USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 722 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 16:sc= 0.279 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -159:sc= 0.993 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -171:sc= 1.04 (180deg=0.968) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.338) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.953 K(o=-0.95,f=-1.5) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0298 K(o=-0.03,f=-0.86) USER MOD Single : A 43 LYS NZ :NH3+ 150:sc= 1.07 (180deg=0.479) USER MOD Single : A 44 TYR OH : rot 30:sc= 0 USER MOD Single : A 51 THR OG1 : rot 47:sc= 1.2 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.319) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -164:sc= -0.145 (180deg=-0.494) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0.3 K(o=0.3,f=-3.1!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.316 X(o=-0.32,f=0) USER MOD Single : A 90 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.201 0.288 -27.145 1.00 0.00 N ATOM 2 CA GLY A 1 -9.970 -0.867 -26.682 1.00 0.00 C ATOM 3 C GLY A 1 -10.108 -0.861 -25.175 1.00 0.00 C ATOM 4 O GLY A 1 -9.100 -0.738 -24.479 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.122 0.259 -28.182 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.684 1.164 -26.859 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.250 0.263 -26.724 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.959 -0.857 -27.141 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.479 -1.786 -27.002 1.00 0.00 H new ATOM 8 N SER A 2 -11.329 -0.995 -24.657 1.00 0.00 N ATOM 9 CA SER A 2 -11.622 -1.047 -23.230 1.00 0.00 C ATOM 10 C SER A 2 -13.022 -1.638 -23.051 1.00 0.00 C ATOM 11 O SER A 2 -14.005 -0.992 -23.415 1.00 0.00 O ATOM 12 CB SER A 2 -11.490 0.345 -22.581 1.00 0.00 C ATOM 13 OG SER A 2 -11.803 1.430 -23.446 1.00 0.00 O ATOM 0 H SER A 2 -12.164 -1.072 -25.238 1.00 0.00 H new ATOM 0 HA SER A 2 -10.898 -1.684 -22.722 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.145 0.390 -21.711 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.469 0.468 -22.219 1.00 0.00 H new ATOM 0 HG SER A 2 -11.697 2.275 -22.962 1.00 0.00 H new ATOM 19 N SER A 3 -13.111 -2.881 -22.580 1.00 0.00 N ATOM 20 CA SER A 3 -14.345 -3.600 -22.283 1.00 0.00 C ATOM 21 C SER A 3 -14.061 -4.608 -21.165 1.00 0.00 C ATOM 22 O SER A 3 -12.903 -4.789 -20.772 1.00 0.00 O ATOM 23 CB SER A 3 -14.840 -4.323 -23.543 1.00 0.00 C ATOM 24 OG SER A 3 -15.433 -3.427 -24.464 1.00 0.00 O ATOM 0 H SER A 3 -12.281 -3.441 -22.386 1.00 0.00 H new ATOM 0 HA SER A 3 -15.120 -2.904 -21.961 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.004 -4.835 -24.020 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.564 -5.088 -23.262 1.00 0.00 H new ATOM 0 HG SER A 3 -15.186 -2.508 -24.231 1.00 0.00 H new ATOM 30 N GLY A 4 -15.099 -5.277 -20.659 1.00 0.00 N ATOM 31 CA GLY A 4 -14.986 -6.167 -19.512 1.00 0.00 C ATOM 32 C GLY A 4 -14.872 -5.377 -18.210 1.00 0.00 C ATOM 33 O GLY A 4 -14.556 -4.180 -18.210 1.00 0.00 O ATOM 0 H GLY A 4 -16.044 -5.213 -21.038 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.857 -6.821 -19.469 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.112 -6.807 -19.630 1.00 0.00 H new ATOM 37 N SER A 5 -15.098 -6.047 -17.083 1.00 0.00 N ATOM 38 CA SER A 5 -14.915 -5.469 -15.757 1.00 0.00 C ATOM 39 C SER A 5 -13.431 -5.208 -15.478 1.00 0.00 C ATOM 40 O SER A 5 -12.554 -5.628 -16.241 1.00 0.00 O ATOM 41 CB SER A 5 -15.518 -6.412 -14.704 1.00 0.00 C ATOM 42 OG SER A 5 -15.017 -7.734 -14.838 1.00 0.00 O ATOM 0 H SER A 5 -15.416 -7.016 -17.066 1.00 0.00 H new ATOM 0 HA SER A 5 -15.430 -4.509 -15.709 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.292 -6.036 -13.706 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.603 -6.422 -14.803 1.00 0.00 H new ATOM 0 HG SER A 5 -15.419 -8.307 -14.152 1.00 0.00 H new ATOM 48 N SER A 6 -13.138 -4.570 -14.350 1.00 0.00 N ATOM 49 CA SER A 6 -11.824 -4.593 -13.725 1.00 0.00 C ATOM 50 C SER A 6 -12.040 -4.687 -12.213 1.00 0.00 C ATOM 51 O SER A 6 -12.908 -3.993 -11.667 1.00 0.00 O ATOM 52 CB SER A 6 -11.029 -3.339 -14.117 1.00 0.00 C ATOM 53 OG SER A 6 -10.927 -3.192 -15.527 1.00 0.00 O ATOM 0 H SER A 6 -13.821 -4.013 -13.836 1.00 0.00 H new ATOM 0 HA SER A 6 -11.239 -5.449 -14.062 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.511 -2.457 -13.695 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.030 -3.394 -13.685 1.00 0.00 H new ATOM 0 HG SER A 6 -10.416 -2.382 -15.735 1.00 0.00 H new ATOM 59 N GLY A 7 -11.268 -5.527 -11.535 1.00 0.00 N ATOM 60 CA GLY A 7 -11.245 -5.702 -10.092 1.00 0.00 C ATOM 61 C GLY A 7 -10.014 -6.520 -9.704 1.00 0.00 C ATOM 62 O GLY A 7 -10.102 -7.416 -8.862 1.00 0.00 O ATOM 0 H GLY A 7 -10.603 -6.139 -12.007 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.222 -4.731 -9.596 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.152 -6.208 -9.761 1.00 0.00 H new ATOM 66 N GLU A 8 -8.882 -6.253 -10.355 1.00 0.00 N ATOM 67 CA GLU A 8 -7.619 -6.948 -10.243 1.00 0.00 C ATOM 68 C GLU A 8 -6.509 -5.882 -10.127 1.00 0.00 C ATOM 69 O GLU A 8 -6.796 -4.683 -10.023 1.00 0.00 O ATOM 70 CB GLU A 8 -7.477 -7.922 -11.437 1.00 0.00 C ATOM 71 CG GLU A 8 -7.499 -7.299 -12.853 1.00 0.00 C ATOM 72 CD GLU A 8 -8.864 -7.164 -13.563 1.00 0.00 C ATOM 73 OE1 GLU A 8 -9.943 -7.483 -13.016 1.00 0.00 O ATOM 74 OE2 GLU A 8 -8.852 -6.707 -14.731 1.00 0.00 O ATOM 0 H GLU A 8 -8.830 -5.484 -11.023 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.547 -7.572 -9.352 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.541 -8.468 -11.321 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.282 -8.654 -11.376 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -7.056 -6.305 -12.788 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.848 -7.896 -13.491 1.00 0.00 H new ATOM 81 N TYR A 9 -5.245 -6.293 -10.127 1.00 0.00 N ATOM 82 CA TYR A 9 -4.074 -5.410 -10.057 1.00 0.00 C ATOM 83 C TYR A 9 -3.076 -5.809 -11.142 1.00 0.00 C ATOM 84 O TYR A 9 -2.994 -6.992 -11.494 1.00 0.00 O ATOM 85 CB TYR A 9 -3.384 -5.511 -8.680 1.00 0.00 C ATOM 86 CG TYR A 9 -4.272 -5.279 -7.467 1.00 0.00 C ATOM 87 CD1 TYR A 9 -4.717 -3.984 -7.144 1.00 0.00 C ATOM 88 CD2 TYR A 9 -4.654 -6.366 -6.656 1.00 0.00 C ATOM 89 CE1 TYR A 9 -5.545 -3.782 -6.023 1.00 0.00 C ATOM 90 CE2 TYR A 9 -5.487 -6.175 -5.539 1.00 0.00 C ATOM 91 CZ TYR A 9 -5.939 -4.876 -5.220 1.00 0.00 C ATOM 92 OH TYR A 9 -6.779 -4.672 -4.167 1.00 0.00 O ATOM 0 H TYR A 9 -4.994 -7.280 -10.177 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.409 -4.383 -10.205 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.936 -6.501 -8.593 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.568 -4.788 -8.651 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.423 -3.144 -7.756 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.303 -7.359 -6.895 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.881 -2.786 -5.776 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.779 -7.017 -4.929 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.695 -5.414 -3.533 1.00 0.00 H new ATOM 102 N LYS A 10 -2.218 -4.883 -11.571 1.00 0.00 N ATOM 103 CA LYS A 10 -1.060 -5.126 -12.438 1.00 0.00 C ATOM 104 C LYS A 10 0.157 -4.344 -11.945 1.00 0.00 C ATOM 105 O LYS A 10 0.070 -3.582 -10.982 1.00 0.00 O ATOM 106 CB LYS A 10 -1.413 -4.831 -13.904 1.00 0.00 C ATOM 107 CG LYS A 10 -1.839 -3.376 -14.154 1.00 0.00 C ATOM 108 CD LYS A 10 -2.291 -3.166 -15.599 1.00 0.00 C ATOM 109 CE LYS A 10 -1.137 -3.241 -16.598 1.00 0.00 C ATOM 110 NZ LYS A 10 -1.634 -3.292 -17.984 1.00 0.00 N ATOM 0 H LYS A 10 -2.313 -3.901 -11.314 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.790 -6.181 -12.389 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.551 -5.061 -14.530 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.219 -5.495 -14.216 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.650 -3.111 -13.476 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.007 -2.708 -13.931 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.036 -3.919 -15.855 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.777 -2.194 -15.685 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.488 -2.374 -16.473 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.532 -4.124 -16.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.829 -3.342 -18.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.234 -4.133 -18.