C ATOM 6 CG HIS A 1 2.428 1.078 -4.413 1.00 31.11 C ATOM 7 ND1 HIS A 1 2.165 0.118 -5.367 1.00 51.24 N ATOM 8 CD2 HIS A 1 3.460 1.810 -4.892 1.00 44.23 C ATOM 9 CE1 HIS A 1 3.003 0.264 -6.378 1.00 2.01 C ATOM 10 NE2 HIS A 1 3.800 1.284 -6.115 1.00 14.33 N ATOM 0 H1 HIS A 1 3.890 1.219 -2.259 1.00 32.51 H new ATOM 0 H2 HIS A 1 3.738 0.350 -0.808 1.00 32.51 H new ATOM 0 H3 HIS A 1 4.038 -0.472 -2.263 1.00 32.51 H new ATOM 0 HA HIS A 1 1.600 0.447 -1.122 1.00 10.23 H new ATOM 0 HB2 HIS A 1 0.599 1.028 -3.343 1.00 34.12 H new ATOM 0 HB3 HIS A 1 1.751 2.210 -2.753 1.00 34.12 H new ATOM 0 HD2 HIS A 1 3.929 2.651 -4.404 1.00 44.23 H new ATOM 0 HE1 HIS A 1 3.032 -0.347 -7.268 1.00 2.01 H new ATOM 0 HE2 HIS A 1 4.546 1.625 -6.721 1.00 14.33 H new ATOM 18 N MET A 2 0.459 -1.445 -2.696 1.00 33.32 N ATOM 19 CA MET A 2 -0.020 -2.765 -3.090 1.00 72.04 C ATOM 20 C MET A 2 -0.909 -2.674 -4.327 1.00 0.43 C ATOM 21 O MET A 2 -1.610 -1.681 -4.528 1.00 11.03 O ATOM 22 CB MET A 2 -0.791 -3.416 -1.941 1.00 33.24 C ATOM 23 CG MET A 2 0.098 -3.883 -0.800 1.00 3.33 C ATOM 24 SD MET A 2 0.787 -5.525 -1.083 1.00 42.30 S ATOM 25 CE MET A 2 -0.245 -6.516 -0.005 1.00 41.54 C ATOM 0 H MET A 2 -0.271 -0.736 -2.622 1.00 33.32 H new ATOM 0 HA MET A 2 0.846 -3.381 -3.331 1.00 72.04 H new ATOM 0 HB2 MET A 2 -1.520 -2.704 -1.554 1.00 33.24 H new ATOM 0 HB3 MET A 2 -1.351 -4.268 -2.327 1.00 33.24 H new ATOM 0 HG2 MET A 2 0.912 -3.171 -0.664 1.00 3.33 H new ATOM 0 HG3 MET A 2 -0.478 -3.890 0.125 1.00 3.33 H new ATOM 0 HE1 MET A 2 0.059 -7.561 -0.069 1.00 41.54 H new ATOM 0 HE2 MET A 2 -0.136 -6.169 1.023 1.00 41.54 H new ATOM 0 HE3 MET A 2 -1.287 -6.422 -0.311 1.00 41.54 H new ATOM 35 N LEU A 3 -0.875 -3.714 -5.152 1.00 51.33 N ATOM 36 CA LEU A 3 -1.678 -3.751 -6.370 1.00 1.41 C ATOM 37 C LEU A 3 -3.131 -4.092 -6.054 1.00 65.32 C ATOM 38 O LEU A 3 -3.429 -5.176 -5.554 1.00 61.54 O ATOM 39 CB LEU A 3 -1.103 -4.773 -7.352 1.00 54.33 C ATOM 40 CG LEU A 3 -1.338 -4.484 -8.835 1.00 41.33 C ATOM 41 CD1 LEU A 3 -2.827 -4.449 -9.144 1.00 22.15 C ATOM 42 CD2 LEU A 3 -0.678 -3.171 -9.234 1.00 34.43 C ATOM 0 H LEU A 3 -0.300 -4.543 -5.000 1.00 51.33 H new ATOM 0 HA LEU A 3 -1.648 -2.762 -6.826 1.00 1.41 H new ATOM 0 HB2 LEU A 3 -0.029 -4.846 -7.182 1.00 54.33 H new ATOM 0 HB3 LEU A 3 -1.529 -5.749 -7.121 1.00 54.33 H new ATOM 0 HG LEU A 3 -0.886 -5.287 -9.417 1.00 41.33 H new ATOM 0 HD11 LEU A 3 -2.974 -4.242 -10.204 1.00 22.15 H new ATOM 0 HD12 LEU A 3 -3.273 -5.413 -8.897 1.00 22.15 H new ATOM 0 HD13 LEU A 3 -3.303 -3.667 -8.552 1.00 22.15 H new ATOM 0 HD21 LEU A 3 -0.856 -2.981 -10.293 1.00 34.43 H new ATOM 0 HD22 LEU A 3 -1.100 -2.358 -8.644 1.00 34.43 H new ATOM 0 HD23 LEU A 3 0.395 -3.233 -9.051 1.00 34.43 H new ATOM 54 N ALA A 4 -4.030 -3.160 -6.352 1.00 33.54 N ATOM 55 CA ALA A 4 -5.452 -3.365 -6.104 1.00 10.44 C ATOM 56 C ALA A 4 -5.975 -4.574 -6.871 1.00 51.13 C ATOM 57 O ALA A 4 -5.729 -4.716 -8.069 1.00 54.14 O ATOM 58 CB ALA A 4 -6.238 -2.117 -6.480 1.00 61.55 C ATOM 0 H ALA A 4 -3.799 -2.256 -6.765 1.00 33.54 H new ATOM 0 HA ALA A 4 -5.586 -3.559 -5.040 1.00 10.44 H new ATOM 0 HB1 ALA A 4 -7.298 -2.284 -6.290 1.00 61.55 H new ATOM 0 HB2 ALA A 4 -5.890 -1.274 -5.882 1.00 61.55 H new ATOM 0 HB3 ALA A 4 -6.089 -1.898 -7.537 1.00 61.55 H new ATOM 64 N LYS A 5 -6.697 -5.444 -6.174 1.00 32.40 N ATOM 65 CA LYS A 5 -7.256 -6.642 -6.789 1.00 71.33 C ATOM 66 C LYS A 5 -8.079 -6.287 -8.023 1.00 54.42 C ATOM 67 O LYS A 5 -9.079 -5.575 -7.929 1.00 22.01 O ATOM 68 CB LYS A 5 -8.126 -7.399 -5.783 1.00 54.22 C ATOM 69 CG LYS A 5 -9.245 -6.558 -5.193 1.00 2.41 C ATOM 70 CD LYS A 5 -9.593 -7.003 -3.783 1.00 31.43 C ATOM 71 CE LYS A 5 -10.670 -6.122 -3.170 1.00 15.04 C ATOM 72 NZ LYS A 5 -11.139 -6.650 -1.858 1.00 40.42 N ATOM 0 H LYS A 5 -6.909 -5.342 -5.182 1.00 32.40 H new ATOM 0 HA LYS A 5 -6.429 -7.281 -7.097 1.00 71.33 H new ATOM 0 HB2 LYS A 5 -8.558 -8.271 -6.273 1.00 54.22 H new ATOM 0 HB3 LYS A 5 -7.495 -7.768 -4.974 1.00 54.22 H new ATOM 0 HG2 LYS A 5 -8.946 -5.510 -5.181 1.00 2.41 H new ATOM 0 HG3 LYS A 5 -10.129 -6.630 -5.827 1.00 2.41 H new ATOM 0 HD2 LYS A 5 -9.935 -8.038 -3.801 1.00 31.43 H new ATOM 0 HD3 LYS A 5 -8.699 -6.973 -3.160 1.00 31.43 H new ATOM 0 HE2 LYS A 5 -10.281 -5.112 -3.037 1.00 15.04 H new ATOM 0 HE3 LYS A 5 -11.514 -6.051 -3.856 1.00 15.04 H new ATOM 0 HZ1 LYS A 5 -11.873 -6.021 -1.473 1.00 40.42 H new ATOM 0 HZ2 LYS A 5 -11.534 -7.603 -1.988 1.00 40.42 H new ATOM 0 HZ3 LYS A 5 -10.339 -6.694 -1.195 1.00 40.42 H new ATOM 86 N GLU A 6 -7.653 -6.788 -9.178 1.00 51.23 N ATOM 87 CA GLU A 6 -8.353 -6.522 -10.430 1.00 24.41 C ATOM 88 C GLU A 6 -9.000 -7.794 -10.971 1.00 51.45 C ATOM 89 O GLU A 6 -8.390 -8.863 -10.971 1.00 3.25 O ATOM 90 CB GLU A 6 -7.387 -5.947 -11.468 1.00 25.13 C ATOM 91 CG GLU A 6 -6.078 -6.712 -11.571 1.00 22.00 C ATOM 92 CD GLU A 6 -5.094 -6.060 -12.523 1.00 54.13 C ATOM 93 OE1 GLU A 6 -3.972 -6.587 -12.671 1.00 0.33 O ATOM 94 OE2 GLU A 6 -5.448 -5.022 -13.121 1.00 71.14 O ATOM 0 H GLU A 6 -6.828 -7.380 -9.273 1.00 51.23 H new ATOM 0 HA GLU A 6 -9.137 -5.792 -10.231 1.00 24.41 H new ATOM 0 HB2 GLU A 6 -7.874 -5.944 -12.443 1.00 25.13 H new ATOM 0 HB3 GLU A 6 -7.172 -4.908 -11.216 1.00 25.13 H new ATOM 0 HG2 GLU A 6 -5.626 -6.786 -10.582 1.00 22.00 H new ATOM 0 HG3 GLU A 6 -6.281 -7.729 -11.905 1.00 22.00 H new ATOM 101 N ASP A 7 -10.240 -7.669 -11.433 1.00 4.34 N ATOM 102 CA ASP A 7 -10.971 -8.807 -11.978 1.00 1.43 C ATOM 103 C ASP A 7 -10.608 -9.035 -13.442 1.00 24.24 C ATOM 104 O ASP A 7 -10.108 -8.134 -14.116 1.00 32.12 O ATOM 105 CB ASP A 7 -12.478 -8.584 -11.842 1.00 50.32 C ATOM 106 CG ASP A 7 -12.900 -8.336 -10.407 1.00 41.03 C ATOM 107 OD1 ASP A 7 -13.562 -9.219 -9.823 1.00 50.22 O ATOM 108 OD2 ASP A 7 -12.569 -7.259 -9.869 1.00 3.23 O ATOM 0 H ASP A 7 -10.759 -6.791 -11.441 1.00 4.34 H new ATOM 0 HA ASP A 7 -10.690 -9.694 -11.410 1.00 1.43 H new ATOM 0 HB2 ASP A 7 -12.773 -7.734 -12.457 1.00 50.32 H new ATOM 0 HB3 ASP A 7 -13.007 -9.455 -12.228 1.00 50.32 H new ATOM 113 N TYR A 8 -10.861 -10.246 -13.926 1.00 45.23 N ATOM 114 CA TYR A 8 -10.557 -10.594 -15.309 1.00 61.12 C ATOM 115 C TYR A 8 -11.282 -9.664 -16.277 1.00 42.11 C ATOM 116 O TYR A 8 -10.823 -9.433 -17.396 1.00 65.40 O ATOM 117 CB TYR A 8 -10.949 -12.046 -15.589 1.00 41.24 C ATOM 118 CG TYR A 8 -10.452 -13.020 -14.545 1.00 13.43 C ATOM 119 CD1 TYR A 8 -11.270 -14.038 -14.072 1.00 23.44 C ATOM 120 CD2 TYR A 8 -9.165 -12.921 -14.031 1.00 63.15 C ATOM 121 CE1 TYR A 8 -10.820 -14.930 -13.117 1.00 12.44 C ATOM 122 CE2 TYR A 8 -8.706 -13.809 -13.077 1.00 52.24 C ATOM 123 CZ TYR A 8 -9.538 -14.811 -12.623 1.00 2.12 C ATOM 124 OH TYR A 8 -9.086 -15.698 -11.673 1.00 2.45 O ATOM 0 H TYR A 8 -11.275 -11.003 -13.382 1.00 45.23 H new ATOM 0 HA TYR A 8 -9.483 -10.479 -15.459 1.00 61.12 H new ATOM 0 HB2 TYR A 8 -12.035 -12.115 -15.650 1.00 41.24 H new ATOM 0 HB3 TYR A 8 -10.556 -12.338 -16.563 1.00 41.24 H new ATOM 0 HD1 TYR A 8 -12.274 -14.134 -14.457 1.00 23.44 H new ATOM 0 HD2 TYR A 8 -8.512 -12.136 -14.383 1.00 63.15 H new ATOM 0 HE1 TYR A 8 -11.469 -15.716 -12.760 1.00 12.44 H new ATOM 0 HE2 TYR A 8 -7.702 -13.719 -12.689 1.00 52.24 H new ATOM 0 HH TYR A 8 -9.593 -15.576 -10.844 1.00 2.45 H new ATOM 134 N TYR A 9 -12.417 -9.132 -15.838 1.00 22.04 N ATOM 135 CA TYR A 9 -13.208 -8.228 -16.664 1.00 44.02 C ATOM 136 C TYR A 9 -12.363 -7.054 -17.149 1.00 41.31 C ATOM 137 O TYR A 9 -12.377 -6.712 -18.331 1.00 62.34 O ATOM 138 CB TYR A 9 -14.416 -7.712 -15.881 1.00 21.33 C ATOM 139 CG TYR A 9 -15.295 -8.812 -15.330 1.00 23.42 C ATOM 140 CD1 TYR A 9 -15.273 -9.134 -13.978 1.00 74.02 C ATOM 141 CD2 TYR A 9 -16.146 -9.531 -16.161 1.00 5.14 C ATOM 142 CE1 TYR A 9 -16.074 -10.139 -13.470 1.00 50.23 C ATOM 143 CE2 TYR A 9 -16.951 -10.536 -15.661 1.00 63.23 C ATOM 144 CZ TYR A 9 -16.911 -10.837 -14.316 1.00 12.43 C ATOM 145 OH TYR A 9 -17.711 -11.838 -13.815 1.00 23.34 O ATOM 0 H TYR A 9 -12.810 -9.311 -14.914 1.00 22.04 H new ATOM 0 HA TYR A 9 -13.558 -8.784 -17.533 1.00 44.02 H new ATOM 0 HB2 TYR A 9 -14.066 -7.091 -15.057 1.00 21.33 H new ATOM 0 HB3 TYR A 9 -15.013 -7.072 -16.531 1.00 21.33 H new ATOM 0 HD1 TYR A 9 -14.619 -8.589 -13.313 1.00 74.02 H new ATOM 0 HD2 TYR A 9 -16.178 -9.300 -17.216 1.00 5.14 H new ATOM 0 HE1 TYR A 9 -16.045 -10.377 -12.417 1.00 50.23 H new ATOM 0 HE2 TYR A 9 -17.608 -11.083 -16.320 1.00 63.23 H new ATOM 0 HH TYR A 9 -18.240 -12.228 -14.542 1.00 23.34 H new ATOM 155 N GLN A 10 -11.628 -6.441 -16.226 1.00 53.14 N ATOM 156 CA GLN A 10 -10.777 -5.305 -16.559 1.00 50.21 C ATOM 157 C GLN A 10 -9.519 -5.763 -17.289 1.00 4.22 C ATOM 158 O GLN A 10 -8.984 -5.045 -18.134 1.00 40.14 O ATOM 159 CB GLN A 10 -10.395 -4.538 -15.292 1.00 35.03 C ATOM 160 CG GLN A 10 -11.593 -4.032 -14.503 1.00 44.23 C ATOM 161 CD GLN A 10 -12.223 -2.802 -15.125 1.00 53.45 C ATOM 162 OE1 GLN A 10 -11.678 -1.701 -15.042 1.00 40.32 O ATOM 163 NE2 GLN A 10 -13.379 -2.982 -15.754 1.00 62.23 N ATOM 0 H GLN A 10 -11.605 -6.712 -15.243 1.00 53.14 H new ATOM 0 HA GLN A 10 -11.338 -4.644 -17.220 1.00 50.21 H new ATOM 0 HB2 GLN A 10 -9.796 -5.186 -14.652 1.00 35.03 H new ATOM 0 HB3 GLN A 10 -9.766 -3.691 -15.566 1.00 35.03 H new ATOM 0 HG2 GLN A 10 -12.340 -4.823 -14.436 1.00 44.23 H new ATOM 0 HG3 GLN A 10 -11.281 -3.800 -13.485 1.00 44.23 H new ATOM 0 HE21 GLN A 10 -13.796 -3.912 -15.799 1.00 62.23 H new ATOM 0 HE22 GLN A 10 -13.850 -2.190 -16.192 1.00 62.23 H new ATOM 172 N ILE A 11 -9.051 -6.961 -16.956 1.00 23.00 N ATOM 173 CA ILE A 11 -7.856 -7.514 -17.580 1.00 65.34 C ATOM 174 C ILE A 11 -8.084 -7.782 -19.064 1.00 51.42 C ATOM 175 O ILE A 11 -7.137 -7.836 -19.850 1.00 22.33 O ATOM 176 CB ILE A 11 -7.417 -8.823 -16.896 1.00 51.42 C ATOM 177 CG1 ILE A 11 -7.143 -8.580 -15.411 1.00 10.24 C ATOM 178 CG2 ILE A 11 -6.184 -9.391 -17.582 1.00 21.41 C ATOM 179 CD1 ILE A 11 -6.944 -9.852 -14.617 1.00 71.10 C ATOM 0 H ILE A 11 -9.481 -7.567 -16.258 1.00 23.00 H new ATOM 0 HA ILE A 11 -7.068 -6.770 -17.464 1.00 65.34 H new ATOM 0 HB ILE A 11 -8.224 -9.550 -16.983 1.00 51.42 H new ATOM 0 HG12 ILE A 11 -6.255 -7.956 -15.311 1.00 10.24 H new ATOM 0 HG13 ILE A 11 -7.975 -8.021 -14.983 1.00 10.24 H new ATOM 0 HG21 ILE A 11 -5.886 -10.316 -17.088 1.00 21.41 H new ATOM 0 HG22 ILE A 11 -6.412 -9.596 -18.628 1.00 21.41 H new ATOM 0 HG23 ILE A 11 -5.370 -8.669 -17.523 1.00 21.41 H new ATOM 0 HD11 ILE A 11 -6.754 -9.603 -13.573 1.00 71.10 H new ATOM 0 HD12 ILE A 11 -7.841 -10.468 -14.686 1.00 71.10 H new ATOM 0 HD13 ILE A 11 -6.094 -10.403 -15.019 1.00 71.10 H new ATOM 191 N LEU A 12 -9.347 -7.946 -19.442 1.00 41.13 N ATOM 192 CA LEU A 12 -9.702 -8.206 -20.833 1.00 45.43 C ATOM 193 C LEU A 12 -10.433 -7.013 -21.441 1.00 1.23 C ATOM 194 O LEU A 12 -10.563 -6.906 -22.659 1.00 61.24 O ATOM 195 CB LEU A 12 -10.574 -9.458 -20.932 1.00 54.15 C ATOM 196 CG LEU A 12 -9.830 -10.784 -21.090 1.00 61.21 C ATOM 197 CD1 LEU A 12 -10.810 -11.947 -21.115 1.00 0.24 C ATOM 198 CD2 LEU A 12 -8.982 -10.773 -22.353 1.00 44.34 C ATOM 0 H LEU A 12 -10.142 -7.904 -18.805 1.00 41.13 H new ATOM 0 HA LEU A 12 -8.781 -8.368 -21.393 1.00 45.43 H new ATOM 0 HB2 LEU A 12 -11.193 -9.517 -20.037 1.00 54.15 H new ATOM 0 HB3 LEU A 12 -11.249 -9.340 -21.780 1.00 54.15 H new ATOM 0 HG LEU A 12 -9.169 -10.911 -20.233 1.00 61.21 H new ATOM 0 HD11 LEU A 12 -10.262 -12.882 -21.228 1.00 0.24 H new ATOM 0 HD12 LEU A 12 -11.374 -11.967 -20.183 1.00 0.24 H new ATOM 0 HD13 LEU A 12 -11.497 -11.826 -21.952 1.00 0.24 H new ATOM 0 HD21 LEU A 12 -8.460 -11.725 -22.449 1.00 44.34 H new ATOM 0 HD22 LEU A 12 -9.624 -10.622 -23.221 1.00 44.34 H new ATOM 0 HD23 LEU A 12 -8.254 -9.964 -22.295 1.00 44.34 H new ATOM 210 N GLY A 13 -10.907 -6.116 -20.581 1.00 53.35 N ATOM 211 CA GLY A 13 -11.618 -4.941 -21.052 1.00 63.02 C ATOM 212 C GLY A 13 -13.049 -5.248 -21.445 1.00 13.12 C ATOM 213 O GLY A 13 -13.555 -4.724 -22.437 1.00 45.45 O ATOM 0 H GLY A 13 -10.811 -6.182 -19.568 1.00 53.35 H new ATOM 0 HA2 GLY A 13 -11.614 -4.181 -20.271 1.00 63.02 H new ATOM 0 HA3 GLY A 13 -11.091 -4.521 -21.909 1.00 63.02 H new ATOM 217 N VAL A 14 -13.705 -6.101 -20.665 1.00 32.41 N ATOM 218 CA VAL A 14 -15.087 -6.478 -20.937 1.00 33.14 C ATOM 219 C VAL A 14 -15.980 -6.200 -19.732 1.00 64.02 C ATOM 220 O VAL A 14 -15.535 -6.204 -18.584 1.00 65.43 O ATOM 221 CB VAL A 14 -15.200 -7.968 -21.312 1.00 4.22 C ATOM 222 CG1 VAL A 14 -14.293 -8.292 -22.490 1.00 12.34 C ATOM 223 CG2 VAL A 14 -14.866 -8.845 -20.115 1.00 1.14 C ATOM 0 H VAL A 14 -13.302 -6.544 -19.840 1.00 32.41 H new ATOM 0 HA VAL A 14 -15.419 -5.873 -21.780 1.00 33.14 H new ATOM 0 HB VAL A 14 -16.229 -8.174 -21.608 1.00 4.22 H new ATOM 0 HG11 VAL A 14 -14.386 -9.349 -22.741 1.00 12.34 H new ATOM 0 HG12 VAL A 14 -14.583 -7.688 -23.350 1.00 12.34 H new ATOM 0 HG13 VAL A 14 -13.259 -8.072 -22.224 1.00 12.34 H new ATOM 0 HG21 VAL A 14 -14.951 -9.894 -20.398 1.00 1.14 H new ATOM 0 HG22 VAL A 14 -13.847 -8.639 -19.786 1.00 1.14 H new ATOM 0 HG23 VAL A 14 -15.560 -8.631 -19.302 1.00 1.14 H new ATOM 233 N PRO A 15 -17.271 -5.952 -19.997 1.00 61.32 N ATOM 234 CA PRO A 15 -18.254 -5.668 -18.948 1.00 31.44 C ATOM 235 C PRO A 15 -18.563 -6.895 -18.095 1.00 42.45 C ATOM 236 O PRO A 15 -18.094 -7.996 -18.383 1.00 2.00 O ATOM 237 CB PRO A 15 -19.495 -5.236 -19.732 1.00 34.00 C ATOM 238 CG PRO A 15 -19.348 -5.887 -21.064 1.00 21.22 C ATOM 239 CD PRO A 15 -17.871 -5.931 -21.342 1.00 3.11 C ATOM 0 HA PRO A 15 -17.894 -4.917 -18.245 1.00 31.44 H new ATOM 0 HB2 PRO A 15 -20.410 -5.557 -19.233 1.00 34.00 H new ATOM 0 HB3 PRO A 15 -19.547 -4.151 -19.825 1.00 34.00 H new ATOM 0 HG2 PRO A 15 -19.774 -6.890 -21.057 1.00 21.22 H new ATOM 0 HG3 PRO A 15 -19.874 -5.323 -21.834 1.00 21.22 H new ATOM 0 HD2 PRO A 15 -17.597 -6.815 -21.918 1.00 3.11 H new ATOM 0 HD3 PRO A 15 -17.544 -5.063 -21.914 1.00 3.11 H new ATOM 247 N ARG A 16 -19.355 -6.697 -17.047 1.00 4.54 N ATOM 248 CA ARG A 16 -19.725 -7.787 -16.152 1.00 51.33 C ATOM 249 C ARG A 16 -20.830 -8.642 -16.766 1.00 65.02 C ATOM 250 O ARG A 16 -21.184 -9.692 -16.233 1.00 23.34 O ATOM 251 CB ARG A 16 -20.185 -7.233 -14.802 1.00 62.42 C ATOM 252 CG ARG A 16 -19.105 -6.464 -14.060 1.00 4.13 C ATOM 253 CD ARG A 16 -19.703 -5.411 -13.140 1.00 30.12 C ATOM 254 NE ARG A 16 -18.720 -4.887 -12.196 1.00 1.52 N ATOM 255 CZ ARG A 16 -19.043 -4.217 -11.095 1.00 23.23 C ATOM 256 NH1 ARG A 16 -20.316 -3.993 -10.801 1.00 1.43 N ATOM 257 NH2 ARG A 16 -18.091 -3.771 -10.285 1.00 22.42 N ATOM 0 H ARG A 16 -19.753 -5.792 -16.796 1.00 4.54 H new ATOM 0 HA ARG A 16 -18.846 -8.413 -15.999 1.00 51.33 H new ATOM 0 HB2 ARG A 16 -21.042 -6.578 -14.960 1.00 62.42 H new ATOM 0 HB3 ARG A 16 -20.526 -8.058 -14.177 1.00 62.42 H new ATOM 0 HG2 ARG A 16 -18.499 -7.157 -13.476 1.00 4.13 H new ATOM 0 HG3 ARG A 16 -18.439 -5.985 -14.778 1.00 4.13 H new ATOM 0 HD2 ARG A 16 -20.103 -4.592 -13.738 1.00 30.12 H new ATOM 0 HD3 ARG A 16 -20.539 -5.843 -12.590 1.00 30.12 H new ATOM 0 HE ARG A 16 -17.731 -5.044 -12.392 1.00 1.52 H new ATOM 0 HH11 ARG A 16 -21.050 -4.335 -11.421 1.00 1.43 H new ATOM 0 HH12 ARG A 16 -20.561 -3.478 -9.955 1.00 1.43 H new ATOM 0 HH21 ARG A 16 -17.110 -3.942 -10.507 1.00 22.42 H new ATOM 0 HH22 ARG A 16 -18.340 -3.257 -9.440 1.00 22.42 H new ATOM 271 N ASN A 17 -21.370 -8.184 -17.891 1.00 3.22 N ATOM 272 CA ASN A 17 -22.435 -8.906 -18.577 1.00 22.31 C ATOM 273 C ASN A 17 -21.969 -9.390 -19.947 1.00 10.11 C ATOM 274 O ASN A 17 -22.755 -9.927 -20.727 1.00 2.11 O ATOM 275 CB ASN A 17 -23.668 -8.014 -18.731 1.00 1.31 C ATOM 276 CG ASN A 17 -23.334 -6.668 -19.346 1.00 14.05 C ATOM 277 OD1 ASN A 17 -22.331 -6.524 -20.045 1.00 14.24 O ATOM 278 ND2 ASN A 17 -24.177 -5.674 -19.086 1.00 65.45 N ATOM 0 H ASN A 17 -21.087 -7.316 -18.347 1.00 3.22 H new ATOM 0 HA ASN A 17 -22.697 -9.775 -17.974 1.00 22.31 H new ATOM 0 HB2 ASN A 17 -24.405 -8.522 -19.353 1.00 1.31 H new ATOM 0 HB3 ASN A 17 -24.127 -7.860 -17.754 1.00 1.31 H new ATOM 0 HD21 ASN A 17 -24.005 -4.745 -19.471 1.00 65.45 H new ATOM 0 HD22 ASN A 17 -24.996 -5.840 -18.501 1.00 65.45 H new ATOM 285 N ALA A 18 -20.686 -9.196 -20.232 1.00 5.01 N ATOM 286 CA ALA A 18 -20.114 -9.615 -21.506 1.00 12.51 C ATOM 287 C ALA A 18 -20.404 -11.086 -21.780 1.00 61.24 C ATOM 288 O ALA A 18 -20.700 -11.852 -20.863 1.00 62.12 O ATOM 289 CB ALA A 18 -18.615 -9.358 -21.521 1.00 65.04 C ATOM 0 H ALA A 18 -20.022 -8.751 -19.598 1.00 5.01 H new ATOM 0 HA ALA A 18 -20.580 -9.027 -22.297 1.00 12.51 H new ATOM 0 HB1 ALA A 18 -18.201 -9.676 -22.478 1.00 65.04 H new ATOM 0 HB2 ALA A 18 -18.427 -8.294 -21.379 1.00 65.04 H new ATOM 0 HB3 ALA A 18 -18.141 -9.920 -20.716 1.00 65.04 H new ATOM 295 N SER A 19 -20.318 -11.475 -23.049 1.00 24.15 N ATOM 296 CA SER A 19 -20.575 -12.855 -23.444 1.00 52.32 C ATOM 297 C SER A 19 -19.277 -13.563 -23.820 1.00 74.40 C ATOM 298 O SER A 19 -18.288 -12.922 -24.171 1.00 64.13 O ATOM 299 CB SER A 19 -21.551 -12.896 -24.621 1.00 75.14 C ATOM 300 OG SER A 19 -22.678 -12.071 -24.379 1.00 30.51 O ATOM 0 H SER A 19 -20.073 -10.854 -23.820 1.00 24.15 H new ATOM 0 HA SER A 19 -21.018 -13.374 -22.594 1.00 52.32 H new ATOM 0 HB2 SER A 19 -21.045 -12.568 -25.529 1.00 75.14 H new ATOM 0 HB3 SER A 19 -21.877 -13.922 -24.791 1.00 75.14 H new ATOM 0 HG SER A 19 -23.459 -12.439 -24.843 1.00 30.51 H new ATOM 306 N GLN A 20 -19.291 -14.890 -23.743 1.00 33.22 N ATOM 307 CA GLN A 20 -18.116 -15.687 -24.074 1.00 4.51 C ATOM 308 C GLN A 