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.191 -2.437 -18.185 1.00 0.00 H new ATOM 124 N ALA A 11 1.300 -4.543 -12.605 1.00 0.00 N ATOM 125 CA ALA A 11 2.497 -3.744 -12.383 1.00 0.00 C ATOM 126 C ALA A 11 2.146 -2.260 -12.541 1.00 0.00 C ATOM 127 O ALA A 11 1.436 -1.895 -13.480 1.00 0.00 O ATOM 128 CB ALA A 11 3.585 -4.185 -13.369 1.00 0.00 C ATOM 0 H ALA A 11 1.417 -5.269 -13.312 1.00 0.00 H new ATOM 0 HA ALA A 11 2.880 -3.892 -11.373 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.484 -3.591 -13.208 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.814 -5.239 -13.211 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.232 -4.039 -14.390 1.00 0.00 H new ATOM 134 N GLY A 12 2.629 -1.428 -11.619 1.00 0.00 N ATOM 135 CA GLY A 12 2.326 -0.006 -11.517 1.00 0.00 C ATOM 136 C GLY A 12 1.331 0.297 -10.394 1.00 0.00 C ATOM 137 O GLY A 12 1.393 1.387 -9.811 1.00 0.00 O ATOM 0 H GLY A 12 3.271 -1.744 -10.892 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.248 0.548 -11.342 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.919 0.345 -12.465 1.00 0.00 H new ATOM 141 N ASP A 13 0.448 -0.649 -10.051 1.00 0.00 N ATOM 142 CA ASP A 13 -0.625 -0.424 -9.084 1.00 0.00 C ATOM 143 C ASP A 13 -0.044 -0.425 -7.678 1.00 0.00 C ATOM 144 O ASP A 13 0.665 -1.358 -7.285 1.00 0.00 O ATOM 145 CB ASP A 13 -1.748 -1.467 -9.205 1.00 0.00 C ATOM 146 CG ASP A 13 -2.569 -1.314 -10.487 1.00 0.00 C ATOM 147 OD1 ASP A 13 -2.654 -0.189 -11.041 1.00 0.00 O ATOM 148 OD2 ASP A 13 -3.142 -2.306 -10.973 1.00 0.00 O ATOM 0 H ASP A 13 0.460 -1.592 -10.439 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.074 0.546 -9.298 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.313 -2.466 -9.175 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.410 -1.382 -8.343 1.00 0.00 H new ATOM 153 N LEU A 14 -0.268 0.656 -6.932 1.00 0.00 N ATOM 154 CA LEU A 14 0.121 0.741 -5.527 1.00 0.00 C ATOM 155 C LEU A 14 -0.977 0.095 -4.689 1.00 0.00 C ATOM 156 O LEU A 14 -2.155 0.243 -5.038 1.00 0.00 O ATOM 157 CB LEU A 14 0.334 2.213 -5.125 1.00 0.00 C ATOM 158 CG LEU A 14 1.470 2.931 -5.885 1.00 0.00 C ATOM 159 CD1 LEU A 14 1.533 4.393 -5.431 1.00 0.00 C ATOM 160 CD2 LEU A 14 2.847 2.286 -5.679 1.00 0.00 C ATOM 0 H LEU A 14 -0.724 1.497 -7.286 1.00 0.00 H new ATOM 0 HA LEU A 14 1.061 0.216 -5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.596 2.758 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.546 2.257 -4.057 1.00 0.00 H new ATOM 0 HG LEU A 14 1.237 2.852 -6.947 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.334 4.905 -5.964 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.583 4.882 -5.646 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.727 4.433 -4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.597 2.842 -6.242 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.102 2.303 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.822 1.254 -6.029 1.00 0.00 H new ATOM 172 N VAL A 15 -0.631 -0.581 -3.582 1.00 0.00 N ATOM 173 CA VAL A 15 -1.593 -1.307 -2.744 1.00 0.00 C ATOM 174 C VAL A 15 -1.274 -1.196 -1.239 1.00 0.00 C ATOM 175 O VAL A 15 -0.194 -0.753 -0.838 1.00 0.00 O ATOM 176 CB VAL A 15 -1.734 -2.774 -3.237 1.00 0.00 C ATOM 177 CG1 VAL A 15 -2.141 -2.803 -4.717 1.00 0.00 C ATOM 178 CG2 VAL A 15 -0.480 -3.648 -3.085 1.00 0.00 C ATOM 0 H VAL A 15 0.329 -0.638 -3.243 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.567 -0.830 -2.855 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.498 -3.198 -2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.236 -3.837 -5.048 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.096 -2.293 -4.842 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.380 -2.299 -5.313 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.688 -4.651 -3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.340 -3.211 -3.655 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.201 -3.704 -2.033 1.00 0.00 H new ATOM 188 N PHE A 16 -2.214 -1.620 -0.387 1.00 0.00 N ATOM 189 CA PHE A 16 -1.972 -1.965 1.014 1.00 0.00 C ATOM 190 C PHE A 16 -2.189 -3.464 1.179 1.00 0.00 C ATOM 191 O PHE A 16 -3.288 -3.960 0.914 1.00 0.00 O ATOM 192 CB PHE A 16 -2.920 -1.211 1.954 1.00 0.00 C ATOM 193 CG PHE A 16 -2.728 0.285 1.951 1.00 0.00 C ATOM 194 CD1 PHE A 16 -1.653 0.864 2.649 1.00 0.00 C ATOM 195 CD2 PHE A 16 -3.627 1.094 1.240 1.00 0.00 C ATOM 196 CE1 PHE A 16 -1.484 2.258 2.639 1.00 0.00 C ATOM 197 CE2 PHE A 16 -3.466 2.485 1.246 1.00 0.00 C ATOM 198 CZ PHE A 16 -2.401 3.072 1.952 1.00 0.00 C ATOM 0 H PHE A 16 -3.189 -1.735 -0.662 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.952 -1.683 1.274 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.949 -1.435 1.672 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.780 -1.583 2.969 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.959 0.238 3.191 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.441 0.645 0.690 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.649 2.705 3.159 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.163 3.109 0.706 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.288 4.146 1.966 1.00 0.00 H new ATOM 208 N ALA A 17 -1.164 -4.177 1.644 1.00 0.00 N ATOM 209 CA ALA A 17 -1.216 -5.594 1.955 1.00 0.00 C ATOM 210 C ALA A 17 -1.549 -5.770 3.434 1.00 0.00 C ATOM 211 O ALA A 17 -0.810 -5.293 4.303 1.00 0.00 O ATOM 212 CB ALA A 17 0.142 -6.218 1.612 1.00 0.00 C ATOM 0 H ALA A 17 -0.247 -3.765 1.818 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.989 -6.093 1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.121 -7.284 1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.349 -6.078 0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.923 -5.737 2.201 1.00 0.00 H new ATOM 218 N LYS A 18 -2.644 -6.476 3.740 1.00 0.00 N ATOM 219 CA LYS A 18 -3.018 -6.766 5.121 1.00 0.00 C ATOM 220 C LYS A 18 -2.383 -8.099 5.477 1.00 0.00 C ATOM 221 O LYS A 18 -2.824 -9.136 4.973 1.00 0.00 O ATOM 222 CB LYS A 18 -4.554 -6.819 5.247 1.00 0.00 C ATOM 223 CG LYS A 18 -5.036 -7.119 6.679 1.00 0.00 C ATOM 224 CD LYS A 18 -4.491 -6.142 7.730 1.00 0.00 C ATOM 225 CE LYS A 18 -5.120 -6.342 9.113 1.00 0.00 C ATOM 226 NZ LYS A 18 -4.653 -7.590 9.748 1.00 0.00 N ATOM 0 H LYS A 18 -3.286 -6.856 3.044 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.669 -5.992 5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.972 -5.866 4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.941 -7.583 4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.125 -7.091 6.700 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.738 -8.132 6.949 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.411 -6.264 7.807 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.673 -5.120 7.398 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.873 -5.494 9.752 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.206 -6.365 9.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.209 -7.771 10.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.773 -8.383 9.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.648 -7.497 9.999 1.00 0.00 H new ATOM 240 N MET A 19 -1.344 -8.102 6.300 1.00 0.00 N ATOM 241 CA MET A 19 -0.779 -9.341 6.835 1.00 0.00 C ATOM 242 C MET A 19 -1.700 -9.928 7.914 1.00 0.00 C ATOM 243 O MET A 19 -2.624 -9.264 8.395 1.00 0.00 O ATOM 244 CB MET A 19 0.638 -9.105 7.380 1.00 0.00 C ATOM 245 CG MET A 19 1.728 -9.738 6.518 1.00 0.00 C ATOM 246 SD MET A 19 3.279 -9.980 7.424 1.00 0.00 S ATOM 247 CE MET A 19 3.903 -8.278 7.472 1.00 0.00 C ATOM 0 H MET A 19 -0.870 -7.256 6.616 1.00 0.00 H new ATOM 0 HA MET A 19 -0.704 -10.065 6.024 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.818 -8.032 7.452 1.00 0.00 H new ATOM 0 HB3 MET A 19 0.703 -9.508 8.391 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.377 -10.699 6.143 1.00 0.00 H new ATOM 0 HG3 MET A 19 1.913 -9.105 5.650 1.00 0.00 H new ATOM 0 HE1 MET A 19 4.857 -8.255 7.999 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.042 -7.912 6.455 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.186 -7.642 7.991 1.00 0.00 H new ATOM 257 N LYS A 20 -1.428 -11.167 8.340 1.00 0.00 N ATOM 258 CA LYS A 20 -1.966 -11.734 9.576 1.00 0.00 C ATOM 259 C LYS A 20 -1.455 -10.874 10.732 1.00 0.00 C ATOM 260 O LYS A 20 -0.244 -10.677 10.832 1.00 0.00 O ATOM 261 CB LYS A 20 -1.505 -13.198 9.709 1.00 0.00 C ATOM 262 CG LYS A 20 -2.088 -13.902 10.947 1.00 0.00 C ATOM 263 CD LYS A 20 -1.312 -15.151 11.404 1.00 0.00 C ATOM 264 CE LYS A 20 -1.634 -16.462 10.676 1.00 0.00 C ATOM 265 NZ LYS A 20 -1.247 -16.472 9.251 1.00 0.00 N ATOM 0 H LYS A 20 -0.822 -11.808 7.829 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.056 -11.734 9.579 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.797 -13.748 8.814 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.417 -13.227 9.760 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.120 -13.190 11.771 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.118 -14.189 10.733 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.247 -14.951 11.291 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.498 -15.297 12.468 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.127 -17.282 11.185 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.704 -16.654 10.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.240 -17.451 8.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.930 -15.912 8.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.298 -16.060 9.146 1.00 0.00 H new ATOM 279 N GLY A 21 -2.341 -10.386 11.600 1.00 0.00 N ATOM 280 CA GLY A 21 -1.996 -9.672 12.825 1.00 0.00 C ATOM 281 C GLY A 21 -1.561 -8.229 12.582 1.00 0.00 C ATOM 282 O GLY A 21 -2.220 -7.305 13.062 1.00 0.00 O ATOM 0 H GLY A 21 -3.348 -10.480 11.464 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.856 -9.677 13.494 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.193 -10.205 13.334 1.00 0.00 H new ATOM 286 N TYR A 22 -0.485 -8.039 11.815 1.00 0.00 N ATOM 287 CA TYR A 22 -0.003 -6.751 11.324 1.00 0.00 C ATOM 288 C TYR A 22 -1.125 -5.955 10.634 1.00 0.00 C ATOM 289 O TYR A 22 -2.089 -6.536 10.125 1.00 0.00 O ATOM 290 CB TYR A 22 1.118 -7.000 10.307 1.00 0.00 C ATOM 291 CG TYR A 22 2.498 -7.350 10.830 1.00 0.00 C ATOM 292 CD1 TYR A 22 3.390 -6.324 11.195 1.00 0.00 C ATOM 293 CD2 TYR A 22 2.951 -8.681 10.791 1.00 0.00 C ATOM 294 CE1 TYR A 22 4.738 -6.617 11.472 1.00 0.00 C ATOM 295 CE2 TYR A 22 4.295 -8.979 11.070 1.00 0.00 C ATOM 296 CZ TYR A 22 5.201 -7.948 11.394 1.00 0.00 C ATOM 297 OH TYR A 22 6.497 -8.227 11.697 1.00 0.00 O ATOM 0 H TYR A 22 0.099 -8.816 11.507 1.00 0.00 H new ATOM 0 HA TYR A 22 0.357 -6.172 12.175 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.797 -7.808 9.649 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.213 -6.106 9.691 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.037 -5.305 11.263 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.263 -9.477 10.546 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.418 -5.824 11.744 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.636 -10.003 11.036 1.00 0.00 H new ATOM 0 HH TYR A 22 6.657 -9.188 11.595 1.00 0.00 H new ATOM 307 N PRO A 23 -0.989 -4.620 10.585 1.00 0.00 N ATOM 308 CA PRO A 23 -1.941 -3.718 9.954 1.00 0.00 C ATOM 309 C PRO A 23 -1.811 -3.746 8.422 1.00 0.00 C ATOM 310 O PRO A 23 -1.046 -4.524 7.852 1.00 0.00 O ATOM 311 CB PRO A 23 -1.614 -2.343 10.553 1.00 0.00 C ATOM 312 CG PRO A 23 -0.113 -2.424 10.813 1.00 0.00 C ATOM 313 CD PRO A 23 0.124 -3.879 11.156 1.00 0.00 C ATOM 0 HA PRO A 23 -2.977 -3.999 10.142 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.860 -1.535 9.864 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.172 -2.161 11.471 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.460 -2.123 9.936 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.186 -1.768 11.630 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.073 -4.225 10.746 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.172 -4.021 12.236 1.00 0.00 H new ATOM 321 N HIS A 24 -2.586 -2.877 7.772 1.00 0.00 N ATOM 322 CA HIS A 24 -2.564 -2.545 6.352 1.00 0.00 C ATOM 323 C HIS A 24 -1.197 -1.933 6.023 1.00 0.00 C ATOM 324 O HIS A 24 -0.997 -0.723 6.188 1.00 0.00 O ATOM 325 CB HIS A 24 -3.730 -1.573 6.063 1.00 0.00 C ATOM 326 CG HIS A 24 -4.990 -1.950 6.801 1.00 0.00 C ATOM 327 ND1 HIS A 24 -5.400 -1.409 7.998 1.00 0.00 N ATOM 328 CD2 HIS A 24 -5.832 -2.984 6.500 1.00 0.00 C ATOM 329 CE1 HIS A 24 -6.435 -2.134 8.442 1.00 0.00 C ATOM 330 NE2 HIS A 24 -6.729 -3.120 7.573 1.00 0.00 N ATOM 0 H HIS A 24 -3.302 -2.346 8.268 1.00 0.00 H new ATOM 0 HA HIS A 24 -2.698 -3.425 5.723 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.435 -0.562 6.346 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.930 -1.559 4.992 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.812 -3.585 5.603 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -6.961 -1.953 9.368 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.458 -3.826 7.674 1.00 0.00 H new ATOM 338 N TRP A 25 -0.225 -2.764 5.651 1.00 0.00 N ATOM 339 CA TRP A 25 1.146 -2.342 5.398 1.00 0.00 C ATOM 340 C TRP A 25 1.238 -1.881 3.937 1.00 0.00 C ATOM 341 O TRP A 25 0.658 -2.540 3.070 1.00 0.00 O ATOM 342 CB TRP A 25 2.104 -3.495 5.747 1.00 0.00 C ATOM 343 CG TRP A 25 3.512 -3.099 6.099 1.00 0.00 C ATOM 344 CD1 TRP A 25 4.448 -2.656 5.229 1.00 0.00 C ATOM 345 CD2 TRP A 25 4.162 -3.077 7.415 1.00 0.00 C ATOM 346 NE1 TRP A 25 5.612 -2.369 5.908 1.00 0.00 N ATOM 347 CE2 TRP A 25 5.489 -2.573 7.259 1.00 0.00 C ATOM 348 CE3 TRP A 25 3.762 -3.400 8.732 1.00 0.00 C ATOM 349 CZ2 TRP A 25 6.361 -2.360 8.340 1.00 0.00 C ATOM 350 CZ3 TRP A 25 4.645 -3.240 9.822 1.00 0.00 C ATOM 351 CH2 TRP A 25 5.939 -2.721 9.627 1.00 0.00 C ATOM 0 H TRP A 25 -0.373 -3.764 5.516 1.00 0.00 H new ATOM 0 HA TRP A 25 1.441 -1.501 6.026 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.683 -4.049 6.586 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.141 -4.179 4.899 1.00 0.00 H new ATOM 0 HD1 TRP A 25 4.305 -2.544 4.164 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.467 -2.042 5.458 1.00 0.00 H new ATOM 0 HE3 TRP A 25 2.765 -3.775 8.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.338 -1.927 8.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.325 -3.518 10.815 1.00 0.00 H new ATOM 0 HH2 TRP A 25 6.606 -2.601 10.468 1.00 0.00 H new ATOM 362 N PRO A 26 1.888 -0.746 3.623 1.00 0.00 N ATOM 363 CA PRO A 26 2.020 -0.308 2.242 1.00 0.00 C ATOM 364 C PRO A 26 2.925 -1.292 1.501 1.00 0.00 C ATOM 365 O PRO A 26 3.997 -1.650 1.988 1.00 0.00 O ATOM 366 CB PRO A 26 2.589 1.109 2.300 1.00 0.00 C ATOM 367 CG PRO A 26 3.260 1.219 3.663 1.00 0.00 C ATOM 368 CD PRO A 26 2.594 0.151 4.526 1.00 0.00 C ATOM 0 HA PRO A 26 1.075 -0.289 1.699 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.304 1.279 1.495 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.801 1.854 2.189 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.334 1.050 3.587 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.123 2.212 4.090 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.338 -0.394 5.108 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.903 0.605 5.237 1.00 0.00 H new ATOM 376 N ALA A 27 2.492 -1.761 0.335 1.00 0.00 N ATOM 377 CA ALA A 27 3.250 -2.703 -0.472 1.00 0.00 C ATOM 378 C ALA A 27 2.973 -2.406 -1.936 1.00 0.00 C ATOM 379 O ALA A 27 1.892 -1.911 -2.249 1.00 0.00 O ATOM 380 CB ALA A 27 2.821 -4.127 -0.113 1.00 0.00 C ATOM 0 H ALA A 27 1.598 -1.494 -0.077 1.00 0.00 H new ATOM 0 HA ALA A 27 4.319 -2.608 -0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.385 -4.840 -0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.015 -4.310 0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.756 -4.247 -0.312 1.00 0.00 H new ATOM 386 N ARG A 28 3.899 -2.690 -2.847 1.00 0.00 N ATOM 387 CA ARG A 28 3.656 -2.509 -4.281 1.00 0.00 C ATOM 388 C ARG A 28 3.390 -3.860 -4.915 1.00 0.00 C ATOM 389 O ARG A 28 3.775 -4.887 -4.348 1.00 0.00 O ATOM 390 CB ARG A 28 4.823 -1.749 -4.935 1.00 0.00 C ATOM 391 CG ARG A 28 6.136 -2.529 -5.064 1.00 0.00 C ATOM 392 CD ARG A 28 7.225 -1.794 -5.857 1.00 0.00 C ATOM 393 NE ARG A 28 6.995 -1.799 -7.312 1.00 0.00 N ATOM 394 CZ ARG A 28 7.942 -1.501 -8.215 1.00 0.00 C ATOM 395 NH1 ARG A 28 9.136 -1.062 -7.833 1.00 0.00 N ATOM 396 NH2 ARG A 28 7.686 -1.637 -9.511 1.00 0.00 N ATOM 0 H ARG A 28 4.827 -3.047 -2.621 1.00 0.00 H new ATOM 0 HA ARG A 28 2.771 -1.893 -4.441 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.512 -1.430 -5.930 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.014 -0.846 -4.356 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.515 -2.750 -4.066 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.933 -3.485 -5.547 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.283 -0.762 -5.510 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.190 -2.256 -5.648 1.00 0.00 H new ATOM 0 HE ARG A 28 6.065 -2.042 -7.652 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.344 -0.947 -6.841 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.845 -0.840 -8.532 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.771 -1.967 -9.818 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.404 -1.411 -10.199 1.00 0.00 H new ATOM 410 N ILE A 29 2.771 -3.846 -6.092 1.00 0.00 N ATOM 411 CA ILE A 29 2.975 -4.905 -7.060 1.00 0.00 C ATOM 412 C ILE A 29 4.327 -4.570 -7.702 1.00 0.00 C ATOM 413 O ILE A 29 4.523 -3.444 -8.165 1.00 0.00 O ATOM 414 CB ILE A 29 1.821 -4.951 -8.091 1.00 0.00 C ATOM 415 CG1 ILE A 29 0.401 -4.911 -7.478 1.00 0.00 C ATOM 416 CG2 ILE A 29 1.995 -6.171 -9.014 1.00 0.00 C ATOM 417 CD1 ILE A 29 0.067 -5.972 -6.428 1.00 0.00 C ATOM 0 H ILE A 29 2.128 -3.114 -6.392 1.00 0.00 H new ATOM 0 HA ILE A 29 2.980 -5.898 -6.610 1.00 0.00 H new ATOM 0 HB ILE A 29 1.895 -4.030 -8.669 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.255 -3.930 -7.026 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.321 -4.999 -8.290 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.180 -6.199 -9.738 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.946 -6.096 -9.541 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.982 -7.083 -8.418 