20 -17.612 -15.357 -25.475 1.00 71.13 C ATOM 309 O GLN A 20 -16.426 -15.506 -25.772 1.00 13.44 O ATOM 310 CB GLN A 20 -18.439 -17.178 -23.973 1.00 21.22 C ATOM 311 CG GLN A 20 -19.144 -17.562 -22.682 1.00 55.31 C ATOM 312 CD GLN A 20 -18.408 -17.078 -21.448 1.00 63.45 C ATOM 313 OE1 GLN A 20 -17.287 -17.719 -21.139 1.00 72.25 O flip ATOM 314 NE2 GLN A 20 -18.841 -16.139 -20.780 1.00 23.50 N flip ATOM 0 H GLN A 20 -20.103 -15.436 -23.454 1.00 33.22 H new ATOM 0 HA GLN A 20 -17.330 -15.444 -23.358 1.00 4.51 H new ATOM 0 HB2 GLN A 20 -19.065 -17.464 -24.818 1.00 21.22 H new ATOM 0 HB3 GLN A 20 -17.514 -17.748 -24.055 1.00 21.22 H new ATOM 0 HG2 GLN A 20 -20.152 -17.146 -22.686 1.00 55.31 H new ATOM 0 HG3 GLN A 20 -19.246 -18.646 -22.637 1.00 55.31 H new ATOM 0 HE21 GLN A 20 -19.707 -15.675 -21.054 1.00 23.50 H new ATOM 0 HE22 GLN A 20 -18.334 -15.825 -19.953 1.00 23.50 H new ATOM 323 N LYS A 21 -18.521 -14.909 -26.335 1.00 62.51 N ATOM 324 CA LYS A 21 -18.170 -14.558 -27.706 1.00 10.31 C ATOM 325 C LYS A 21 -17.494 -13.191 -27.761 1.00 73.31 C ATOM 326 O LYS A 21 -16.526 -12.998 -28.495 1.00 50.53 O ATOM 327 CB LYS A 21 -19.419 -14.557 -28.590 1.00 14.44 C ATOM 328 CG LYS A 21 -20.493 -13.589 -28.123 1.00 74.13 C ATOM 329 CD LYS A 21 -21.750 -13.701 -28.970 1.00 13.21 C ATOM 330 CE LYS A 21 -22.577 -12.425 -28.912 1.00 24.22 C ATOM 331 NZ LYS A 21 -23.474 -12.399 -27.724 1.00 22.15 N ATOM 0 H LYS A 21 -19.507 -14.780 -26.106 1.00 62.51 H new ATOM 0 HA LYS A 21 -17.470 -15.306 -28.078 1.00 10.31 H new ATOM 0 HB2 LYS A 21 -19.132 -14.303 -29.610 1.00 14.44 H new ATOM 0 HB3 LYS A 21 -19.836 -15.564 -28.617 1.00 14.44 H new ATOM 0 HG2 LYS A 21 -20.737 -13.790 -27.080 1.00 74.13 H new ATOM 0 HG3 LYS A 21 -20.111 -12.569 -28.170 1.00 74.13 H new ATOM 0 HD2 LYS A 21 -21.476 -13.911 -30.004 1.00 13.21 H new ATOM 0 HD3 LYS A 21 -22.351 -14.541 -28.622 1.00 13.21 H new ATOM 0 HE2 LYS A 21 -21.912 -11.562 -28.884 1.00 24.22 H new ATOM 0 HE3 LYS A 21 -23.174 -12.338 -29.820 1.00 24.22 H new ATOM 0 HZ1 LYS A 21 -24.160 -11.623 -27.824 1.00 22.15 H new ATOM 0 HZ2 LYS A 21 -23.982 -13.304 -27.653 1.00 22.15 H new ATOM 0 HZ3 LYS A 21 -22.907 -12.252 -26.864 1.00 22.15 H new ATOM 345 N GLU A 22 -18.011 -12.249 -26.979 1.00 2.40 N ATOM 346 CA GLU A 22 -17.456 -10.901 -26.940 1.00 5.24 C ATOM 347 C GLU A 22 -16.091 -10.894 -26.256 1.00 71.33 C ATOM 348 O GLU A 22 -15.192 -10.150 -26.649 1.00 13.31 O ATOM 349 CB GLU A 22 -18.409 -9.954 -26.208 1.00 40.41 C ATOM 350 CG GLU A 22 -17.899 -8.525 -26.120 1.00 22.24 C ATOM 351 CD GLU A 22 -18.967 -7.551 -25.663 1.00 35.24 C ATOM 352 OE1 GLU A 22 -19.070 -7.315 -24.441 1.00 13.24 O ATOM 353 OE2 GLU A 22 -19.701 -7.026 -26.526 1.00 63.01 O ATOM 0 H GLU A 22 -18.812 -12.394 -26.365 1.00 2.40 H new ATOM 0 HA GLU A 22 -17.331 -10.558 -27.967 1.00 5.24 H new ATOM 0 HB2 GLU A 22 -19.372 -9.956 -26.718 1.00 40.41 H new ATOM 0 HB3 GLU A 22 -18.581 -10.332 -25.200 1.00 40.41 H new ATOM 0 HG2 GLU A 22 -17.057 -8.486 -25.429 1.00 22.24 H new ATOM 0 HG3 GLU A 22 -17.525 -8.216 -27.096 1.00 22.24 H new ATOM 360 N ILE A 23 -15.945 -11.728 -25.232 1.00 61.01 N ATOM 361 CA ILE A 23 -14.691 -11.819 -24.495 1.00 0.14 C ATOM 362 C ILE A 23 -13.563 -12.324 -25.388 1.00 51.21 C ATOM 363 O ILE A 23 -12.405 -11.938 -25.224 1.00 34.25 O ATOM 364 CB ILE A 23 -14.821 -12.751 -23.275 1.00 52.24 C ATOM 365 CG1 ILE A 23 -15.857 -12.199 -22.293 1.00 24.51 C ATOM 366 CG2 ILE A 23 -13.473 -12.921 -22.592 1.00 45.41 C ATOM 367 CD1 ILE A 23 -16.301 -13.206 -21.255 1.00 71.44 C ATOM 0 H ILE A 23 -16.679 -12.350 -24.894 1.00 61.01 H new ATOM 0 HA ILE A 23 -14.455 -10.812 -24.150 1.00 0.14 H new ATOM 0 HB ILE A 23 -15.158 -13.729 -23.618 1.00 52.24 H new ATOM 0 HG12 ILE A 23 -15.439 -11.328 -21.788 1.00 24.51 H new ATOM 0 HG13 ILE A 23 -16.728 -11.856 -22.851 1.00 24.51 H new ATOM 0 HG21 ILE A 23 -13.582 -13.582 -21.732 1.00 45.41 H new ATOM 0 HG22 ILE A 23 -12.761 -13.354 -23.295 1.00 45.41 H new ATOM 0 HG23 ILE A 23 -13.109 -11.949 -22.259 1.00 45.41 H new ATOM 0 HD11 ILE A 23 -17.035 -12.747 -20.593 1.00 71.44 H new ATOM 0 HD12 ILE A 23 -16.749 -14.067 -21.751 1.00 71.44 H new ATOM 0 HD13 ILE A 23 -15.440 -13.531 -20.672 1.00 71.44 H new ATOM 379 N LYS A 24 -13.909 -13.188 -26.336 1.00 43.14 N ATOM 380 CA LYS A 24 -12.927 -13.744 -27.260 1.00 20.43 C ATOM 381 C LYS A 24 -12.305 -12.648 -28.119 1.00 32.02 C ATOM 382 O LYS A 24 -11.103 -12.659 -28.383 1.00 42.13 O ATOM 383 CB LYS A 24 -13.580 -14.800 -28.155 1.00 64.11 C ATOM 384 CG LYS A 24 -13.515 -16.206 -27.584 1.00 31.10 C ATOM 385 CD LYS A 24 -14.076 -17.229 -28.557 1.00 72.40 C ATOM 386 CE LYS A 24 -15.560 -17.006 -28.807 1.00 43.00 C ATOM 387 NZ LYS A 24 -16.146 -18.076 -29.661 1.00 45.24 N ATOM 0 H LYS A 24 -14.862 -13.519 -26.485 1.00 43.14 H new ATOM 0 HA LYS A 24 -12.137 -14.212 -26.673 1.00 20.43 H new ATOM 0 HB2 LYS A 24 -14.624 -14.531 -28.318 1.00 64.11 H new ATOM 0 HB3 LYS A 24 -13.092 -14.790 -29.130 1.00 64.11 H new ATOM 0 HG2 LYS A 24 -12.481 -16.456 -27.348 1.00 31.10 H new ATOM 0 HG3 LYS A 24 -14.074 -16.246 -26.649 1.00 31.10 H new ATOM 0 HD2 LYS A 24 -13.534 -17.170 -29.501 1.00 72.40 H new ATOM 0 HD3 LYS A 24 -13.919 -18.233 -28.162 1.00 72.40 H new ATOM 0 HE2 LYS A 24 -16.088 -16.972 -27.854 1.00 43.00 H new ATOM 0 HE3 LYS A 24 -15.706 -16.038 -29.286 1.00 43.00 H new ATOM 0 HZ1 LYS A 24 -17.158 -17.888 -29.808 1.00 45.24 H new ATOM 0 HZ2 LYS A 24 -15.660 -18.092 -30.580 1.00 45.24 H new ATOM 0 HZ3 LYS A 24 -16.030 -18.997 -29.192 1.00 45.24 H new ATOM 401 N LYS A 25 -13.131 -11.701 -28.551 1.00 33.41 N ATOM 402 CA LYS A 25 -12.663 -10.596 -29.378 1.00 1.52 C ATOM 403 C LYS A 25 -11.784 -9.646 -28.570 1.00 23.42 C ATOM 404 O LYS A 25 -10.706 -9.254 -29.015 1.00 4.12 O ATOM 405 CB LYS A 25 -13.852 -9.831 -29.965 1.00 21.34 C ATOM 406 CG LYS A 25 -14.625 -10.618 -31.009 1.00 42.21 C ATOM 407 CD LYS A 25 -16.071 -10.160 -31.094 1.00 73.12 C ATOM 408 CE LYS A 25 -16.824 -10.892 -32.195 1.00 45.12 C ATOM 409 NZ LYS A 25 -18.237 -10.435 -32.300 1.00 1.34 N ATOM 0 H LYS A 25 -14.129 -11.677 -28.342 1.00 33.41 H new ATOM 0 HA LYS A 25 -12.068 -11.011 -30.192 1.00 1.52 H new ATOM 0 HB2 LYS A 25 -14.529 -9.552 -29.157 1.00 21.34 H new ATOM 0 HB3 LYS A 25 -13.492 -8.905 -30.413 1.00 21.34 H new ATOM 0 HG2 LYS A 25 -14.147 -10.501 -31.982 1.00 42.21 H new ATOM 0 HG3 LYS A 25 -14.592 -11.680 -30.764 1.00 42.21 H new ATOM 0 HD2 LYS A 25 -16.565 -10.332 -30.138 1.00 73.12 H new ATOM 0 HD3 LYS A 25 -16.103 -9.087 -31.281 1.00 73.12 H new ATOM 0 HE2 LYS A 25 -16.319 -10.733 -33.148 1.00 45.12 H new ATOM 0 HE3 LYS A 25 -16.803 -11.964 -31.998 1.00 45.12 H new ATOM 0 HZ1 LYS A 25 -18.715 -10.958 -33.061 1.00 1.34 H new ATOM 0 HZ2 LYS A 25 -18.726 -10.610 -31.399 1.00 1.34 H new ATOM 0 HZ3 LYS A 25 -18.258 -9.417 -32.513 1.00 1.34 H new ATOM 423 N ALA A 26 -12.251 -9.283 -27.380 1.00 40.41 N ATOM 424 CA ALA A 26 -11.505 -8.383 -26.509 1.00 53.31 C ATOM 425 C ALA A 26 -10.147 -8.972 -26.143 1.00 74.45 C ATOM 426 O ALA A 26 -9.179 -8.242 -25.932 1.00 51.12 O ATOM 427 CB ALA A 26 -12.307 -8.080 -25.252 1.00 32.11 C ATOM 0 H ALA A 26 -13.142 -9.598 -26.997 1.00 40.41 H new ATOM 0 HA ALA A 26 -11.334 -7.453 -27.051 1.00 53.31 H new ATOM 0 HB1 ALA A 26 -11.738 -7.407 -24.611 1.00 32.11 H new ATOM 0 HB2 ALA A 26 -13.250 -7.608 -25.527 1.00 32.11 H new ATOM 0 HB3 ALA A 26 -12.508 -9.008 -24.716 1.00 32.11 H new ATOM 433 N TYR A 27 -10.084 -10.297 -26.070 1.00 24.11 N ATOM 434 CA TYR A 27 -8.845 -10.985 -25.727 1.00 4.25 C ATOM 435 C TYR A 27 -7.849 -10.923 -26.881 1.00 74.42 C ATOM 436 O TYR A 27 -6.640 -10.836 -26.669 1.00 43.13 O ATOM 437 CB TYR A 27 -9.130 -12.442 -25.361 1.00 60.55 C ATOM 438 CG TYR A 27 -7.883 -13.282 -25.201 1.00 4.24 C ATOM 439 CD1 TYR A 27 -6.883 -12.912 -24.310 1.00 2.55 C ATOM 440 CD2 TYR A 27 -7.703 -14.444 -25.940 1.00 73.21 C ATOM 441 CE1 TYR A 27 -5.741 -13.675 -24.160 1.00 11.24 C ATOM 442 CE2 TYR A 27 -6.566 -15.214 -25.796 1.00 24.33 C ATOM 443 CZ TYR A 27 -5.587 -14.825 -24.904 1.00 74.45 C ATOM 444 OH TYR A 27 -4.452 -15.589 -24.759 1.00 21.13 O ATOM 0 H TYR A 27 -10.876 -10.916 -26.244 1.00 24.11 H new ATOM 0 HA TYR A 27 -8.406 -10.481 -24.866 1.00 4.25 H new ATOM 0 HB2 TYR A 27 -9.698 -12.470 -24.431 1.00 60.55 H new ATOM 0 HB3 TYR A 27 -9.760 -12.885 -26.133 1.00 60.55 H new ATOM 0 HD1 TYR A 27 -7.001 -12.012 -23.724 1.00 2.55 H new ATOM 0 HD2 TYR A 27 -8.466 -14.751 -26.640 1.00 73.21 H new ATOM 0 HE1 TYR A 27 -4.973 -13.372 -23.464 1.00 11.24 H new ATOM 0 HE2 TYR A 27 -6.443 -16.115 -26.378 1.00 24.33 H new ATOM 0 HH TYR A 27 -4.502 -16.365 -25.355 1.00 21.13 H new ATOM 454 N TYR A 28 -8.368 -10.969 -28.103 1.00 61.33 N ATOM 455 CA TYR A 28 -7.526 -10.921 -29.293 1.00 14.20 C ATOM 456 C TYR A 28 -7.005 -9.508 -29.534 1.00 41.52 C ATOM 457 O TYR A 28 -5.814 -9.306 -29.772 1.00 34.40 O ATOM 458 CB TYR A 28 -8.308 -11.404 -30.516 1.00 42.20 C ATOM 459 CG TYR A 28 -7.528 -11.312 -31.808 1.00 3.10 C ATOM 460 CD1 TYR A 28 -7.996 -10.553 -32.873 1.00 52.31 C ATOM 461 CD2 TYR A 28 -6.321 -11.984 -31.963 1.00 53.31 C ATOM 462 CE1 TYR A 28 -7.287 -10.467 -34.055 1.00 51.34 C ATOM 463 CE2 TYR A 28 -5.605 -11.902 -33.141 1.00 64.23 C ATOM 464 CZ TYR A 28 -6.092 -11.143 -34.185 1.00 1.13 C ATOM 465 OH TYR A 28 -5.382 -11.059 -35.360 1.00 42.43 O ATOM 0 H TYR A 28 -9.367 -11.039 -28.296 1.00 61.33 H new ATOM 0 HA TYR A 28 -6.673 -11.581 -29.131 1.00 14.20 H new ATOM 0 HB2 TYR A 28 -8.611 -12.439 -30.357 1.00 42.20 H new ATOM 0 HB3 TYR A 28 -9.220 -10.815 -30.609 1.00 42.20 H new ATOM 0 HD1 TYR A 28 -8.931 -10.021 -32.775 1.00 52.31 H new ATOM 0 HD2 TYR A 28 -5.937 -12.580 -31.149 1.00 53.31 H new ATOM 0 HE1 TYR A 28 -7.666 -9.873 -34.873 1.00 51.34 H new ATOM 0 HE2 TYR A 28 -4.668 -12.430 -33.244 1.00 64.23 H new ATOM 0 HH TYR A 28 -4.563 -11.593 -35.286 1.00 42.43 H new ATOM 475 N GLN A 29 -7.906 -8.533 -29.470 1.00 40.53 N ATOM 476 CA GLN A 29 -7.538 -7.138 -29.682 1.00 4.43 C ATOM 477 C GLN A 29 -6.498 -6.688 -28.661 1.00 23.44 C ATOM 478 O GLN A 29 -5.621 -5.879 -28.967 1.00 24.54 O ATOM 479 CB GLN A 29 -8.775 -6.243 -29.595 1.00 10.44 C ATOM 480 CG GLN A 29 -9.262 -6.014 -28.173 1.00 21.33 C ATOM 481 CD GLN A 29 -10.439 -5.061 -28.105 1.00 4.12 C ATOM 482 OE1 GLN A 29 -11.091 -4.789 -29.113 1.00 33.20 O ATOM 483 NE2 GLN A 29 -10.716 -4.547 -26.912 1.00 74.03 N ATOM 0 H GLN A 29 -8.895 -8.683 -29.273 1.00 40.53 H new ATOM 0 HA GLN A 29 -7.104 -7.051 -30.678 1.00 4.43 H new ATOM 0 HB2 GLN A 29 -8.549 -5.280 -30.052 1.00 10.44 H new ATOM 0 HB3 GLN A 29 -9.579 -6.692 -30.178 1.00 10.44 H new ATOM 0 HG2 GLN A 29 -9.547 -6.969 -27.733 1.00 21.33 H new ATOM 0 HG3 GLN A 29 -8.443 -5.618 -27.572 1.00 21.33 H new ATOM 0 HE21 GLN A 29 -10.149 -4.801 -26.103 1.00 74.03 H new ATOM 0 HE22 GLN A 29 -11.496 -3.899 -26.805 1.00 74.03 H new ATOM 492 N LEU A 30 -6.601 -7.217 -27.446 1.00 73.44 N ATOM 493 CA LEU A 30 -5.669 -6.871 -26.379 1.00 15.32 C ATOM 494 C LEU A 30 -4.303 -7.504 -26.622 1.00 11.42 C ATOM 495 O LEU A 30 -3.269 -6.870 -26.413 1.00 22.43 O ATOM 496 CB LEU A 30 -6.221 -7.325 -25.026 1.00 52.52 C ATOM 497 CG LEU A 30 -6.650 -6.212 -24.069 1.00 24.14 C ATOM 498 CD1 LEU A 30 -7.589 -5.240 -24.765 1.00 74.45 C ATOM 499 CD2 LEU A 30 -7.310 -6.800 -22.830 1.00 3.42 C ATOM 0 H LEU A 30 -7.321 -7.887 -27.176 1.00 73.44 H new ATOM 0 HA LEU A 30 -5.550 -5.788 -26.371 1.00 15.32 H new ATOM 0 HB2 LEU A 30 -7.079 -7.974 -25.205 1.00 52.52 H new ATOM 0 HB3 LEU A 30 -5.462 -7.930 -24.531 1.00 52.52 H new ATOM 0 HG LEU A 30 -5.761 -5.664 -23.758 1.00 24.14 H new ATOM 0 HD11 LEU A 30 -7.883 -4.456 -24.068 1.00 74.45 H new ATOM 0 HD12 LEU A 30 -7.082 -4.794 -25.620 1.00 74.45 H new ATOM 0 HD13 LEU A 30 -8.476 -5.773 -25.107 1.00 74.45 H new ATOM 0 HD21 LEU A 30 -7.609 -5.994 -22.160 1.00 3.42 H new ATOM 0 HD22 LEU A 30 -8.190 -7.373 -23.124 1.00 3.42 H new ATOM 0 HD23 LEU A 30 -6.605 -7.455 -22.318 1.00 3.42 H new ATOM 511 N ALA A 31 -4.307 -8.756 -27.066 1.00 54.04 N ATOM 512 CA ALA A 31 -3.069 -9.473 -27.342 1.00 43.01 C ATOM 513 C ALA A 31 -2.219 -8.727 -28.366 1.00 20.44 C ATOM 514 O ALA A 31 -0.995 -8.668 -28.247 1.00 21.11 O ATOM 515 CB ALA A 31 -3.372 -10.882 -27.831 1.00 2.33 C ATOM 0 H ALA A 31 -5.155 -9.295 -27.242 1.00 54.04 H new ATOM 0 HA ALA A 31 -2.501 -9.537 -26.414 1.00 43.01 H new ATOM 0 HB1 ALA A 31 -2.438 -11.406 -28.033 1.00 2.33 H new ATOM 0 HB2 ALA A 31 -3.931 -11.420 -27.066 1.00 2.33 H new ATOM 0 HB3 ALA A 31 -3.964 -10.831 -28.745 1.00 2.33 H new ATOM 521 N LYS A 32 -2.875 -8.160 -29.372 1.00 14.23 N ATOM 522 CA LYS A 32 -2.181 -7.417 -30.417 1.00 31.03 C ATOM 523 C LYS A 32 -1.458 -6.207 -29.835 1.00 5.21 C ATOM 524 O LYS A 32 -0.523 -5.680 -30.439 1.00 2.24 O ATOM 525 CB LYS A 32 -3.171 -6.964 -31.493 1.00 22.24 C ATOM 526 CG LYS A 32 -3.653 -8.092 -32.388 1.00 54.14 C ATOM 527 CD LYS A 32 -5.099 -7.889 -32.811 1.00 43.30 C ATOM 528 CE LYS A 32 -5.234 -6.741 -33.800 1.00 12.11 C ATOM 529 NZ LYS A 32 -5.041 -7.194 -35.205 1.00 50.13 N ATOM 0 H LYS A 32 -3.888 -8.201 -29.486 1.00 14.23 H new ATOM 0 HA LYS A 32 -1.441 -8.078 -30.868 1.00 31.03 H new ATOM 0 HB2 LYS A 32 -4.032 -6.500 -31.011 1.00 22.24 H new ATOM 0 HB3 LYS A 32 -2.700 -6.198 -32.109 1.00 22.24 H new ATOM 0 HG2 LYS A 32 -3.019 -8.152 -33.273 1.00 54.14 H new ATOM 0 HG3 LYS A 32 -3.557 -9.042 -31.862 1.00 54.14 H new ATOM 0 HD2 LYS A 32 -5.480 -8.806 -33.262 1.00 43.30 H new ATOM 0 HD3 LYS A 32 -5.712 -7.688 -31.932 1.00 43.30 H new ATOM 0 HE2 LYS A 32 -6.220 -6.287 -33.697 1.00 12.11 H new ATOM 0 HE3 LYS A 32 -4.501 -5.970 -33.563 1.00 12.11 H new ATOM 0 HZ1 LYS A 32 -5.141 -6.383 -35.848 1.00 50.13 H new ATOM 0 HZ2 LYS A 32 -4.091 -7.604 -35.310 1.00 50.13 H new ATOM 0 HZ3 LYS A 32 -5.756 -7.912 -35.440 1.00 50.13 H new ATOM 543 N LYS A 33 -1.894 -5.771 -28.658 1.00 75.31 N ATOM 544 CA LYS A 33 -1.287 -4.625 -27.992 1.00 53.04 C ATOM 545 C LYS A 33 -0.001 -5.029 -27.279 1.00 42.41 C ATOM 546 O LYS A 33 0.978 -4.282 -27.274 1.00 10.32 O ATOM 547 CB LYS A 33 -2.268 -4.013 -26.990 1.00 52.30 C ATOM 548 CG LYS A 33 -3.674 -3.846 -27.539 1.00 54.35 C ATOM 549 CD LYS A 33 -4.448 -2.782 -26.778 1.00 62.13 C ATOM 550 CE LYS A 33 -4.302 -1.415 -27.428 1.00 52.33 C ATOM 551 NZ LYS A 33 -4.942 -1.368 -28.772 1.00 71.42 N ATOM 0 H LYS A 33 -2.667 -6.195 -28.145 1.00 75.31 H new ATOM 0 HA LYS A 33 -1.043 -3.882 -28.751 1.00 53.04 H new ATOM 0 HB2 LYS A 33 -2.307 -4.643 -26.101 1.00 52.30 H new ATOM 0 HB3 LYS A 33 -1.892 -3.040 -26.675 1.00 52.30 H new ATOM 0 HG2 LYS A 33 -3.624 -3.576 -28.594 1.00 54.35 H new ATOM 0 HG3 LYS A 33 -4.204 -4.796 -27.478 1.00 54.35 H new ATOM 0 HD2 LYS A 33 -5.502 -3.056 -26.738 1.00 62.13 H new ATOM 0 HD3 LYS A 33 -4.091 -2.737 -25.749 1.00 62.13 H new ATOM 0 HE2 LYS A 33 -4.751 -0.658 -26.785 1.00 52.33 H new ATOM 0 HE3 LYS A 33 -3.244 -1.168 -27.521 1.00 52.33 H new ATOM 0 HZ1 LYS A 33 -5.217 -0.389 -28.991 1.00 71.42 H new ATOM 0 HZ2 LYS A 33 -4.269 -1.707 -29.489 1.00 71.42 H new ATOM 0 HZ3 LYS A 33 -5.787 -1.974 -28.776 1.00 71.42 H new ATOM 565 N TYR A 34 -0.009 -6.214 -26.680 1.00 12.13 N ATOM 566 CA TYR A 34 1.157 -6.716 -25.963 1.00 31.12 C ATOM 567 C TYR A 34 1.917 -7.736 -26.805 1.00 73.40 C ATOM 568 O TYR A 34 2.657 -8.567 -26.277 1.00 43.32 O ATOM 569 CB TYR A 34 0.733 -7.348 -24.636 1.00 32.01 C ATOM 570 CG TYR A 34 -0.023 -6.403 -23.730 1.00 33.15 C ATOM 571 CD1 TYR A 34 0.645 -5.617 -22.799 1.00 62.21 C ATOM 572 CD2 TYR A 34 -1.407 -6.296 -23.804 1.00 43.35 C ATOM 573 CE1 TYR A 34 -0.042 -4.753 -21.969 1.00 21.34 C ATOM 574 CE2 TYR A 34 -2.102 -5.433 -22.979 1.00 21.21 C ATOM 575 CZ TYR A 34 -1.415 -4.665 -22.062 1.00 51.44 C ATOM 576 OH TYR A 34 -2.103 -3.804 -21.238 1.00 30.12 O ATOM 0 H TYR A 34 -0.810 -6.845 -26.677 1.00 12.13 H new ATOM 0 HA TYR A 34 1.818 -5.873 -25.762 1.00 31.12 H new ATOM 0 HB2 TYR A 34 0.110 -8.219 -24.840 1.00 32.01 H new ATOM 0 HB3 TYR A 34 1.620 -7.707 -24.114 1.00 32.01 H new ATOM 0 HD1 TYR A 34 1.720 -5.683 -22.723 1.00 62.21 H new ATOM 0 HD2 TYR A 34 -1.948 -6.898 -24.519 1.00 43.35 H new ATOM 0 HE1 TYR A 34 0.493 -4.149 -21.251 1.00 21.34 H new ATOM 0 HE2 TYR A 34 -3.177 -5.360 -23.052 1.00 21.21 H new ATOM 0 HH TYR A 34 -3.062 -3.862 -21.432 1.00 30.12 H new ATOM 586 N HIS A 35 1.728 -7.667 -28.119 1.00 72.30 N ATOM 587 CA HIS A 35 2.396 -8.584 -29.037 1.00 13.35 C ATOM 588 C HIS A 35 3.909 -8.394 -28.988 1.00 52.24 C ATOM 589 O HIS A 35 4.416 -7.363 -28.545 1.00 33.44 O ATOM 590 CB HIS A 35 1.888 -8.370 -30.463 1.00 64.40 C ATOM 591 CG HIS A 35 0.984 -9.462 -30.946 1.00 53.35 C ATOM 592 ND1 HIS A 35 0.227 -10.352 -30.263 1.00 3.22 N flip ATOM 593 CD2 HIS A 35 0.781 -9.735 -32.283 1.00 53.22 C flip ATOM 594 CE1 HIS A 35 -0.414 -11.138 -31.190 1.00 34.53 C flip ATOM 595 NE2 HIS A 35 -0.062 -10.744 -32.401 1.00 4.44 N flip ATOM 0 H HIS A 35 1.118 -6.986 -28.572 1.00 72.30 H new ATOM 0 HA HIS A 35 2.166 -9.603 -28.727 1.00 13.35 H new ATOM 0 HB2 HIS A 35 1.355 -7.420 -30.512 1.00 64.40 H new ATOM 0 HB3 HIS A 35 2.742 -8.292 -31.136 1.00 64.40 H new ATOM 0 HD1 HIS A 35 0.147 -10.426 -29.249 1.00 3.22 H new ATOM 0 HD2 HIS A 35 1.240 -9.206 -33.105 1.00 53.22 H new ATOM 0 HE1 HIS A 35 -1.095 -11.946 -30.965 1.00 34.53 H new ATOM 603 N PRO A 36 4.649 -9.411 -29.455 1.00 15.12 N ATOM 604 CA PRO A 36 6.114 -9.380 -29.475 1.00 50.42 C ATOM 605 C PRO A 36 6.658 -8.387 -30.496 