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.957 -5.831 -6.081 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.167 -6.964 -6.868 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.752 -5.878 -5.585 1.00 0.00 H new ATOM 429 N ASP A 30 5.280 -5.498 -7.689 1.00 0.00 N ATOM 430 CA ASP A 30 6.535 -5.356 -8.439 1.00 0.00 C ATOM 431 C ASP A 30 6.292 -5.816 -9.887 1.00 0.00 C ATOM 432 O ASP A 30 5.152 -5.785 -10.366 1.00 0.00 O ATOM 433 CB ASP A 30 7.679 -6.098 -7.729 1.00 0.00 C ATOM 434 CG ASP A 30 9.005 -5.363 -7.955 1.00 0.00 C ATOM 435 OD1 ASP A 30 9.511 -5.329 -9.101 1.00 0.00 O ATOM 436 OD2 ASP A 30 9.492 -4.745 -6.986 1.00 0.00 O ATOM 0 H ASP A 30 5.209 -6.368 -7.162 1.00 0.00 H new ATOM 0 HA ASP A 30 6.853 -4.314 -8.476 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.470 -6.167 -6.661 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.751 -7.118 -8.107 1.00 0.00 H new ATOM 441 N GLU A 31 7.305 -6.232 -10.637 1.00 0.00 N ATOM 442 CA GLU A 31 7.114 -7.265 -11.641 1.00 0.00 C ATOM 443 C GLU A 31 8.223 -8.302 -11.510 1.00 0.00 C ATOM 444 O GLU A 31 9.346 -7.986 -11.119 1.00 0.00 O ATOM 445 CB GLU A 31 7.008 -6.686 -13.060 1.00 0.00 C ATOM 446 CG GLU A 31 6.623 -7.808 -14.030 1.00 0.00 C ATOM 447 CD GLU A 31 6.088 -7.339 -15.369 1.00 0.00 C ATOM 448 OE1 GLU A 31 4.895 -6.956 -15.398 1.00 0.00 O ATOM 449 OE2 GLU A 31 6.832 -7.447 -16.371 1.00 0.00 O ATOM 0 H GLU A 31 8.257 -5.873 -10.569 1.00 0.00 H new ATOM 0 HA GLU A 31 6.158 -7.758 -11.463 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.262 -5.892 -13.088 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.958 -6.241 -13.357 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.498 -8.434 -14.204 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.870 -8.437 -13.555 1.00 0.00 H new ATOM 456 N LEU A 32 7.902 -9.550 -11.851 1.00 0.00 N ATOM 457 CA LEU A 32 8.863 -10.643 -11.827 1.00 0.00 C ATOM 458 C LEU A 32 9.754 -10.508 -13.062 1.00 0.00 C ATOM 459 O LEU A 32 9.219 -10.285 -14.160 1.00 0.00 O ATOM 460 CB LEU A 32 8.147 -12.001 -11.861 1.00 0.00 C ATOM 461 CG LEU A 32 7.138 -12.148 -10.706 1.00 0.00 C ATOM 462 CD1 LEU A 32 5.730 -12.367 -11.271 1.00 0.00 C ATOM 463 CD2 LEU A 32 7.523 -13.267 -9.745 1.00 0.00 C ATOM 0 H LEU A 32 6.967 -9.828 -12.151 1.00 0.00 H new ATOM 0 HA LEU A 32 9.451 -10.594 -10.911 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.628 -12.114 -12.813 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.884 -12.802 -11.803 1.00 0.00 H new ATOM 0 HG LEU A 32 7.151 -11.223 -10.129 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.021 -12.470 -10.450 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.449 -11.514 -11.888 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.718 -13.273 -11.877 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.783 -13.333 -8.948 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.560 -14.213 -10.285 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.502 -13.056 -9.315 1.00 0.00 H new ATOM 475 N PRO A 33 11.073 -10.685 -12.938 1.00 0.00 N ATOM 476 CA PRO A 33 11.960 -10.632 -14.086 1.00 0.00 C ATOM 477 C PRO A 33 11.692 -11.823 -15.013 1.00 0.00 C ATOM 478 O PRO A 33 11.250 -12.888 -14.569 1.00 0.00 O ATOM 479 CB PRO A 33 13.369 -10.613 -13.495 1.00 0.00 C ATOM 480 CG PRO A 33 13.223 -11.302 -12.140 1.00 0.00 C ATOM 481 CD PRO A 33 11.786 -11.024 -11.718 1.00 0.00 C ATOM 0 HA PRO A 33 11.811 -9.754 -14.714 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.075 -11.141 -14.135 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.740 -9.594 -13.385 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.413 -12.373 -12.218 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.933 -10.904 -11.415 1.00 0.00 H new ATOM 0 HD2 PRO A 33 11.344 -11.896 -11.237 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.741 -10.206 -10.999 1.00 0.00 H new ATOM 489 N GLU A 34 11.939 -11.656 -16.311 1.00 0.00 N ATOM 490 CA GLU A 34 11.792 -12.701 -17.302 1.00 0.00 C ATOM 491 C GLU A 34 12.922 -13.714 -17.107 1.00 0.00 C ATOM 492 O GLU A 34 14.032 -13.531 -17.617 1.00 0.00 O ATOM 493 CB GLU A 34 11.748 -12.093 -18.713 1.00 0.00 C ATOM 494 CG GLU A 34 11.537 -13.220 -19.730 1.00 0.00 C ATOM 495 CD GLU A 34 11.044 -12.711 -21.083 1.00 0.00 C ATOM 496 OE1 GLU A 34 11.862 -12.253 -21.913 1.00 0.00 O ATOM 497 OE2 GLU A 34 9.825 -12.855 -21.345 1.00 0.00 O ATOM 0 H GLU A 34 12.253 -10.769 -16.704 1.00 0.00 H new ATOM 0 HA GLU A 34 10.848 -13.231 -17.179 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.941 -11.364 -18.785 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.676 -11.563 -18.925 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.475 -13.758 -19.869 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.816 -13.933 -19.331 1.00 0.00 H new ATOM 504 N GLY A 35 12.650 -14.755 -16.320 1.00 0.00 N ATOM 505 CA GLY A 35 13.610 -15.798 -15.993 1.00 0.00 C ATOM 506 C GLY A 35 13.622 -16.129 -14.506 1.00 0.00 C ATOM 507 O GLY A 35 14.691 -16.477 -13.998 1.00 0.00 O ATOM 0 H GLY A 35 11.738 -14.895 -15.886 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.373 -16.698 -16.561 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.606 -15.480 -16.300 1.00 0.00 H new ATOM 511 N ALA A 36 12.497 -16.017 -13.792 1.00 0.00 N ATOM 512 CA ALA A 36 12.387 -16.328 -12.371 1.00 0.00 C ATOM 513 C ALA A 36 11.059 -17.041 -12.085 1.00 0.00 C ATOM 514 O ALA A 36 10.131 -16.999 -12.897 1.00 0.00 O ATOM 515 CB ALA A 36 12.525 -15.032 -11.567 1.00 0.00 C ATOM 0 H ALA A 36 11.618 -15.699 -14.201 1.00 0.00 H new ATOM 0 HA ALA A 36 13.186 -17.007 -12.071 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.444 -15.254 -10.503 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.495 -14.579 -11.771 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.734 -14.339 -11.854 1.00 0.00 H new ATOM 521 N VAL A 37 10.975 -17.712 -10.932 1.00 0.00 N ATOM 522 CA VAL A 37 9.865 -18.603 -10.611 1.00 0.00 C ATOM 523 C VAL A 37 8.604 -17.775 -10.364 1.00 0.00 C ATOM 524 O VAL A 37 8.506 -17.006 -9.399 1.00 0.00 O ATOM 525 CB VAL A 37 10.222 -19.641 -9.522 1.00 0.00 C ATOM 526 CG1 VAL A 37 11.146 -19.115 -8.424 1.00 0.00 C ATOM 527 CG2 VAL A 37 8.991 -20.317 -8.895 1.00 0.00 C ATOM 0 H VAL A 37 11.678 -17.650 -10.196 1.00 0.00 H new ATOM 0 HA VAL A 37 9.644 -19.241 -11.467 1.00 0.00 H new ATOM 0 HB VAL A 37 10.781 -20.396 -10.075 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.344 -19.909 -7.704 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.086 -18.784 -8.867 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.669 -18.276 -7.918 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.314 -21.033 -8.139 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.358 -19.561 -8.431 1.00 0.00 H new ATOM 0 HG23 VAL A 37 8.427 -20.837 -9.670 1.00 0.00 H new ATOM 537 N LYS A 38 7.654 -17.927 -11.288 1.00 0.00 N ATOM 538 CA LYS A 38 6.370 -17.244 -11.325 1.00 0.00 C ATOM 539 C LYS A 38 5.576 -17.495 -10.037 1.00 0.00 C ATOM 540 O LYS A 38 5.770 -18.516 -9.363 1.00 0.00 O ATOM 541 CB LYS A 38 5.574 -17.769 -12.538 1.00 0.00 C ATOM 542 CG LYS A 38 6.197 -17.441 -13.909 1.00 0.00 C ATOM 543 CD LYS A 38 5.541 -16.274 -14.660 1.00 0.00 C ATOM 544 CE LYS A 38 6.095 -14.914 -14.227 1.00 0.00 C ATOM 545 NZ LYS A 38 5.444 -13.805 -14.957 1.00 0.00 N ATOM 0 H LYS A 38 7.772 -18.568 -12.073 1.00 0.00 H new ATOM 0 HA LYS A 38 6.537 -16.170 -11.412 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.474 -18.851 -12.449 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.567 -17.352 -12.503 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.253 -17.213 -13.765 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.146 -18.331 -14.536 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.697 -16.402 -15.731 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.465 -16.295 -14.490 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.944 -14.783 -13.155 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.170 -14.885 -14.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.843 -12.899 -14.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.609 -13.917 -15.