1.00 45.43 C ATOM 606 O PRO A 36 7.848 -8.071 -30.496 1.00 5.01 O ATOM 607 CB PRO A 36 6.494 -10.810 -29.865 1.00 71.23 C ATOM 608 CG PRO A 36 5.315 -11.323 -30.619 1.00 23.15 C ATOM 609 CD PRO A 36 4.111 -10.669 -29.999 1.00 23.43 C ATOM 0 HA PRO A 36 6.528 -9.060 -28.519 1.00 50.42 H new ATOM 0 HB2 PRO A 36 7.395 -10.827 -30.479 1.00 71.23 H new ATOM 0 HB3 PRO A 36 6.697 -11.420 -28.985 1.00 71.23 H new ATOM 0 HG2 PRO A 36 5.391 -11.076 -31.678 1.00 23.15 H new ATOM 0 HG3 PRO A 36 5.249 -12.409 -30.549 1.00 23.15 H new ATOM 0 HD2 PRO A 36 3.329 -10.486 -30.736 1.00 23.43 H new ATOM 0 HD3 PRO A 36 3.674 -11.290 -29.217 1.00 23.43 H new ATOM 617 N ASP A 37 5.781 -7.897 -31.365 1.00 34.21 N ATOM 618 CA ASP A 37 6.173 -6.938 -32.391 1.00 24.21 C ATOM 619 C ASP A 37 6.494 -5.581 -31.772 1.00 64.31 C ATOM 620 O ASP A 37 7.232 -4.782 -32.349 1.00 45.01 O ATOM 621 CB ASP A 37 5.062 -6.788 -33.431 1.00 62.22 C ATOM 622 CG ASP A 37 3.939 -5.888 -32.953 1.00 65.44 C ATOM 623 OD1 ASP A 37 3.474 -6.078 -31.811 1.00 15.24 O ATOM 624 OD2 ASP A 37 3.526 -4.995 -33.723 1.00 21.53 O ATOM 0 H ASP A 37 4.793 -8.149 -31.379 1.00 34.21 H new ATOM 0 HA ASP A 37 7.070 -7.315 -32.882 1.00 24.21 H new ATOM 0 HB2 ASP A 37 5.482 -6.382 -34.351 1.00 62.22 H new ATOM 0 HB3 ASP A 37 4.658 -7.771 -33.671 1.00 62.22 H new ATOM 629 N THR A 38 5.934 -5.326 -30.594 1.00 30.43 N ATOM 630 CA THR A 38 6.158 -4.066 -29.897 1.00 43.14 C ATOM 631 C THR A 38 7.031 -4.267 -28.664 1.00 1.12 C ATOM 632 O THR A 38 7.299 -3.324 -27.921 1.00 52.51 O ATOM 633 CB THR A 38 4.829 -3.415 -29.471 1.00 72.31 C ATOM 634 OG1 THR A 38 4.282 -4.110 -28.344 1.00 44.05 O ATOM 635 CG2 THR A 38 3.828 -3.430 -30.616 1.00 54.54 C ATOM 0 H THR A 38 5.321 -5.976 -30.102 1.00 30.43 H new ATOM 0 HA THR A 38 6.669 -3.405 -30.597 1.00 43.14 H new ATOM 0 HB THR A 38 5.029 -2.379 -29.197 1.00 72.31 H new ATOM 0 HG1 THR A 38 4.332 -5.076 -28.500 1.00 44.05 H new ATOM 0 HG21 THR A 38 2.897 -2.965 -30.292 1.00 54.54 H new ATOM 0 HG22 THR A 38 4.235 -2.876 -31.462 1.00 54.54 H new ATOM 0 HG23 THR A 38 3.634 -4.460 -30.916 1.00 54.54 H new ATOM 643 N ASN A 39 7.473 -5.502 -28.452 1.00 74.50 N ATOM 644 CA ASN A 39 8.316 -5.827 -27.307 1.00 42.14 C ATOM 645 C ASN A 39 9.764 -5.423 -27.567 1.00 64.42 C ATOM 646 O ASN A 39 10.616 -5.522 -26.684 1.00 24.40 O ATOM 647 CB ASN A 39 8.240 -7.324 -26.999 1.00 15.41 C ATOM 648 CG ASN A 39 7.116 -7.659 -26.037 1.00 40.21 C ATOM 649 OD1 ASN A 39 7.302 -8.423 -25.090 1.00 21.00 O ATOM 650 ND2 ASN A 39 5.942 -7.087 -26.277 1.00 33.11 N ATOM 0 H ASN A 39 7.261 -6.295 -29.058 1.00 74.50 H new ATOM 0 HA ASN A 39 7.949 -5.267 -26.447 1.00 42.14 H new ATOM 0 HB2 ASN A 39 8.097 -7.877 -27.928 1.00 15.41 H new ATOM 0 HB3 ASN A 39 9.188 -7.654 -26.575 1.00 15.41 H new ATOM 0 HD21 ASN A 39 5.149 -7.275 -25.664 1.00 33.11 H new ATOM 0 HD22 ASN A 39 5.834 -6.460 -27.074 1.00 33.11 H new ATOM 657 N LYS A 40 10.036 -4.967 -28.785 1.00 63.42 N ATOM 658 CA LYS A 40 11.380 -4.546 -29.163 1.00 22.42 C ATOM 659 C LYS A 40 11.942 -3.551 -28.153 1.00 24.01 C ATOM 660 O LYS A 40 13.120 -3.610 -27.799 1.00 1.12 O ATOM 661 CB LYS A 40 11.367 -3.920 -30.559 1.00 63.11 C ATOM 662 CG LYS A 40 11.608 -4.920 -31.677 1.00 31.35 C ATOM 663 CD LYS A 40 10.430 -5.866 -31.842 1.00 11.22 C ATOM 664 CE LYS A 40 10.680 -7.195 -31.146 1.00 63.01 C ATOM 665 NZ LYS A 40 10.271 -8.350 -31.993 1.00 4.22 N ATOM 0 H LYS A 40 9.343 -4.879 -29.528 1.00 63.42 H new ATOM 0 HA LYS A 40 12.021 -5.428 -29.173 1.00 22.42 H new ATOM 0 HB2 LYS A 40 10.406 -3.432 -30.720 1.00 63.11 H new ATOM 0 HB3 LYS A 40 12.130 -3.143 -30.607 1.00 63.11 H new ATOM 0 HG2 LYS A 40 11.782 -4.387 -32.612 1.00 31.35 H new ATOM 0 HG3 LYS A 40 12.510 -5.494 -31.465 1.00 31.35 H new ATOM 0 HD2 LYS A 40 9.531 -5.404 -31.434 1.00 11.22 H new ATOM 0 HD3 LYS A 40 10.246 -6.038 -32.902 1.00 11.22 H new ATOM 0 HE2 LYS A 40 11.738 -7.282 -30.899 1.00 63.01 H new ATOM 0 HE3 LYS A 40 10.130 -7.222 -30.205 1.00 63.01 H new ATOM 0 HZ1 LYS A 40 10.869 -9.171 -31.772 1.00 4.22 H new ATOM 0 HZ2 LYS A 40 9.276 -8.585 -31.802 1.00 4.22 H new ATOM 0 HZ3 LYS A 40 10.382 -8.101 -32.997 1.00 4.22 H new ATOM 679 N ASP A 41 11.093 -2.639 -27.692 1.00 62.41 N ATOM 680 CA ASP A 41 11.505 -1.633 -26.721 1.00 10.25 C ATOM 681 C ASP A 41 10.711 -1.771 -25.425 1.00 52.23 C ATOM 682 O ASP A 41 10.637 -0.835 -24.628 1.00 73.34 O ATOM 683 CB ASP A 41 11.321 -0.229 -27.299 1.00 74.13 C ATOM 684 CG ASP A 41 10.025 -0.088 -28.075 1.00 24.04 C ATOM 685 OD1 ASP A 41 8.971 0.114 -27.437 1.00 13.33 O ATOM 686 OD2 ASP A 41 10.067 -0.179 -29.319 1.00 74.12 O ATOM 0 H ASP A 41 10.115 -2.576 -27.975 1.00 62.41 H new ATOM 0 HA ASP A 41 12.560 -1.790 -26.498 1.00 10.25 H new ATOM 0 HB2 ASP A 41 11.337 0.500 -26.488 1.00 74.13 H new ATOM 0 HB3 ASP A 41 12.161 0.004 -27.954 1.00 74.13 H new ATOM 691 N ASP A 42 10.118 -2.942 -25.223 1.00 22.32 N ATOM 692 CA ASP A 42 9.329 -3.203 -24.024 1.00 62.04 C ATOM 693 C ASP A 42 9.429 -4.669 -23.616 1.00 64.53 C ATOM 694 O ASP A 42 8.548 -5.480 -23.902 1.00 20.31 O ATOM 695 CB ASP A 42 7.866 -2.825 -24.259 1.00 51.21 C ATOM 696 CG ASP A 42 7.192 -2.310 -23.002 1.00 63.12 C ATOM 697 OD1 ASP A 42 7.885 -1.688 -22.171 1.00 1.43 O ATOM 698 OD2 ASP A 42 5.972 -2.531 -22.850 1.00 4.33 O ATOM 0 H ASP A 42 10.168 -3.726 -25.874 1.00 22.32 H new ATOM 0 HA ASP A 42 9.729 -2.592 -23.215 1.00 62.04 H new ATOM 0 HB2 ASP A 42 7.811 -2.062 -25.036 1.00 51.21 H new ATOM 0 HB3 ASP A 42 7.324 -3.695 -24.628 1.00 51.21 H new ATOM 703 N PRO A 43 10.529 -5.020 -22.933 1.00 20.11 N ATOM 704 CA PRO A 43 10.771 -6.390 -22.471 1.00 71.35 C ATOM 705 C PRO A 43 9.824 -6.800 -21.349 1.00 13.42 C ATOM 706 O PRO A 43 9.794 -7.960 -20.940 1.00 31.54 O ATOM 707 CB PRO A 43 12.214 -6.344 -21.963 1.00 40.22 C ATOM 708 CG PRO A 43 12.440 -4.918 -21.593 1.00 73.43 C ATOM 709 CD PRO A 43 11.621 -4.106 -22.558 1.00 14.24 C ATOM 0 HA PRO A 43 10.606 -7.121 -23.262 1.00 71.35 H new ATOM 0 HB2 PRO A 43 12.353 -7.002 -21.105 1.00 40.22 H new ATOM 0 HB3 PRO A 43 12.915 -6.669 -22.732 1.00 40.22 H new ATOM 0 HG2 PRO A 43 12.133 -4.728 -20.564 1.00 73.43 H new ATOM 0 HG3 PRO A 43 13.496 -4.659 -21.663 1.00 73.43 H new ATOM 0 HD2 PRO A 43 11.241 -3.195 -22.095 1.00 14.24 H new ATOM 0 HD3 PRO A 43 12.207 -3.803 -23.426 1.00 14.24 H new ATOM 717 N LYS A 44 9.050 -5.839 -20.854 1.00 71.42 N ATOM 718 CA LYS A 44 8.099 -6.099 -19.780 1.00 24.44 C ATOM 719 C LYS A 44 6.708 -6.377 -20.339 1.00 70.33 C ATOM 720 O LYS A 44 5.861 -6.960 -19.662 1.00 65.04 O ATOM 721 CB LYS A 44 8.046 -4.909 -18.819 1.00 71.21 C ATOM 722 CG LYS A 44 8.995 -5.036 -17.640 1.00 42.12 C ATOM 723 CD LYS A 44 9.221 -3.696 -16.960 1.00 22.23 C ATOM 724 CE LYS A 44 10.254 -3.803 -15.849 1.00 4.44 C ATOM 725 NZ LYS A 44 9.650 -4.277 -14.573 1.00 2.22 N ATOM 0 H LYS A 44 9.063 -4.873 -21.180 1.00 71.42 H new ATOM 0 HA LYS A 44 8.435 -6.982 -19.237 1.00 24.44 H new ATOM 0 HB2 LYS A 44 8.283 -3.998 -19.369 1.00 71.21 H new ATOM 0 HB3 LYS A 44 7.028 -4.800 -18.445 1.00 71.21 H new ATOM 0 HG2 LYS A 44 8.589 -5.747 -16.920 1.00 42.12 H new ATOM 0 HG3 LYS A 44 9.949 -5.438 -17.981 1.00 42.12 H new ATOM 0 HD2 LYS A 44 9.552 -2.964 -17.697 1.00 22.23 H new ATOM 0 HD3 LYS A 44 8.279 -3.332 -16.549 1.00 22.23 H new ATOM 0 HE2 LYS A 44 11.045 -4.489 -16.153 1.00 4.44 H new ATOM 0 HE3 LYS A 44 10.719 -2.830 -15.691 1.00 4.44 H new ATOM 0 HZ1 LYS A 44 10.387 -4.336 -13.841 1.00 2.22 H new ATOM 0 HZ2 LYS A 44 8.913 -3.609 -14.269 1.00 2.22 H new ATOM 0 HZ3 LYS A 44 9.228 -5.217 -14.717 1.00 2.22 H new ATOM 739 N ALA A 45 6.479 -5.958 -21.580 1.00 4.15 N ATOM 740 CA ALA A 45 5.192 -6.165 -22.231 1.00 30.11 C ATOM 741 C ALA A 45 4.818 -7.643 -22.250 1.00 62.34 C ATOM 742 O ALA A 45 3.653 -8.002 -22.078 1.00 62.40 O ATOM 743 CB ALA A 45 5.221 -5.607 -23.646 1.00 73.22 C ATOM 0 H ALA A 45 7.169 -5.473 -22.154 1.00 4.15 H new ATOM 0 HA ALA A 45 4.433 -5.633 -21.658 1.00 30.11 H new ATOM 0 HB1 ALA A 45 4.253 -5.768 -24.121 1.00 73.22 H new ATOM 0 HB2 ALA A 45 5.435 -4.539 -23.612 1.00 73.22 H new ATOM 0 HB3 ALA A 45 5.996 -6.114 -24.221 1.00 73.22 H new ATOM 749 N LYS A 46 5.814 -8.498 -22.462 1.00 55.32 N ATOM 750 CA LYS A 46 5.590 -9.938 -22.504 1.00 3.00 C ATOM 751 C LYS A 46 4.948 -10.427 -21.210 1.00 15.31 C ATOM 752 O LYS A 46 4.094 -11.313 -21.227 1.00 53.41 O ATOM 753 CB LYS A 46 6.912 -10.673 -22.739 1.00 10.03 C ATOM 754 CG LYS A 46 7.930 -10.462 -21.632 1.00 22.14 C ATOM 755 CD LYS A 46 9.315 -10.925 -22.052 1.00 30.31 C ATOM 756 CE LYS A 46 9.882 -10.052 -23.160 1.00 43.14 C ATOM 757 NZ LYS A 46 11.362 -9.920 -23.060 1.00 42.10 N ATOM 0 H LYS A 46 6.784 -8.218 -22.607 1.00 55.32 H new ATOM 0 HA