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.421 -13.818 -14.768 1.00 0.00 H new ATOM 559 N PRO A 39 4.614 -16.612 -9.729 1.00 0.00 N ATOM 560 CA PRO A 39 3.655 -16.840 -8.665 1.00 0.00 C ATOM 561 C PRO A 39 2.754 -18.022 -8.980 1.00 0.00 C ATOM 562 O PRO A 39 2.681 -18.477 -10.131 1.00 0.00 O ATOM 563 CB PRO A 39 2.861 -15.533 -8.531 1.00 0.00 C ATOM 564 CG PRO A 39 2.958 -14.908 -9.919 1.00 0.00 C ATOM 565 CD PRO A 39 4.342 -15.346 -10.386 1.00 0.00 C ATOM 0 HA PRO A 39 4.149 -17.093 -7.727 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.825 -15.721 -8.248 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.287 -14.882 -7.768 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.173 -15.271 -10.582 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.868 -13.822 -9.882 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.369 -15.457 -11.470 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.094 -14.602 -10.123 1.00 0.00 H new ATOM 573 N PRO A 40 2.049 -18.523 -7.955 1.00 0.00 N ATOM 574 CA PRO A 40 0.977 -19.459 -8.176 1.00 0.00 C ATOM 575 C PRO A 40 -0.192 -18.783 -8.878 1.00 0.00 C ATOM 576 O PRO A 40 -0.164 -17.591 -9.214 1.00 0.00 O ATOM 577 CB PRO A 40 0.615 -20.017 -6.792 1.00 0.00 C ATOM 578 CG PRO A 40 0.994 -18.881 -5.854 1.00 0.00 C ATOM 579 CD PRO A 40 2.176 -18.202 -6.537 1.00 0.00 C ATOM 0 HA PRO A 40 1.267 -20.275 -8.839 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.445 -20.263 -6.721 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.169 -20.928 -6.567 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.164 -18.188 -5.714 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.267 -19.255 -4.867 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.155 -17.124 -6.376 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.122 -18.566 -6.136 1.00 0.00 H new ATOM 587 N ALA A 41 -1.222 -19.582 -9.129 1.00 0.00 N ATOM 588 CA ALA A 41 -2.414 -19.112 -9.754 1.00 0.00 C ATOM 589 C ALA A 41 -3.045 -18.029 -8.888 1.00 0.00 C ATOM 590 O ALA A 41 -3.215 -18.183 -7.680 1.00 0.00 O ATOM 591 CB ALA A 41 -3.381 -20.268 -9.997 1.00 0.00 C ATOM 0 H ALA A 41 -1.236 -20.575 -8.897 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.172 -18.681 -10.725 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.286 -19.891 -10.475 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.909 -21.007 -10.645 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.640 -20.732 -9.045 1.00 0.00 H new ATOM 597 N ASN A 42 -3.440 -16.971 -9.576 1.00 0.00 N ATOM 598 CA ASN A 42 -4.253 -15.850 -9.106 1.00 0.00 C ATOM 599 C ASN A 42 -3.573 -15.113 -7.940 1.00 0.00 C ATOM 600 O ASN A 42 -4.209 -14.761 -6.938 1.00 0.00 O ATOM 601 CB ASN A 42 -5.692 -16.316 -8.796 1.00 0.00 C ATOM 602 CG ASN A 42 -6.387 -17.061 -9.935 1.00 0.00 C ATOM 603 OD1 ASN A 42 -5.903 -17.136 -11.066 1.00 0.00 O ATOM 604 ND2 ASN A 42 -7.524 -17.671 -9.666 1.00 0.00 N ATOM 0 H ASN A 42 -3.182 -16.860 -10.557 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.336 -15.112 -9.904 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.668 -16.963 -7.919 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.291 -15.445 -8.532 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.001 -18.204 -10.393 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.926 -17.610 -8.731 1.00 0.00 H new ATOM 611 N LYS A 43 -2.258 -14.906 -8.061 1.00 0.00 N ATOM 612 CA LYS A 43 -1.369 -14.280 -7.094 1.00 0.00 C ATOM 613 C LYS A 43 -0.384 -13.339 -7.814 1.00 0.00 C ATOM 614 O LYS A 43 0.211 -13.720 -8.817 1.00 0.00 O ATOM 615 CB LYS A 43 -0.658 -15.428 -6.358 1.00 0.00 C ATOM 616 CG LYS A 43 -1.549 -16.035 -5.260 1.00 0.00 C ATOM 617 CD LYS A 43 -0.767 -16.241 -3.958 1.00 0.00 C ATOM 618 CE LYS A 43 -1.566 -17.030 -2.922 1.00 0.00 C ATOM 619 NZ LYS A 43 -0.784 -17.256 -1.688 1.00 0.00 N ATOM 0 H LYS A 43 -1.757 -15.195 -8.901 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.907 -13.659 -6.378 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.381 -16.203 -7.073 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.267 -15.059 -5.914 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.400 -15.379 -5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.950 -16.990 -5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.163 -16.767 -4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.495 -15.271 -3.542 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.481 -16.490 -2.680 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.864 -17.989 -3.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.429 -17.310 -0.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.255 -18.148 -1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.117 -16.470 -1.550 1.00 0.00 H new ATOM 633 N TYR A 44 -0.200 -12.126 -7.281 1.00 0.00 N ATOM 634 CA TYR A 44 0.655 -11.050 -7.777 1.00 0.00 C ATOM 635 C TYR A 44 1.965 -10.960 -6.969 1.00 0.00 C ATOM 636 O TYR A 44 1.934 -11.187 -5.760 1.00 0.00 O ATOM 637 CB TYR A 44 -0.095 -9.728 -7.579 1.00 0.00 C ATOM 638 CG TYR A 44 -1.562 -9.748 -7.947 1.00 0.00 C ATOM 639 CD1 TYR A 44 -1.921 -9.650 -9.294 1.00 0.00 C ATOM 640 CD2 TYR A 44 -2.555 -9.878 -6.960 1.00 0.00 C ATOM 641 CE1 TYR A 44 -3.271 -9.660 -9.680 1.00 0.00 C ATOM 642 CE2 TYR A 44 -3.910 -9.898 -7.333 1.00 0.00 C ATOM 643 CZ TYR A 44 -4.274 -9.786 -8.695 1.00 0.00 C ATOM 644 OH TYR A 44 -5.586 -9.775 -9.053 1.00 0.00 O ATOM 0 H TYR A 44 -0.684 -11.854 -6.426 1.00 0.00 H new ATOM 0 HA TYR A 44 0.892 -11.244 -8.823 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.005 -9.433 -6.534 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.399 -8.958 -8.171 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.151 -9.566 -10.047 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.278 -9.962 -5.920 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.540 -9.572 -10.722 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.675 -9.999 -6.578 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.682 -10.144 -9.956 1.00 0.00 H new ATOM 654 N PRO A 45 3.105 -10.572 -7.550 1.00 0.00 N ATOM 655 CA PRO A 45 4.356 -10.398 -6.814 1.00 0.00 C ATOM 656 C PRO A 45 4.313 -9.149 -5.919 1.00 0.00 C ATOM 657 O PRO A 45 4.473 -8.029 -6.410 1.00 0.00 O ATOM 658 CB PRO A 45 5.429 -10.300 -7.901 1.00 0.00 C ATOM 659 CG PRO A 45 4.681 -9.700 -9.094 1.00 0.00 C ATOM 660 CD PRO A 45 3.269 -10.275 -8.960 1.00 0.00 C ATOM 0 HA PRO A 45 4.555 -11.221 -6.128 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.259 -9.666 -7.589 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.847 -11.278 -8.141 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.675 -8.611 -9.057 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.142 -9.984 -10.040 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.520 -9.560 -9.300 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.151 -11.173 -9.567 1.00 0.00 H new ATOM 668 N ILE A 46 4.069 -9.324 -4.616 1.00 0.00 N ATOM 669 CA ILE A 46 4.038 -8.210 -3.667 1.00 0.00 C ATOM 670 C ILE A 46 5.468 -7.867 -3.217 1.00 0.00 C ATOM 671 O ILE A 46 6.360 -8.724 -3.248 1.00 0.00 O ATOM 672 CB ILE A 46 3.074 -8.535 -2.494 1.00 0.00 C ATOM 673 CG1 ILE A 46 1.734 -9.123 -2.989 1.00 0.00 C ATOM 674 CG2 ILE A 46 2.754 -7.295 -1.641 1.00 0.00 C ATOM 675 CD1 ILE A 46 0.997 -8.270 -4.034 1.00 0.00 C ATOM 0 H ILE A 46 3.889 -10.235 -4.194 1.00 0.00 H new ATOM 0 HA ILE A 46 3.642 -7.314 -4.146 1.00 0.00 H new ATOM 0 HB ILE A 46 3.602 -9.272 -1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.922 -10.109 -3.414 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.078 -9.266 -2.130 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.076 -7.574 -0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.676 -6.896 -1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.282 -6.536 -2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.069 -8.765 -4.319 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.771 -7.291 -3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.628 -8.148 -4.914 1.00 0.00 H new ATOM 687 N PHE A 47 5.673 -6.619 -2.783 1.00 0.00 N ATOM 688 CA PHE A 47 6.898 -6.107 -2.177 1.00 0.00 C ATOM 689 C PHE A 47 6.484 -5.139 -1.059 1.00 0.00 C ATOM 690 O PHE A 47 5.950 -4.069 -1.352 1.00 0.00 O ATOM 691 CB PHE A 47 7.741 -5.444 -3.281 1.00 0.00 C ATOM 692 CG PHE A 47 9.074 -4.845 -2.867 1.00 0.00 C ATOM 693 CD1 PHE A 47 10.061 -5.702 -2.347 1.00 0.00 C ATOM 694 CD2 PHE A 47 9.379 -3.480 -3.084 1.00 0.00 C ATOM 695 CE1 PHE A 47 11.347 -5.226 -2.052 1.00 0.00 C ATOM 696 CE2 PHE A 47 10.677 -3.014 -2.803 1.00 0.00 C ATOM 697 CZ PHE A 47 11.658 -3.880 -2.284 1.00 0.00 C ATOM 0 H PHE A 47 4.948 -5.904 -2.850 1.00 0.00 H new ATOM 0 HA PHE A 47 7.515 -6.888 -1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.930 -6.188 -4.055 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.142 -4.655 -3.736 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.825 -6.741 -2.172 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.625 -2.804 -3.460 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.094 -5.894 -1.648 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.924 -1.979 -2.988 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.648 -3.508 -2.065 1.00 0.00 H new ATOM 707 N PHE A 48 6.630 -5.528 0.216 1.00 0.00 N ATOM 708 CA PHE A 48 6.240 -4.730 1.387 1.00 0.00 C ATOM 709 C PHE A 48 7.242 -3.595 1.574 1.00 0.00 C ATOM 710 O PHE A 48 8.326 -3.837 2.118 1.00 0.00 O ATOM 711 CB PHE A 48 6.205 -5.573 2.675 1.00 0.00 C ATOM 712 CG PHE A 48 5.106 -6.607 2.789 1.00 0.00 C ATOM 713 CD1 PHE A 48 3.842 -6.235 3.280 1.00 0.00 C ATOM 714 CD2 PHE A 48 5.364 -7.953 2.479 1.00 0.00 C ATOM 715 CE1 PHE A 48 2.844 -7.208 3.461 1.00 0.00 C ATOM 716 CE2 PHE A 48 4.339 -8.910 2.574 1.00 0.00 C ATOM 717 CZ PHE A 48 3.088 -8.542 3.094 1.00 0.00 C ATOM 0 H PHE A 48 7.033 -6.430 0.468 1.00 0.00 H new ATOM 0 HA PHE A 48 5.237 -4.344 1.206 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.163 -6.084 2.771 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.120 -4.893 3.523 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.638 -5.202 3.518 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.353 -8.253 2.167 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.889 -6.930 3.882 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.513 -9.925 2.248 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.313 -9.285 3.212 1.00 0.00 H new ATOM 727 N PHE A 49 6.884 -2.402 1.100 1.00 0.00 N ATOM 728 CA PHE A 49 7.710 -1.204 1.012 1.00 0.00 C ATOM 729 C PHE A 49 8.421 -0.903 2.326 1.00 0.00 C ATOM 730 O PHE A 49 7.823 -1.012 3.398 1.00 0.00 O ATOM 731 CB PHE A 49 6.818 -0.023 0.584 1.00 0.00 C ATOM 732 CG PHE A 49 6.904 0.324 -0.882 1.00 0.00 C ATOM 733 CD1 PHE A 49 8.171 0.607 -1.415 1.00 0.00 C ATOM 734 CD2 PHE A 49 5.759 0.475 -1.691 1.00 0.00 C ATOM 735 CE1 PHE A 49 8.308 1.026 -2.740 1.00 0.00 C ATOM 736 CE2 PHE A 49 5.899 0.954 -3.002 1.00 0.00 C ATOM 737 CZ PHE A 49 7.172 1.155 -3.552 1.00 0.00 C ATOM 0 H PHE A 49 5.943 -2.239 0.743 1.00 0.00 H new ATOM 0 HA PHE A 49 8.491 -1.368 0.270 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.782 -0.258 0.829 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.092 0.855 1.169 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.048 0.500 -0.795 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.782 0.224 -1.304 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.286 1.250 -3.138 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.020 1.169 -3.591 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.278 1.408 -4.597 1.00 0.00 H new ATOM 747 N GLY A 50 9.688 -0.493 2.263 1.00 0.00 N ATOM 748 CA GLY A 50 10.503 -0.069 3.399 1.00 0.00 C ATOM 749 C GLY A 50 11.026 -1.232 4.244 1.00 0.00 C ATOM 750 O GLY A 50 12.153 -1.168 4.736 1.00 0.00 O ATOM 0 H GLY A 50 10.195 -0.446 1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.349 0.512 3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.913 0.593 4.032 1.00 0.00 H new ATOM 754 N THR A 51 10.229 -2.285 4.438 1.00 0.00 N ATOM 755 CA THR A 51 10.655 -3.525 5.074 1.00 0.00 C ATOM 756 C THR A 51 11.474 -4.397 4.123 1.00 0.00 C ATOM 757 O THR A 51 12.312 -5.170 4.589 1.00 0.00 O ATOM 758 CB THR A 51 9.429 -4.308 5.588 1.00 0.00 C ATOM 759 OG1 THR A 51 8.233 -4.018 4.878 1.00 0.00 O ATOM 760 CG2 THR A 51 9.182 -3.967 7.056 1.00 0.00 C ATOM 0 H THR A 51 9.251 -2.296 4.150 1.00 0.00 H new ATOM 0 HA THR A 51 11.295 -3.261 5.916 1.00 0.00 H new ATOM 0 HB THR A 51 9.665 -5.362 5.443 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.409 -4.048 3.914 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.316 -4.521 7.417 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.058 -4.239 7.645 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.996 -2.898 7.155 1.00 0.00 H new ATOM 768 N HIS A 52 11.234 -4.283 2.813 1.00 0.00 N ATOM 769 CA HIS A 52 11.783 -5.154 1.785 1.00 0.00 C ATOM 770 C HIS A 52 11.580 -6.626 2.177 1.00 0.00 C ATOM 771 O HIS A 52 12.534 -7.391 2.331 1.00 0.00 O ATOM 772 CB HIS A 52 13.224 -4.751 1.427 1.00 0.00 C ATOM 773 CG HIS A 52 13.550 -3.277 1.542 1.00 0.00 C ATOM 774 ND1 HIS A 52 14.562 -2.767 2.320 1.00 0.00 N ATOM 775 CD2 HIS A 52 12.900 -2.217 0.964 1.00 0.00 C ATOM 776 CE1 HIS A 52 14.530 -1.429 2.217 1.00 0.00 C ATOM 777 NE2 HIS A 52 13.547 -1.045 1.382 1.00 0.00 N ATOM 0 H HIS A 52 10.630 -3.554 2.432 1.00 0.00 H new ATOM 0 HA HIS A 52 11.236 -5.029 0.851 1.00 0.00 H new ATOM 0 HB2 HIS A 52 13.906 -5.305 2.072 1.00 0.00 H new ATOM 0 HB3 HIS A 52 13.425 -5.068 0.404 1.00 0.00 H new ATOM 0 HD2 HIS A 52 12.045 -2.274 0.306 1.00 0.00 H new ATOM 0 HE1 HIS A 52 15.199 -0.755 2.732 1.00 0.00 H new ATOM 0 HE2 HIS A 52 13.318 -0.090 1.107 1.00 0.00 H new ATOM 785 N GLU A 53 10.311 -7.010 2.344 1.00 0.00 N ATOM 786 CA GLU A 53 9.869 -8.397 2.380 1.00 0.00 C ATOM 787 C GLU A 53 9.071 -8.677 1.108 1.00 0.00 C ATOM 788 O GLU A 53 8.323 -7.813 0.633 1.00 0.00 O ATOM 789 CB GLU A 53 8.956 -8.660 3.590 1.00 0.00 C ATOM 790 CG GLU A 53 9.656 -8.653 4.956 1.00 0.00 C ATOM 791 CD GLU A 53 9.299 -9.929 5.728 1.00 0.00 C ATOM 792 OE1 GLU A 53 9.786 -11.024 5.358 1.00 0.00 O ATOM 793 OE2 GLU A 53 8.525 -9.881 6.713 1.00 0.00 O ATOM 0 H GLU A 53 9.547 -6.344 2.460 1.00 0.00 H new ATOM 0 HA GLU A 53 10.745 -9.042 2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.169 -7.906 3.600 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.471 -9.626 3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.736 -8.588 4.821 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.353 -7.775 5.526 1.00 0.00 H new ATOM 800 N THR A 54 9.141 -9.910 0.618 1.00 0.00 N ATOM 801 CA THR A 54 8.345 -10.398 -0.498 1.00 0.00 C ATOM 802 C THR A 54 7.526 -11.598 -0.037 1.00 0.00 C ATOM 803 O THR A 54 8.000 -12.414 0.763 1.00 0.00 O ATOM 804 CB THR A 54 9.238 -10.719 -1.701 1.00 0.00 C ATOM 805 OG1 THR A 54 10.369 -11.473 -1.324 1.00 0.00 O ATOM 806 CG2 THR A 54 9.732 -9.421 -2.328 1.00 0.00 C ATOM 0 H THR A 54 9.771 -10.616 0.998 1.00 0.00 H new ATOM 0 HA THR A 54 7.652 -9.625 -0.830 1.00 0.00 H new ATOM 0 HB THR A 54 8.641 -11.298 -2.406 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.915 -11.661 -2.116 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.367 -9.649 -3.184 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.879 -8.828 -2.657 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.304 -8.856 -1.592 1.00 0.00 H new ATOM 814 N ALA A 55 6.299 -11.695 -0.546 1.00 0.00 N ATOM 815 CA ALA A 55 5.432 -12.855 -0.446 1.00 0.00 C ATOM 816 C ALA A 55 4.520 -12.873 -1.673 1.00 0.00 C ATOM 817 O ALA A 55 4.431 -11.878 -2.404 1.00 0.00 O ATOM 818 CB ALA A 55 4.593 -12.770 0.834 1.00 0.00 C ATOM 0 H ALA A 55 5.868 -10.928 -1.062 1.00 0.00 H new ATOM 0 HA ALA A 55 6.025 -13.769 -0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.945 -13.644 0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.253 -12.739 1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.983 -11.867 0.810 1.00 0.00 H new ATOM 824 N PHE A 56 3.795 -13.972 -1.873 1.00 0.00 N ATOM 825 CA PHE A 56 2.717 -14.048 -2.841 1.00 0.00 C ATOM 826 C PHE A 56 1.394 -14.025 -2.074 1.00 0.00 C ATOM 827 O PHE A 56 0.999 -15.021 -1.460 1.00 0.00 O ATOM 828 CB PHE A 56 2.867 -15.288 -3.741 1.00 0.00 C ATOM 829 CG PHE A 56 4.032 -15.267 -4.720 1.00 0.00 C ATOM 830 CD1 PHE A 56 4.369 -14.090 -5.416 1.00 0.00 C ATOM 831 CD2 PHE A 56 4.769 -16.441 -4.966 1.00 0.00 C ATOM 832 CE1 PHE A 56 5.433 -14.089 -6.331 1.00 0.00 C ATOM 833 CE2 PHE A 56 5.848 -16.435 -5.868 1.00 0.00 C ATOM 834 CZ PHE A 56 6.170 -15.259 -6.562 1.00 0.00 C ATOM 0 H PHE A 56 3.946 -14.840 -1.359 1.00 0.00 H new ATOM 0 HA PHE A 56 2.745 -13.194 -3.517 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.971 -16.165 -3.102 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.945 -15.414 -4.308 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.806 -13.184 -5.245 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.503 -17.356 -4.457 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.685 -13.182 -6.860 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.427 -17.333 -6.026 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.984 -15.255 -7.272 1.00 0.00 H new ATOM 844 N LEU A 57 0.685 -12.900 -2.155 1.00 0.00 N ATOM 845 CA LEU A 57 -0.656 -12.688 -1.617 1.00 0.00 C ATOM 846 C LEU A 57 -1.689 -12.654 -2.745 1.00 0.00 C ATOM 847 O LEU A 57 -1.458 -11.996 -3.764 1.00 0.00 O ATOM 848 CB LEU A 57 -0.699 -11.347 -0.881 1.00 0.00 C ATOM 849 CG LEU A 57 0.303 -11.176 0.272 1.00 0.00 C ATOM 850 CD1 LEU A 57 0.069 -9.820 0.943 1.00 0.00 C ATOM 851 CD2 LEU A 57 0.156 -12.296 1.300 1.00 0.00 C ATOM 0 H LEU A 57 1.050 -12.070 -2.622 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.890 -13.507 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.526 -10.552 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.705 -11.205 -0.485 1.00 0.00 H new ATOM 0 HG LEU A 57 1.314 -11.222 -0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.777 -9.692 1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.211 -9.023 0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.948 -9.777 1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.877 -12.149 2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.853 -12.282 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.339 -13.257 0.820 1.00 0.00 H new ATOM 863 N GLY A 58 -2.810 -13.360 -2.593 1.00 0.00 N ATOM 864 CA GLY A 58 -3.955 -13.214 -3.482 1.00 0.00 C ATOM 865 C GLY A 58 -4.707 -11.893 -3.234 1.00 