LYS A 46 4.910 -10.151 -23.329 1.00 3.00 H new ATOM 0 HB2 LYS A 46 6.712 -11.740 -22.839 1.00 10.03 H new ATOM 0 HB3 LYS A 46 7.341 -10.339 -23.684 1.00 10.03 H new ATOM 0 HG2 LYS A 46 7.964 -9.406 -21.364 1.00 22.14 H new ATOM 0 HG3 LYS A 46 7.618 -11.007 -20.741 1.00 22.14 H new ATOM 0 HD2 LYS A 46 9.984 -10.903 -21.192 1.00 30.31 H new ATOM 0 HD3 LYS A 46 9.267 -11.960 -22.391 1.00 30.31 H new ATOM 0 HE2 LYS A 46 9.620 -10.479 -24.128 1.00 43.14 H new ATOM 0 HE3 LYS A 46 9.425 -9.063 -23.113 1.00 43.14 H new ATOM 0 HZ1 LYS A 46 11.710 -9.317 -23.833 1.00 42.10 H new ATOM 0 HZ2 LYS A 46 11.611 -9.490 -22.147 1.00 42.10 H new ATOM 0 HZ3 LYS A 46 11.800 -10.861 -23.130 1.00 42.10 H new ATOM 771 N GLU A 47 5.363 -9.842 -20.090 1.00 71.35 N ATOM 772 CA GLU A 47 4.826 -10.219 -18.788 1.00 70.12 C ATOM 773 C GLU A 47 3.342 -9.877 -18.692 1.00 31.11 C ATOM 774 O GLU A 47 2.551 -10.642 -18.139 1.00 1.32 O ATOM 775 CB GLU A 47 5.597 -9.514 -17.670 1.00 53.54 C ATOM 776 CG GLU A 47 4.986 -9.709 -16.293 1.00 24.32 C ATOM 777 CD GLU A 47 5.786 -9.029 -15.199 1.00 14.35 C ATOM 778 OE1 GLU A 47 5.461 -7.872 -14.857 1.00 73.44 O ATOM 779 OE2 GLU A 47 6.736 -9.654 -14.683 1.00 44.52 O ATOM 0 H GLU A 47 6.069 -9.106 -20.059 1.00 71.35 H new ATOM 0 HA GLU A 47 4.941 -11.297 -18.674 1.00 70.12 H new ATOM 0 HB2 GLU A 47 6.623 -9.883 -17.659 1.00 53.54 H new ATOM 0 HB3 GLU A 47 5.644 -8.447 -17.889 1.00 53.54 H new ATOM 0 HG2 GLU A 47 3.969 -9.317 -16.292 1.00 24.32 H new ATOM 0 HG3 GLU A 47 4.916 -10.775 -16.078 1.00 24.32 H new ATOM 786 N LYS A 48 2.971 -8.722 -19.234 1.00 33.21 N ATOM 787 CA LYS A 48 1.582 -8.277 -19.211 1.00 4.10 C ATOM 788 C LYS A 48 0.726 -9.117 -20.153 1.00 40.22 C ATOM 789 O LYS A 48 -0.437 -9.399 -19.865 1.00 72.31 O ATOM 790 CB LYS A 48 1.492 -6.800 -19.603 1.00 24.23 C ATOM 791 CG LYS A 48 2.489 -5.916 -18.874 1.00 1.23 C ATOM 792 CD LYS A 48 2.238 -5.911 -17.375 1.00 42.31 C ATOM 793 CE LYS A 48 3.286 -5.092 -16.637 1.00 44.13 C ATOM 794 NZ LYS A 48 2.975 -4.970 -15.186 1.00 55.33 N ATOM 0 H LYS A 48 3.613 -8.077 -19.695 1.00 33.21 H new ATOM 0 HA LYS A 48 1.203 -8.401 -18.197 1.00 4.10 H new ATOM 0 HB2 LYS A 48 1.654 -6.707 -20.677 1.00 24.23 H new ATOM 0 HB3 LYS A 48 0.483 -6.440 -19.400 1.00 24.23 H new ATOM 0 HG2 LYS A 48 3.502 -6.267 -19.073 1.00 1.23 H new ATOM 0 HG3 LYS A 48 2.423 -4.898 -19.258 1.00 1.23 H new ATOM 0 HD2 LYS A 48 1.247 -5.504 -17.172 1.00 42.31 H new ATOM 0 HD3 LYS A 48 2.245 -6.935 -17.001 1.00 42.31 H new ATOM 0 HE2 LYS A 48 4.264 -5.558 -16.761 1.00 44.13 H new ATOM 0 HE3 LYS A 48 3.348 -4.098 -17.080 1.00 44.13 H new ATOM 0 HZ1 LYS A 48 3.713 -4.405 -14.719 1.00 55.33 H new ATOM 0 HZ2 LYS A 48 2.054 -4.503 -15.067 1.00 55.33 H new ATOM 0 HZ3 LYS A 48 2.941 -5.917 -14.757 1.00 55.33 H new ATOM 808 N PHE A 49 1.309 -9.514 -21.279 1.00 70.23 N ATOM 809 CA PHE A 49 0.599 -10.323 -22.264 1.00 0.43 C ATOM 810 C PHE A 49 0.124 -11.636 -21.648 1.00 40.35 C ATOM 811 O PHE A 49 -0.915 -12.174 -22.032 1.00 44.51 O ATOM 812 CB PHE A 49 1.500 -10.607 -23.467 1.00 42.22 C ATOM 813 CG PHE A 49 0.915 -11.596 -24.434 1.00 30.00 C ATOM 814 CD1 PHE A 49 0.151 -11.167 -25.507 1.00 72.01 C ATOM 815 CD2 PHE A 49 1.129 -12.955 -24.269 1.00 73.13 C ATOM 816 CE1 PHE A 49 -0.389 -12.075 -26.399 1.00 0.31 C ATOM 817 CE2 PHE A 49 0.592 -13.867 -25.158 1.00 71.41 C ATOM 818 CZ PHE A 49 -0.169 -13.427 -26.223 1.00 42.24 C ATOM 0 H PHE A 49 2.271 -9.289 -21.533 1.00 70.23 H new ATOM 0 HA PHE A 49 -0.274 -9.762 -22.598 1.00 0.43 H new ATOM 0 HB2 PHE A 49 1.698 -9.672 -23.991 1.00 42.22 H new ATOM 0 HB3 PHE A 49 2.460 -10.983 -23.112 1.00 42.22 H new ATOM 0 HD1 PHE A 49 -0.025 -10.111 -25.648 1.00 72.01 H new ATOM 0 HD2 PHE A 49 1.722 -13.305 -23.437 1.00 73.13 H new ATOM 0 HE1 PHE A 49 -0.982 -11.727 -27.232 1.00 0.31 H new ATOM 0 HE2 PHE A 49 0.768 -14.924 -25.020 1.00 71.41 H new ATOM 0 HZ PHE A 49 -0.591 -14.139 -26.917 1.00 42.24 H new ATOM 828 N SER A 50 0.893 -12.146 -20.692 1.00 71.51 N ATOM 829 CA SER A 50 0.554 -13.399 -20.026 1.00 41.31 C ATOM 830 C SER A 50 -0.728 -13.252 -19.212 1.00 51.53 C ATOM 831 O SER A 50 -1.515 -14.191 -19.101 1.00 13.24 O ATOM 832 CB SER A 50 1.701 -13.843 -19.116 1.00 72.52 C ATOM 833 OG SER A 50 1.386 -15.057 -18.455 1.00 11.41 O ATOM 0 H SER A 50 1.755 -11.712 -20.361 1.00 71.51 H new ATOM 0 HA SER A 50 0.392 -14.157 -20.792 1.00 41.31 H new ATOM 0 HB2 SER A 50 2.609 -13.971 -19.706 1.00 72.52 H new ATOM 0 HB3 SER A 50 1.906 -13.067 -18.379 1.00 72.52 H new ATOM 0 HG SER A 50 2.135 -15.321 -17.881 1.00 11.41 H new ATOM 839 N GLN A 51 -0.929 -12.066 -18.646 1.00 55.14 N ATOM 840 CA GLN A 51 -2.115 -11.795 -17.842 1.00 73.51 C ATOM 841 C GLN A 51 -3.383 -11.926 -18.680 1.00 62.31 C ATOM 842 O GLN A 51 -4.430 -12.339 -18.181 1.00 32.55 O ATOM 843 CB GLN A 51 -2.035 -10.395 -17.232 1.00 52.02 C ATOM 844 CG GLN A 51 -0.981 -10.264 -16.145 1.00 63.31 C ATOM 845 CD GLN A 51 -1.068 -11.369 -15.111 1.00 73.51 C ATOM 846 OE1 GLN A 51 -2.156 -11.728 -14.660 1.00 33.41 O ATOM 847 NE2 GLN A 51 0.080 -11.916 -14.730 1.00 22.12 N ATOM 0 H GLN A 51 -0.286 -11.278 -18.729 1.00 55.14 H new ATOM 0 HA GLN A 51 -2.154 -12.531 -17.039 1.00 73.51 H new ATOM 0 HB2 GLN A 51 -1.821 -9.675 -18.022 1.00 52.02 H new ATOM 0 HB3 GLN A 51 -3.008 -10.133 -16.816 1.00 52.02 H new ATOM 0 HG2 GLN A 51 0.009 -10.276 -16.601 1.00 63.31 H new ATOM 0 HG3 GLN A 51 -1.093 -9.299 -15.650 1.00 63.31 H new ATOM 0 HE21 GLN A 51 0.959 -11.588 -15.130 1.00 22.12 H new ATOM 0 HE22 GLN A 51 0.083 -12.665 -14.037 1.00 22.12 H new ATOM 856 N LEU A 52 -3.281 -11.572 -19.956 1.00 55.53 N ATOM 857 CA LEU A 52 -4.420 -11.649 -20.865 1.00 13.14 C ATOM 858 C LEU A 52 -4.935 -13.081 -20.972 1.00 13.44 C ATOM 859 O LEU A 52 -6.140 -13.324 -20.907 1.00 2.02 O ATOM 860 CB LEU A 52 -4.029 -11.131 -22.250 1.00 12.43 C ATOM 861 CG LEU A 52 -3.361 -9.756 -22.288 1.00 13.31 C ATOM 862 CD1 LEU A 52 -2.643 -9.548 -23.612 1.00 52.33 C ATOM 863 CD2 LEU A 52 -4.389 -8.657 -22.058 1.00 21.00 C ATOM 0 H LEU A 52 -2.422 -11.229 -20.385 1.00 55.53 H new ATOM 0 HA LEU A 52 -5.217 -11.024 -20.462 1.00 13.14 H new ATOM 0 HB2 LEU A 52 -3.354 -11.853 -22.709 1.00 12.43 H new ATOM 0 HB3 LEU A 52 -4.926 -11.094 -22.869 1.00 12.43 H new ATOM 0 HG LEU A 52 -2.623 -9.709 -21.487 1.00 13.31 H new ATOM 0 HD11 LEU A 52 -2.174 -8.564 -23.621 1.00 52.33 H new ATOM 0 HD12 LEU A 52 -1.879 -10.316 -23.736 1.00 52.33 H new ATOM 0 HD13 LEU A 52 -3.361 -9.615 -24.430 1.00 52.33 H new ATOM 0 HD21 LEU A 52 -3.896 -7.685 -22.088 1.00 21.00 H new ATOM 0 HD22 LEU A 52 -5.150 -8.702 -22.837 1.00 21.00 H new ATOM 0 HD23 LEU A 52 -4.858 -8.796 -21.084 1.00 21.00 H new ATOM 875 N ALA A 53 -4.014 -14.025 -21.134 1.00 11.23 N ATOM 876 CA ALA A 53 -4.375 -15.433 -21.245 1.00 44.31 C ATOM 877 C ALA A 53 -4.892 -15.974 -19.917 1.00 1.35 C ATOM 878 O ALA A 53 -5.740 -16.864 -19.887 1.00 73.54 O ATOM 879 CB ALA A 53 -3.180 -16.247 -21.720 1.00 34.32 C ATOM 0 H ALA A 53 -3.012 -13.840 -21.191 1.00 11.23 H new ATOM 0 HA ALA A 53 -5.176 -15.521 -21.979 1.00 44.31 H new ATOM 0 HB1 ALA A 53 -3.463 -17.297 -21.799 1.00 34.32 H new ATOM 0 HB2 ALA A 53 -2.857 -15.884 -22.696 1.00 34.32 H new ATOM 0 HB3 ALA A 53 -2.363 -16.144 -21.006 1.00 34.32 H new ATOM 885 N GLU A 54 -4.374 -15.430 -18.819 1.00 55.34 N ATOM 886 CA GLU A 54 -4.784 -15.860 -17.488 1.00 33.21 C ATOM 887 C GLU A 54 -6.249 -15.518 -17.232 1.00 74.34 C ATOM 888 O GLU A 54 -7.033 -16.370 -16.814 1.00 63.44 O ATOM 889 CB GLU A 54 -3.903 -15.205 -16.422 1.00 70.22 C ATOM 890 CG GLU A 54 -2.496 -15.775 -16.361 1.00 61.35 C ATOM 891 CD GLU A 54 -2.410 -17.027 -15.510 1.00 62.10 C ATOM 892 OE1 GLU A 54 -3.026 -17.051 -14.424 1.00 53.55 O ATOM 893 OE2 GLU A 54 -1.726 -17.984 -15.930 1.00 44.32 O ATOM 0 H GLU A 54 -3.670 -14.692 -18.826 1.00 55.34 H new ATOM 0 HA GLU A 54 -4.666 -16.942 -17.432 1.00 33.21 H new ATOM 0 HB2 GLU A 54 -3.844 -14.135 -16.619 1.00 70.22 H new ATOM 0 HB3 GLU A 54 -4.377 -15.324 -15.448 1.00 70.22 H new ATOM 0 HG2 GLU A 54 -2.156 -16.003 -17.371 1.00 61.35 H new ATOM 0 HG3 GLU A 54 -1.819 -15.020 -15.960 1.00 61.35 H new ATOM 900 N ALA A 55 -6.611 -14.265 -17.486 1.00 74.15 N ATOM 901 CA ALA A 55 -7.982 -13.810 -17.286 1.00 24.12 C ATOM 902 C ALA A 55 -8.913 -14.389 -18.345 1.00 70.32 C ATOM 903 O ALA A 55 -10.050 -14.758 -18.051 1.00 73.11 O ATOM 904 CB ALA A 55 -8.041 -12.290 -17.302 1.00 44.14 C ATOM 0 H ALA A 55 -5.974 -13.547 -17.831 1.00 74.15 H new ATOM 0 HA ALA A 55 -8.318 -14.165 -16.312 1.00 24.12 H new ATOM 0 HB1 ALA A 55 -9.070 -11.964 -17.152 1.00 44.14 H new ATOM 0 HB2 ALA A 55 -7.414 -11.893 -16.503 1.00 44.14 H new ATOM 0 HB3 ALA A 55 -7.681 -11.922 -18.263 1.00 44.14 H new ATOM 910 N TYR A 56 -8.424 -14.466 -19.578 1.00 12.41 N ATOM 911 CA TYR A 56 -9.214 -14.997 -20.682 1.00 35.10 C ATOM 912 C TYR A 56 -9.562 -16.464 -20.447 1.00 11.25 C ATOM 913 O TYR A 56 -10.572 -16.960 -20.944 1.00 32.53 O ATOM 914 CB TYR A 56 -8.453 -14.847 -22.000 1.00 72.12 C ATOM 915 CG TYR A 56 -9.005 -15.702 -23.119 1.00 24.35 C ATOM 916 CD1 TYR A 56 -10.048 -15.250 -23.916 1.00 53.31 C ATOM 917 CD2 TYR A 56 -8.481 -16.963 -23.378 1.00 40.11 C ATOM 918 CE1 TYR A 56 -10.556 -16.028 -24.938 1.00 65.14 C ATOM 919 CE2 TYR A 56 -8.981 -17.748 -24.399 1.00 40.33 C ATOM 920 CZ TYR A 56 -10.019 -17.276 -25.176 1.00 65.12 C ATOM 921 OH TYR A 56 -10.520 -18.054 -26.194 1.00 71.05 O ATOM 0 H TYR A 56 -7.484 -14.167 -19.838 1.00 12.41 H new ATOM 0 HA TYR A 56 -10.141 -14.427 -20.739 1.00 35.10 H new ATOM 0 HB2 TYR A 56 -8.478 -13.801 -22.307 1.00 72.12 H new ATOM 0 HB3 TYR A 56 -7.407 -15.107 -21.838 1.00 72.12 H new ATOM 0 HD1 TYR A 56 -10.470 -14.273 -23.734 1.00 53.31 H new ATOM 0 HD2 TYR A 56 -7.669 -17.335 -22.771 1.00 40.11 H new ATOM 0 HE1 TYR A 56 -11.369 -15.661 -25.547 1.00 65.14 H new ATOM 0 HE2 TYR A 56 -8.562 -18.725 -24.588 1.00 40.33 H new ATOM 0 HH TYR A 56 -10.031 -18.902 -26.228 1.00 71.05 H new ATOM 931 N GLU A 57 -8.717 -17.151 -19.684 1.00 10.51 N ATOM 932 CA GLU A 57 -8.934 -18.560 -19.382 1.00 74.52 C ATOM 933 C GLU A 57 -10.242 -18.759 -18.622 1.00 14.33 C ATOM 934 O GLU A 57 -11.033 -19.645 -18.944 1.00 71.45 O ATOM 935 CB GLU A 57 -7.767 -19.116 -18.564 1.00 42.20 C ATOM 936 CG GLU A 57 -6.708 -19.807 -19.406 1.00 43.13 C ATOM 937 CD GLU A 57 -5.340 -19.793 -18.751 1.00 34.33 C ATOM 938 OE1 GLU A 57 -4.364 -19.401 -19.424 1.00 33.10 O ATOM 939 OE2 GLU A 57 -5.246 -20.175 -17.566 1.00 13.35 O ATOM 0 H GLU A 57 -7.876 -16.754 -19.264 1.00 10.51 H new ATOM 0 HA GLU A 57 -8.996 -19.101 -20.326 1.00 74.52 H new ATOM 0 HB2 GLU A 57 -7.303 -18.301 -18.009 1.00 42.20 H new ATOM 0 HB3 GLU A 57 -8.153 -19.823 -17.830 1.00 42.20 H new ATOM 0 HG2 GLU A 57 -7.009 -20.839 -19.587 1.00 43.13 H new ATOM 0 HG3 GLU A 57 -6.646 -19.318 -20.378 1.00 43.13 H new ATOM 946 N VAL A 58 -10.463 -17.927 -17.609 1.00 12.51 N ATOM 947 CA VAL A 58 -11.675 -18.009 -16.802 1.00 3.01 C ATOM 948 C VAL A 58 -12.877 -17.454 -17.557 1.00 40.41 C ATOM 949 O VAL A 58 -13.971 -18.017 -17.505 1.00 71.02 O ATOM 950 CB VAL A 58 -11.518 -17.244 -15.474 1.00 50.34 C ATOM 951 CG1 VAL A 58 -12.795 -17.332 -14.653 1.00 30.22 C ATOM 952 CG2 VAL A 58 -10.330 -17.779 -14.689 1.00 15.35 C ATOM 0 H VAL A 58 -9.818 -17.188 -17.328 1.00 12.51 H new ATOM 0 HA VAL A 58 -11.841 -19.065 -16.587 1.00 3.01 H new ATOM 0 HB VAL A 58 -11.332 -16.194 -15.699 1.00 50.34 H new ATOM 0 HG11 VAL A 58 -12.665 -16.786 -13.719 1.00 30.22 H new ATOM 0 HG12 VAL A 58 -13.620 -16.897 -15.216 1.00 30.22 H new ATOM 0 HG13 VAL A 58 -13.016 -18.377 -14.435 1.00 30.22 H new ATOM 0 HG21 VAL A 58 -10.234 -17.227 -13.754 1.00 15.35 H new ATOM 0 HG22 VAL A 58 -10.483 -18.836 -14.473 1.00 15.35 H new ATOM 0 HG23 VAL A 58 -9.421 -17.657 -15.277 1.00 15.35 H new ATOM 962 N LEU A 59 -12.667 -16.346 -18.259 1.00 51.42 N ATOM 963 CA LEU A 59 -13.734 -15.713 -19.027 1.00 50.20 C ATOM 964 C LEU A 59 -14.041 -16.509 -20.291 1.00 70.22 C ATOM 965 O LEU A 59 -15.005 -16.220 -21.000 1.00 62.03 O ATOM 966 CB LEU A 59 -13.344 -14.280 -19.395 1.00 64.32 C ATOM 967 CG LEU A 59 -13.003 -13.356 -18.226 1.00 13.22 C ATOM 968 CD1 LEU A 59 -12.894 -11.915 -18.699 1.00 14.41 C ATOM 969 CD2 LEU A 59 -14.047 -13.481 -17.126 1.00 15.41 C ATOM 0 H LEU A 59 -11.768 -15.867 -18.312 1.00 51.42 H new ATOM 0 HA LEU A 59 -14.630 -15.691 -18.407 1.00 50.20 H new ATOM 0 HB2 LEU A 59 -12.484 -14.319 -20.064 1.00 64.32 H new ATOM 0 HB3 LEU A 59 -14.165 -13.834 -19.957 1.00 64.32 H new ATOM 0 HG LEU A 59 -12.038 -13.657 -17.819 1.00 13.22 H new ATOM 0 HD11 LEU A 59 -12.651 -11.272 -17.853 1.00 14.41 H new ATOM 0 HD12 LEU A 59 -12.109 -11.837 -19.451 1.00 14.41 H new ATOM 0 HD13 LEU A 59 -13.844 -11.601 -19.132 1.00 14.41 H new ATOM 0 HD21 LEU A 59 -13.788 -12.816 -16.302 1.00 15.41 H new ATOM 0 HD22 LEU A 59 -15.025 -13.207 -17.520 1.00 15.41 H new ATOM 0 HD23 LEU A 59 -14.076 -14.510 -16.767 1.00 15.41 H new ATOM 981 N SER A 60 -13.216 -17.515 -20.566 1.00 52.41 N ATOM 982 CA SER A 60 -13.398 -18.352 -21.746 1.00 35.34 C ATOM 983 C SER A 60 -14.571 -19.309 -21.556 1.00 74.32 C ATOM 984 O SER A 60 -15.072 -19.894 -22.518 1.00 3.55 O ATOM 985 CB SER A 60 -12.122 -19.143 -22.038 1.00 30.54 C ATOM 986 OG SER A 60 -12.372 -20.195 -22.953 1.00 73.54 O ATOM 0 H SER A 60 -12.415 -17.770 -19.988 1.00 52.41 H new ATOM 0 HA SER A 60 -13.615 -17.701 -22.593 1.00 35.34 H new ATOM 0 HB2 SER A 60 -11.362 -18.476 -22.445 1.00 30.54 H new ATOM 0 HB3 SER A 60 -11.723 -19.552 -21.109 1.00 30.54 H new ATOM 0 HG SER A 60 -11.540 -20.684 -23.124 1.00 73.54 H new ATOM 992 N ASP A 61 -15.005 -19.464 -20.310 1.00 63.41 N ATOM 993 CA ASP A 61 -16.120 -20.349 -19.993 1.00 25.43 C ATOM 994 C ASP A 61 -17.052 -19.705 -18.972 1.00 4.34 C ATOM 995 O ASP A 61 -16.601 -19.143 -17.974 1.00 25.10 O ATOM 996 CB ASP A 61 -15.602 -21.685 -19.457 1.00 64.11 C ATOM 997 CG ASP A 61 -16.422 -22.862 -19.946 1.00 62.45 C ATOM 998 OD1 ASP A 61 -15.820 -23.892 -20.317 1.00 20.43 O ATOM 999 OD2 ASP A 61 -17.666 -22.754 -19.959 1.00 23.25 O ATOM 0 H ASP A 61 -14.602 -18.988 -19.503 1.00 63.41 H new ATOM 0 HA ASP A 61 -16.682 -20.527 -20.910 1.00 25.43 H new ATOM 0 HB2 ASP A 61 -14.564 -21.818 -19.762 1.00 64.11 H new ATOM 0 HB3 ASP A 61 -15.614 -21.665 -18.367 1.00 64.11 H new ATOM 1004 N GLU A 62 -18.353 -19.789 -19.229 1.00 60.24 N ATOM 1005 CA GLU A 62 -19.348 -19.212 -18.333 1.00 3.10 C ATOM 1006 C GLU A 62 -19.238 -19.817 -16.936 1.00 62.14 C ATOM 1007 O GLU A 62 -19.384 -19.120 -15.932 1.00 72.12 O ATOM 1008 CB GLU A 62 -20.756 -19.434 -18.888 1.00 14.14 C ATOM 1009 CG GLU A 62 -21.019 -20.864 -19.328 1.00 64.14 C ATOM 1010 CD GLU A 62 -22.471 -21.106 -19.691 1.00 10.13 C ATOM 1011 OE1 GLU A 62 -22.834 -20.888 -20.865 1.00 73.23 O ATOM 1012 OE2 GLU A 62 -23.244 -21.513 -18.799 1.00 34.44 O ATOM 0 H GLU A 62 -18.743 -20.251 -20.051 1.00 60.24 H new ATOM 0 HA GLU A 62 -19.158 -18.141 -18.262 1.00 3.10 H new ATOM 0 HB2 GLU A 62 -21.485 -19.157 -18.127 1.00 14.14 H new ATOM 0 HB3 GLU A 62 -20.912 -18.767 -19.736 1.00 14.14 H new ATOM 0 HG2 GLU A 62 -20.390 -21.097 -20.187 1.00 64.14 H new ATOM 0 HG3 GLU A 62 -20.730 -21.545 -18.528 1.00 64.14 H new ATOM 1019 N VAL A 63 -18.980 -21.120 -16.881 1.00 4.10 N ATOM 1020 CA VAL A 63 -18.849 -21.820 -15.609 1.00 35.03 C ATOM 1021 C VAL A 63 -17.689 -21.264 -14.792 1.00 2.14 C ATOM 1022 O VAL A 63 -17.858 -20.879 -13.634 1.00 44.34 O ATOM 1023 CB VAL A 63 -18.637 -23.331 -15.819 1.00 35.12 C ATOM 1024 CG1 VAL A 63 -18.674 -24.066 -14.487 1.00 41.34 C ATOM 1025 CG2 VAL A 63 -19.683 -23.888 -16.773 1.00 13.20 C ATOM 0 H VAL A 63 -18.858 -21.712 -17.703 1.00 4.10 H new ATOM 0 HA VAL A 63 -19.780 -21.663 -15.065 1.00 35.03 H new ATOM 0 HB VAL A 63 -17.654 -23.484 -16.264 1.00 35.12 H new ATOM 0 HG11 VAL A 63 -18.522 -25.132 -14.655 1.00 41.34 H new ATOM 0 HG12 VAL A 63 -17.884 -23.685 -13.839 1.00 41.34 H new ATOM 0 HG13 VAL A 63 -19.642 -23.908 -14.011 1.00 41.34 H new ATOM 0 HG21 VAL A 63 -19.518 -24.957 -16.910 1.00 13.20 H new ATOM 0 HG22 VAL A 63 -20.678 -23.724 -16.358 1.00 13.20 H new ATOM 0 HG23 VAL A 63 -19.604 -23.382 -17.735 1.00 13.20 H new ATOM 1035 N LYS A 64 -16.509 -21.224 -15.401 1.00 61.02 N ATOM 1036 CA LYS A 64 -15.318 -20.713 -14.732 1.00 73.22 C ATOM 1037 C LYS A 64 -15.485 -19.240 -14.375 1.00 42.44 C ATOM 1038 O LYS A 64 -15.095 -18.806 -13.291 1.00 31.10 O ATOM 1039 CB LYS A 64 -14.088 -20.897 -15.624 1.00 75.22 C ATOM 1040 CG LYS A 64 -13.593 -22.331 -15.689 1.00 20.53 C ATOM 1041 CD LYS A 64 -12.086 -22.393 -15.874 1.00 31.11 C ATOM 1042 CE LYS A 64 -11.352 -21.944 -14.620 1.00 44.10 C ATOM 1043 NZ LYS A 64 -11.002 -23.093 -13.740 1.00 71.31 N ATOM 0 H LYS A 64 -16.352 -21.540 -16.358 1.00 61.02 H new ATOM 0 HA LYS A 64 -15.178 -21.278 -13.811 1.00 73.22 H new ATOM 0 HB2 LYS A 64 -14.327 -20.558 -16.632 1.00 75.22 H new ATOM 0 HB3 LYS A 64 -13.284 -20.260 -15.255 1.00 75.22 H new ATOM 0 HG2 LYS A 64 -13.870 -22.854 -14.774 1.00 20.53 H new ATOM 0 HG3 LYS A 64 -14.083 -22.849 -16.513 1.00 20.53 H new ATOM 0 HD2 LYS A 64 -11.791 -23.412 -16.125 1.00 31.11 H new ATOM 0 HD3 LYS A 64 -11.795 -21.761 -16.713 1.00 31.11 H new ATOM 0 HE2 LYS A 64 -10.443 -21.413 -14.902 1.00 44.10 H new ATOM 0 HE3 LYS A 64 -11.974 -21.240 -14.068 1.00 44.10 H new ATOM 0 HZ1 LYS A 64 -10.503 -22.745 -12.897 1.00 71.31 H new ATOM 0 HZ2 LYS A 64 -11.871 -23.585 -13.450 1.00 