0.00 C ATOM 866 O GLY A 58 -4.480 -11.231 -2.218 1.00 0.00 O ATOM 0 H GLY A 58 -2.946 -14.047 -1.851 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.618 -13.251 -4.518 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.636 -14.053 -3.338 1.00 0.00 H new ATOM 870 N PRO A 59 -5.625 -11.505 -4.137 1.00 0.00 N ATOM 871 CA PRO A 59 -6.340 -10.231 -4.064 1.00 0.00 C ATOM 872 C PRO A 59 -7.135 -10.023 -2.768 1.00 0.00 C ATOM 873 O PRO A 59 -7.240 -8.888 -2.307 1.00 0.00 O ATOM 874 CB PRO A 59 -7.249 -10.152 -5.295 1.00 0.00 C ATOM 875 CG PRO A 59 -6.977 -11.412 -6.120 1.00 0.00 C ATOM 876 CD PRO A 59 -5.913 -12.212 -5.373 1.00 0.00 C ATOM 0 HA PRO A 59 -5.606 -9.425 -4.054 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.297 -10.101 -5.000 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.037 -9.255 -5.876 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -7.888 -11.999 -6.240 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.632 -11.151 -7.121 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.268 -13.221 -5.164 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.012 -12.310 -5.978 1.00 0.00 H new ATOM 884 N LYS A 60 -7.673 -11.082 -2.150 1.00 0.00 N ATOM 885 CA LYS A 60 -8.379 -10.978 -0.866 1.00 0.00 C ATOM 886 C LYS A 60 -7.510 -10.414 0.262 1.00 0.00 C ATOM 887 O LYS A 60 -8.059 -10.023 1.288 1.00 0.00 O ATOM 888 CB LYS A 60 -8.973 -12.342 -0.466 1.00 0.00 C ATOM 889 CG LYS A 60 -10.382 -12.521 -1.050 1.00 0.00 C ATOM 890 CD LYS A 60 -10.939 -13.951 -0.968 1.00 0.00 C ATOM 891 CE LYS A 60 -11.183 -14.454 0.464 1.00 0.00 C ATOM 892 NZ LYS A 60 -9.983 -15.056 1.080 1.00 0.00 N ATOM 0 H LYS A 60 -7.632 -12.030 -2.523 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.187 -10.261 -1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.324 -13.143 -0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.013 -12.421 0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.064 -11.850 -0.527 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.369 -12.211 -2.095 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.877 -13.995 -1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.244 -14.628 -1.465 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.523 -13.623 1.082 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.986 -15.191 0.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.272 -15.779 1.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.398 -15.497 0.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.433 -14.317 1.563 1.00 0.00 H new ATOM 906 N ASP A 61 -6.187 -10.368 0.124 1.00 0.00 N ATOM 907 CA ASP A 61 -5.277 -9.883 1.161 1.00 0.00 C ATOM 908 C ASP A 61 -4.776 -8.459 0.843 1.00 0.00 C ATOM 909 O ASP A 61 -3.901 -7.941 1.545 1.00 0.00 O ATOM 910 CB ASP A 61 -4.078 -10.833 1.291 1.00 0.00 C ATOM 911 CG ASP A 61 -4.395 -12.294 1.635 1.00 0.00 C ATOM 912 OD1 ASP A 61 -4.870 -13.056 0.755 1.00 0.00 O ATOM 913 OD2 ASP A 61 -4.104 -12.709 2.778 1.00 0.00 O ATOM 0 H ASP A 61 -5.709 -10.671 -0.724 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.825 -9.852 2.103 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.526 -10.816 0.351 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.412 -10.439 2.059 1.00 0.00 H new ATOM 918 N LEU A 62 -5.268 -7.833 -0.236 1.00 0.00 N ATOM 919 CA LEU A 62 -4.677 -6.667 -0.888 1.00 0.00 C ATOM 920 C LEU A 62 -5.763 -5.647 -1.202 1.00 0.00 C ATOM 921 O LEU A 62 -6.780 -6.009 -1.792 1.00 0.00 O ATOM 922 CB LEU A 62 -4.049 -7.098 -2.225 1.00 0.00 C ATOM 923 CG LEU A 62 -2.901 -8.108 -2.117 1.00 0.00 C ATOM 924 CD1 LEU A 62 -2.491 -8.558 -3.517 1.00 0.00 C ATOM 925 CD2 LEU A 62 -1.702 -7.511 -1.381 1.00 0.00 C ATOM 0 H LEU A 62 -6.125 -8.143 -0.694 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.928 -6.236 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.830 -7.527 -2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.681 -6.209 -2.738 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.247 -8.967 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.675 -9.276 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.342 -9.025 -4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.163 -7.694 -4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.905 -8.253 -1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.343 -6.635 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.002 -7.219 -0.375 1.00 0.00 H new ATOM 937 N PHE A 63 -5.514 -4.369 -0.914 1.00 0.00 N ATOM 938 CA PHE A 63 -6.466 -3.288 -1.145 1.00 0.00 C ATOM 939 C PHE A 63 -5.866 -2.220 -2.069 1.00 0.00 C ATOM 940 O PHE A 63 -4.668 -1.938 -1.953 1.00 0.00 O ATOM 941 CB PHE A 63 -6.863 -2.679 0.200 1.00 0.00 C ATOM 942 CG PHE A 63 -7.706 -3.600 1.057 1.00 0.00 C ATOM 943 CD1 PHE A 63 -7.106 -4.545 1.910 1.00 0.00 C ATOM 944 CD2 PHE A 63 -9.107 -3.537 0.967 1.00 0.00 C ATOM 945 CE1 PHE A 63 -7.903 -5.406 2.681 1.00 0.00 C ATOM 946 CE2 PHE A 63 -9.909 -4.387 1.744 1.00 0.00 C ATOM 947 CZ PHE A 63 -9.303 -5.319 2.600 1.00 0.00 C ATOM 0 H PHE A 63 -4.633 -4.054 -0.508 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.352 -3.688 -1.638 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.960 -2.411 0.749 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.414 -1.756 0.023 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.030 -4.608 1.972 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.570 -2.829 0.295 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.442 -6.132 3.334 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.985 -4.324 1.683 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.917 -5.974 3.201 1.00 0.00 H new ATOM 957 N PRO A 64 -6.678 -1.581 -2.934 1.00 0.00 N ATOM 958 CA PRO A 64 -6.234 -0.548 -3.860 1.00 0.00 C ATOM 959 C PRO A 64 -5.772 0.674 -3.079 1.00 0.00 C ATOM 960 O PRO A 64 -6.584 1.322 -2.418 1.00 0.00 O ATOM 961 CB PRO A 64 -7.437 -0.219 -4.755 1.00 0.00 C ATOM 962 CG PRO A 64 -8.651 -0.676 -3.946 1.00 0.00 C ATOM 963 CD PRO A 64 -8.112 -1.795 -3.059 1.00 0.00 C ATOM 0 HA PRO A 64 -5.391 -0.879 -4.467 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.487 0.847 -4.978 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.376 -0.742 -5.710 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.063 0.139 -3.352 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.451 -1.033 -4.595 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.592 -1.777 -2.080 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.320 -2.771 -3.499 1.00 0.00 H new ATOM 971 N TYR A 65 -4.486 1.014 -3.179 1.00 0.00 N ATOM 972 CA TYR A 65 -3.891 2.117 -2.437 1.00 0.00 C ATOM 973 C TYR A 65 -4.721 3.383 -2.562 1.00 0.00 C ATOM 974 O TYR A 65 -5.103 3.936 -1.537 1.00 0.00 O ATOM 975 CB TYR A 65 -2.471 2.366 -2.921 1.00 0.00 C ATOM 976 CG TYR A 65 -1.789 3.588 -2.351 1.00 0.00 C ATOM 977 CD1 TYR A 65 -1.256 3.564 -1.053 1.00 0.00 C ATOM 978 CD2 TYR A 65 -1.658 4.743 -3.144 1.00 0.00 C ATOM 979 CE1 TYR A 65 -0.585 4.690 -0.542 1.00 0.00 C ATOM 980 CE2 TYR A 65 -0.969 5.860 -2.651 1.00 0.00 C ATOM 981 CZ TYR A 65 -0.420 5.838 -1.349 1.00 0.00 C ATOM 982 OH TYR A 65 0.283 6.904 -0.877 1.00 0.00 O ATOM 0 H TYR A 65 -3.826 0.525 -3.784 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.866 1.839 -1.383 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -1.867 1.491 -2.682 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.487 2.455 -4.007 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.361 2.678 -0.444 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.089 4.769 -4.134 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.197 4.677 0.466 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.858 6.740 -3.268 1.00 0.00 H new ATOM 0 HH TYR A 65 0.303 7.610 -1.557 1.00 0.00 H new ATOM 992 N LYS A 66 -5.054 3.809 -3.786 1.00 0.00 N ATOM 993 CA LYS A 66 -5.748 5.074 -4.001 1.00 0.00 C ATOM 994 C LYS A 66 -7.058 5.153 -3.215 1.00 0.00 C ATOM 995 O LYS A 66 -7.376 6.228 -2.711 1.00 0.00 O ATOM 996 CB LYS A 66 -5.972 5.318 -5.503 1.00 0.00 C ATOM 997 CG LYS A 66 -4.744 5.937 -6.200 1.00 0.00 C ATOM 998 CD LYS A 66 -5.105 6.457 -7.604 1.00 0.00 C ATOM 999 CE LYS A 66 -4.089 7.464 -8.168 1.00 0.00 C ATOM 1000 NZ LYS A 66 -2.868 6.857 -8.740 1.00 0.00 N ATOM 0 H LYS A 66 -4.851 3.291 -4.641 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.110 5.871 -3.619 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.220 4.373 -5.986 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.829 5.978 -5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.353 6.755 -5.595 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.952 5.192 -6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.183 5.611 -8.287 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.088 6.927 -7.566 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.578 8.059 -8.939 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.799 8.150 -7.