71.31 H new ATOM 0 HZ3 LYS A 64 -10.387 -23.753 -14.258 1.00 71.31 H new ATOM 1057 N ARG A 65 -16.067 -18.475 -15.294 1.00 21.25 N ATOM 1058 CA ARG A 65 -16.285 -17.050 -15.075 1.00 21.31 C ATOM 1059 C ARG A 65 -17.253 -16.820 -13.918 1.00 43.30 C ATOM 1060 O ARG A 65 -17.012 -15.980 -13.051 1.00 11.52 O ATOM 1061 CB ARG A 65 -16.827 -16.395 -16.346 1.00 55.22 C ATOM 1062 CG ARG A 65 -17.168 -14.923 -16.175 1.00 32.41 C ATOM 1063 CD ARG A 65 -17.943 -14.388 -17.369 1.00 32.41 C ATOM 1064 NE ARG A 65 -18.845 -13.302 -16.994 1.00 65.13 N ATOM 1065 CZ ARG A 65 -19.924 -13.470 -16.238 1.00 62.44 C ATOM 1066 NH1 ARG A 65 -20.234 -14.675 -15.779 1.00 12.32 N ATOM 1067 NH2 ARG A 65 -20.695 -12.432 -15.940 1.00 70.55 N ATOM 0 H ARG A 65 -16.396 -18.818 -16.197 1.00 21.25 H new ATOM 0 HA ARG A 65 -15.327 -16.596 -14.820 1.00 21.31 H new ATOM 0 HB2 ARG A 65 -16.089 -16.498 -17.141 1.00 55.22 H new ATOM 0 HB3 ARG A 65 -17.720 -16.931 -16.669 1.00 55.22 H new ATOM 0 HG2 ARG A 65 -17.757 -14.788 -15.268 1.00 32.41 H new ATOM 0 HG3 ARG A 65 -16.251 -14.348 -16.048 1.00 32.41 H new ATOM 0 HD2 ARG A 65 -17.243 -14.033 -18.126 1.00 32.41 H new ATOM 0 HD3 ARG A 65 -18.518 -15.197 -17.820 1.00 32.41 H new ATOM 0 HE ARG A 65 -18.635 -12.363 -17.331 1.00 65.13 H new ATOM 0 HH11 ARG A 65 -19.643 -15.475 -16.006 1.00 12.32 H new ATOM 0 HH12 ARG A 65 -21.063 -14.802 -15.199 1.00 12.32 H new ATOM 0 HH21 ARG A 65 -20.459 -11.504 -16.292 1.00 70.55 H new ATOM 0 HH22 ARG A 65 -21.523 -12.562 -15.359 1.00 70.55 H new ATOM 1081 N LYS A 66 -18.349 -17.571 -13.912 1.00 3.24 N ATOM 1082 CA LYS A 66 -19.354 -17.450 -12.862 1.00 25.10 C ATOM 1083 C LYS A 66 -18.756 -17.776 -11.497 1.00 11.52 C ATOM 1084 O LYS A 66 -19.038 -17.098 -10.509 1.00 52.10 O ATOM 1085 CB LYS A 66 -20.534 -18.380 -13.149 1.00 35.34 C ATOM 1086 CG LYS A 66 -21.429 -17.898 -14.278 1.00 2.25 C ATOM 1087 CD LYS A 66 -22.353 -16.783 -13.819 1.00 12.51 C ATOM 1088 CE LYS A 66 -23.157 -16.213 -14.978 1.00 34.34 C ATOM 1089 NZ LYS A 66 -23.884 -14.972 -14.591 1.00 72.25 N ATOM 0 H LYS A 66 -18.564 -18.270 -14.623 1.00 3.24 H new ATOM 0 HA LYS A 66 -19.707 -16.419 -12.847 1.00 25.10 H new ATOM 0 HB2 LYS A 66 -20.153 -19.371 -13.397 1.00 35.34 H new ATOM 0 HB3 LYS A 66 -21.131 -18.485 -12.243 1.00 35.34 H new ATOM 0 HG2 LYS A 66 -20.814 -17.545 -15.106 1.00 2.25 H new ATOM 0 HG3 LYS A 66 -22.022 -18.731 -14.655 1.00 2.25 H new ATOM 0 HD2 LYS A 66 -23.032 -17.163 -13.056 1.00 12.51 H new ATOM 0 HD3 LYS A 66 -21.766 -15.989 -13.357 1.00 12.51 H new ATOM 0 HE2 LYS A 66 -22.489 -15.998 -15.812 1.00 34.34 H new ATOM 0 HE3 LYS A 66 -23.871 -16.959 -15.326 1.00 34.34 H new ATOM 0 HZ1 LYS A 66 -24.420 -14.615 -15.408 1.00 72.25 H new ATOM 0 HZ2 LYS A 66 -24.540 -15.183 -13.812 1.00 72.25 H new ATOM 0 HZ3 LYS A 66 -23.201 -14.251 -14.283 1.00 72.25 H new ATOM 1103 N GLN A 67 -17.929 -18.815 -11.450 1.00 72.13 N ATOM 1104 CA GLN A 67 -17.292 -19.229 -10.206 1.00 1.42 C ATOM 1105 C GLN A 67 -16.449 -18.098 -9.624 1.00 72.30 C ATOM 1106 O GLN A 67 -16.407 -17.904 -8.409 1.00 31.01 O ATOM 1107 CB GLN A 67 -16.419 -20.463 -10.441 1.00 10.44 C ATOM 1108 CG GLN A 67 -17.213 -21.751 -10.583 1.00 21.22 C ATOM 1109 CD GLN A 67 -18.109 -22.019 -9.390 1.00 23.54 C ATOM 1110 OE1 GLN A 67 -17.661 -22.540 -8.367 1.00 72.14 O ATOM 1111 NE2 GLN A 67 -19.382 -21.664 -9.513 1.00 72.44 N ATOM 0 H GLN A 67 -17.684 -19.386 -12.259 1.00 72.13 H new ATOM 0 HA GLN A 67 -18.076 -19.479 -9.491 1.00 1.42 H new ATOM 0 HB2 GLN A 67 -15.825 -20.311 -11.342 1.00 10.44 H new ATOM 0 HB3 GLN A 67 -15.720 -20.567 -9.611 1.00 10.44 H new ATOM 0 HG2 GLN A 67 -17.822 -21.700 -11.486 1.00 21.22 H new ATOM 0 HG3 GLN A 67 -16.524 -22.586 -10.710 1.00 21.22 H new ATOM 0 HE21 GLN A 67 -19.711 -21.235 -10.378 1.00 72.44 H new ATOM 0 HE22 GLN A 67 -20.032 -21.820 -8.742 1.00 72.44 H new ATOM 1120 N TYR A 68 -15.779 -17.356 -10.499 1.00 34.14 N ATOM 1121 CA TYR A 68 -14.935 -16.247 -10.071 1.00 52.35 C ATOM 1122 C TYR A 68 -15.782 -15.069 -9.597 1.00 64.24 C ATOM 1123 O TYR A 68 -15.401 -14.348 -8.675 1.00 20.10 O ATOM 1124 CB TYR A 68 -14.021 -15.804 -11.215 1.00 70.22 C ATOM 1125 CG TYR A 68 -13.042 -14.720 -10.823 1.00 73.44 C ATOM 1126 CD1 TYR A 68 -11.906 -15.018 -10.081 1.00 51.12 C ATOM 1127 CD2 TYR A 68 -13.253 -13.399 -11.196 1.00 55.44 C ATOM 1128 CE1 TYR A 68 -11.010 -14.031 -9.720 1.00 42.35 C ATOM 1129 CE2 TYR A 68 -12.362 -12.405 -10.841 1.00 63.04 C ATOM 1130 CZ TYR A 68 -11.242 -12.726 -10.103 1.00 43.10 C ATOM 1131 OH TYR A 68 -10.350 -11.740 -9.747 1.00 15.21 O ATOM 0 H TYR A 68 -15.804 -17.502 -11.508 1.00 34.14 H new ATOM 0 HA TYR A 68 -14.323 -16.590 -9.237 1.00 52.35 H new ATOM 0 HB2 TYR A 68 -13.466 -16.668 -11.581 1.00 70.22 H new ATOM 0 HB3 TYR A 68 -14.635 -15.446 -12.041 1.00 70.22 H new ATOM 0 HD1 TYR A 68 -11.720 -16.039 -9.781 1.00 51.12 H new ATOM 0 HD2 TYR A 68 -14.129 -13.144 -11.774 1.00 55.44 H new ATOM 0 HE1 TYR A 68 -10.133 -14.279 -9.141 1.00 42.35 H new ATOM 0 HE2 TYR A 68 -12.541 -11.383 -11.140 1.00 63.04 H new ATOM 0 HH TYR A 68 -9.450 -12.122 -9.677 1.00 15.21 H new ATOM 1141 N ASP A 69 -16.932 -14.882 -10.235 1.00 1.41 N ATOM 1142 CA ASP A 69 -17.835 -13.793 -9.879 1.00 22.24 C ATOM 1143 C ASP A 69 -18.449 -14.025 -8.502 1.00 31.43 C ATOM 1144 O ASP A 69 -18.773 -13.077 -7.788 1.00 1.13 O ATOM 1145 CB ASP A 69 -18.940 -13.655 -10.927 1.00 42.10 C ATOM 1146 CG ASP A 69 -19.928 -12.557 -10.585 1.00 42.15 C ATOM 1147 OD1 ASP A 69 -21.097 -12.882 -10.293 1.00 54.20 O ATOM 1148 OD2 ASP A 69 -19.532 -11.373 -10.611 1.00 43.44 O ATOM 0 H ASP A 69 -17.261 -15.470 -11.001 1.00 1.41 H new ATOM 0 HA ASP A 69 -17.257 -12.870 -9.849 1.00 22.24 H new ATOM 0 HB2 ASP A 69 -18.492 -13.447 -11.898 1.00 42.10 H new ATOM 0 HB3 ASP A 69 -19.471 -14.602 -11.018 1.00 42.10 H new ATOM 1153 N ALA A 70 -18.607 -15.293 -8.136 1.00 74.32 N ATOM 1154 CA ALA A 70 -19.182 -15.650 -6.845 1.00 21.10 C ATOM 1155 C ALA A 70 -18.334 -15.109 -5.699 1.00 33.03 C ATOM 1156 O ALA A 70 -18.863 -14.663 -4.680 1.00 24.01 O ATOM 1157 CB ALA A 70 -19.326 -17.160 -6.730 1.00 63.45 C ATOM 0 H ALA A 70 -18.345 -16.090 -8.716 1.00 74.32 H new ATOM 0 HA ALA A 70 -20.171 -15.196 -6.777 1.00 21.10 H new ATOM 0 HB1 ALA A 70 -19.757 -17.412 -5.761 1.00 63.45 H new ATOM 0 HB2 ALA A 70 -19.979 -17.525 -7.523 1.00 63.45 H new ATOM 0 HB3 ALA A 70 -18.346 -17.627 -6.824 1.00 63.45 H new ATOM 1163 N TYR A 71 -17.018 -15.152 -5.871 1.00 41.02 N ATOM 1164 CA TYR A 71 -16.097 -14.669 -4.849 1.00 50.22 C ATOM 1165 C TYR A 71 -15.388 -13.400 -5.311 1.00 43.43 C ATOM 1166 O TYR A 71 -14.280 -13.098 -4.869 1.00 40.33 O ATOM 1167 CB TYR A 71 -15.067 -15.747 -4.510 1.00 62.41 C ATOM 1168 CG TYR A 71 -15.678 -17.016 -3.959 1.00 64.12 C ATOM 1169 CD1 TYR A 71 -16.514 -16.984 -2.850 1.00 43.41 C ATOM 1170 CD2 TYR A 71 -15.419 -18.248 -4.549 1.00 10.43 C ATOM 1171 CE1 TYR A 71 -17.073 -18.140 -2.343 1.00 70.41 C ATOM 1172 CE2 TYR A 71 -15.975 -19.409 -4.049 1.00 72.43 C ATOM 1173 CZ TYR A 71 -16.801 -19.351 -2.946 1.00 51.32 C ATOM 1174 OH TYR A 71 -17.358 -20.505 -2.445 1.00 25.20 O ATOM 0 H TYR A 71 -16.565 -15.517 -6.709 1.00 41.02 H new ATOM 0 HA TYR A 71 -16.676 -14.436 -3.955 1.00 50.22 H new ATOM 0 HB2 TYR A 71 -14.497 -15.988 -5.407 1.00 62.41 H new ATOM 0 HB3 TYR A 71 -14.361 -15.347 -3.782 1.00 62.41 H new ATOM 0 HD1 TYR A 71 -16.730 -16.038 -2.376 1.00 43.41 H new ATOM 0 HD2 TYR A 71 -14.772 -18.298 -5.413 1.00 10.43 H new ATOM 0 HE1 TYR A 71 -17.720 -18.097 -1.479 1.00 70.41 H new ATOM 0 HE2 TYR A 71 -15.764 -20.358 -4.519 1.00 72.43 H new ATOM 0 HH TYR A 71 -17.067 -21.270 -2.985 1.00 25.20 H new ATOM 1184 N GLY A 72 -16.036 -12.659 -6.205 1.00 13.42 N ATOM 1185 CA GLY A 72 -15.454 -11.430 -6.713 1.00 32.14 C ATOM 1186 C GLY A 72 -15.941 -10.205 -5.964 1.00 22.21 C ATOM 1187 O GLY A 72 -17.018 -10.221 -5.368 1.00 3.30 O ATOM 0 H GLY A 72 -16.954 -12.888 -6.587 1.00 13.42 H new ATOM 0 HA2 GLY A 72 -14.368 -11.489 -6.640 1.00 32.14 H new ATOM 0 HA3 GLY A 72 -15.697 -11.326 -7.770 1.00 32.14 H new ATOM 1191 N SER A 73 -15.145 -9.141 -5.993 1.00 1.03 N ATOM 1192 CA SER A 73 -15.498 -7.904 -5.307 1.00 10.43 C ATOM 1193 C SER A 73 -16.231 -6.951 -6.247 1.00 23.31 C ATOM 1194 O SER A 73 -16.209 -5.736 -6.056 1.00 70.53 O ATOM 1195 CB SER A 73 -14.243 -7.226 -4.753 1.00 62.41 C ATOM 1196 OG SER A 73 -13.385 -6.808 -5.801 1.00 22.44 O ATOM 0 H SER A 73 -14.252 -9.111 -6.484 1.00 1.03 H new ATOM 0 HA SER A 73 -16.162 -8.154 -4.480 1.00 10.43 H new ATOM 0 HB2 SER A 73 -14.528 -6.366 -4.147 1.00 62.41 H new ATOM 0 HB3 SER A 73 -13.712 -7.916 -4.097 1.00 62.41 H new ATOM 0 HG SER A 73 -13.008 -5.930 -5.584 1.00 22.44 H new TER 1202 SER A 73