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.241 7.607 -9.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.374 6.312 -8.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.129 6.224 -9.523 1.00 0.00 H new ATOM 1014 N GLU A 67 -7.804 4.058 -3.056 1.00 0.00 N ATOM 1015 CA GLU A 67 -9.091 4.107 -2.363 1.00 0.00 C ATOM 1016 C GLU A 67 -8.902 4.301 -0.859 1.00 0.00 C ATOM 1017 O GLU A 67 -9.610 5.089 -0.232 1.00 0.00 O ATOM 1018 CB GLU A 67 -9.853 2.805 -2.618 1.00 0.00 C ATOM 1019 CG GLU A 67 -11.380 2.961 -2.505 1.00 0.00 C ATOM 1020 CD GLU A 67 -12.030 1.891 -1.618 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -12.155 0.721 -2.053 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -12.449 2.217 -0.485 1.00 0.00 O ATOM 0 H GLU A 67 -7.541 3.133 -3.395 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.657 4.955 -2.748 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.605 2.436 -3.613 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.518 2.051 -1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.610 3.947 -2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.819 2.914 -3.502 1.00 0.00 H new ATOM 1029 N TYR A 68 -7.926 3.604 -0.281 1.00 0.00 N ATOM 1030 CA TYR A 68 -7.668 3.568 1.153 1.00 0.00 C ATOM 1031 C TYR A 68 -6.522 4.510 1.521 1.00 0.00 C ATOM 1032 O TYR A 68 -5.938 4.361 2.590 1.00 0.00 O ATOM 1033 CB TYR A 68 -7.402 2.131 1.615 1.00 0.00 C ATOM 1034 CG TYR A 68 -8.565 1.184 1.393 1.00 0.00 C ATOM 1035 CD1 TYR A 68 -8.772 0.646 0.119 1.00 0.00 C ATOM 1036 CD2 TYR A 68 -9.455 0.856 2.432 1.00 0.00 C ATOM 1037 CE1 TYR A 68 -9.874 -0.178 -0.140 1.00 0.00 C ATOM 1038 CE2 TYR A 68 -10.545 -0.005 2.193 1.00 0.00 C ATOM 1039 CZ TYR A 68 -10.768 -0.513 0.894 1.00 0.00 C ATOM 1040 OH TYR A 68 -11.832 -1.321 0.625 1.00 0.00 O ATOM 0 H TYR A 68 -7.274 3.031 -0.817 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.556 3.921 1.678 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.529 1.747 1.087 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -7.154 2.142 2.676 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.074 0.869 -0.674 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.302 1.267 3.419 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.039 -0.558 -1.137 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.208 -0.276 3.001 1.00 0.00 H new ATOM 0 HH TYR A 68 -12.353 -1.459 1.443 1.00 0.00 H new ATOM 1050 N LYS A 69 -6.138 5.444 0.649 1.00 0.00 N ATOM 1051 CA LYS A 69 -4.930 6.219 0.820 1.00 0.00 C ATOM 1052 C LYS A 69 -4.999 7.042 2.113 1.00 0.00 C ATOM 1053 O LYS A 69 -4.017 7.102 2.846 1.00 0.00 O ATOM 1054 CB LYS A 69 -4.713 7.030 -0.468 1.00 0.00 C ATOM 1055 CG LYS A 69 -3.551 7.978 -0.261 1.00 0.00 C ATOM 1056 CD LYS A 69 -3.174 8.801 -1.499 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.036 9.780 -1.175 1.00 0.00 C ATOM 1058 NZ LYS A 69 -2.305 10.617 0.017 1.00 0.00 N ATOM 0 H LYS A 69 -6.664 5.677 -0.193 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.050 5.591 0.955 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.510 6.361 -1.305 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.615 7.588 -0.718 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.796 8.661 0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.681 7.403 0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.868 8.134 -2.305 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.045 9.352 -1.854 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.116 9.217 -1.015 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.868 10.428 -2.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.650 11.425 0.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.284 10.966 -0.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.170 10.049 0.878 1.00 0.00 H new ATOM 1072 N ASP A 70 -6.142 7.635 2.447 1.00 0.00 N ATOM 1073 CA ASP A 70 -6.339 8.280 3.746 1.00 0.00 C ATOM 1074 C ASP A 70 -6.517 7.200 4.817 1.00 0.00 C ATOM 1075 O ASP A 70 -5.819 7.194 5.832 1.00 0.00 O ATOM 1076 CB ASP A 70 -7.539 9.233 3.678 1.00 0.00 C ATOM 1077 CG ASP A 70 -7.630 10.159 4.901 1.00 0.00 C ATOM 1078 OD1 ASP A 70 -7.873 9.661 6.025 1.00 0.00 O ATOM 1079 OD2 ASP A 70 -7.593 11.401 4.737 1.00 0.00 O ATOM 0 H ASP A 70 -6.954 7.683 1.831 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.467 8.879 4.011 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.467 9.838 2.774 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.457 8.650 3.599 1.00 0.00 H new ATOM 1084 N LYS A 71 -7.412 6.236 4.564 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.886 5.248 5.534 1.00 0.00 C ATOM 1086 C LYS A 71 -6.772 4.367 6.106 1.00 0.00 C ATOM 1087 O LYS A 71 -6.856 3.968 7.268 1.00 0.00 O ATOM 1088 CB LYS A 71 -9.008 4.424 4.873 1.00 0.00 C ATOM 1089 CG LYS A 71 -9.825 3.627 5.901 1.00 0.00 C ATOM 1090 CD LYS A 71 -11.157 3.070 5.367 1.00 0.00 C ATOM 1091 CE LYS A 71 -12.179 4.175 5.043 1.00 0.00 C ATOM 1092 NZ LYS A 71 -13.576 3.705 5.162 1.00 0.00 N ATOM 0 H LYS A 71 -7.839 6.121 3.645 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.278 5.775 6.404 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.671 5.092 4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.573 3.738 4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.218 2.797 6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.032 4.269 6.758 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.966 2.483 4.468 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.584 2.392 6.106 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.024 5.018 5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.007 4.540 4.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.225 4.485 4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.735 2.918 4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.752 3.381 6.135 1.00 0.00 H new ATOM 1106 N PHE A 72 -5.753 4.050 5.309 1.00 0.00 N ATOM 1107 CA PHE A 72 -4.672 3.119 5.618 1.00 0.00 C ATOM 1108 C PHE A 72 -3.284 3.748 5.447 1.00 0.00 C ATOM 1109 O PHE A 72 -2.336 3.218 6.029 1.00 0.00 O ATOM 1110 CB PHE A 72 -4.769 1.864 4.728 1.00 0.00 C ATOM 1111 CG PHE A 72 -5.960 0.930 4.899 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -6.728 0.903 6.079 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -6.279 0.032 3.860 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -7.819 0.027 6.200 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -7.348 -0.871 3.993 1.00 0.00 C ATOM 1116 CZ PHE A 72 -8.124 -0.871 5.163 1.00 0.00 C ATOM 0 H PHE A 72 -5.655 4.459 4.380 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.790 2.847 6.667 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.756 2.195 3.689 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.864 1.277 4.887 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.476 1.561 6.897 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.695 0.038 2.951 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -8.426 0.044 7.093 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -7.572 -1.564 3.196 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.951 -1.558 5.266 1.00 0.00 H new ATOM 1126 N GLY A 73 -3.108 4.862 4.721 1.00 0.00 N ATOM 1127 CA GLY A 73 -1.802 5.499 4.474 1.00 0.00 C ATOM 1128 C GLY A 73 -1.288 6.317 5.662 1.00 0.00 C ATOM 1129 O GLY A 73 -0.594 7.321 5.497 1.00 0.00 O ATOM 0 H GLY A 73 -3.883 5.356 4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.071 4.728 4.230 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.883 6.149 3.603 1.00 0.00 H new ATOM 1133 N LYS A 74 -1.649 5.896 6.869 1.00 0.00 N ATOM 1134 CA LYS A 74 -1.511 6.610 8.125 1.00 0.00 C ATOM 1135 C LYS A 74 -0.546 5.855 9.021 1.00 0.00 C ATOM 1136 O LYS A 74 -0.349 4.648 8.864 1.00 0.00 O ATOM 1137 CB LYS A 74 -2.884 6.775 8.791 1.00 0.00 C ATOM 1138 CG LYS A 74 -3.626 5.434 8.887 1.00 0.00 C ATOM 1139 CD LYS A 74 -4.732 5.486 9.928 1.00 0.00 C ATOM 1140 CE LYS A 74 -5.282 4.069 10.070 1.00 0.00 C ATOM 1141 NZ LYS A 74 -6.409 4.001 11.010 1.00 0.00 N ATOM 0 H LYS A 74 -2.077 4.979 7.000 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.111 7.608 7.945 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.758 7.195 9.789 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.484 7.484 8.221 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.050 5.181 7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.920 4.643 9.143 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.347 5.847 10.882 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.518 6.175 9.620 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.604 3.707 9.094 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.487 3.405 10.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.749 3.020 11.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.098 4.321 11.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.179 4.613 10.673 1.00 0.00 H new ATOM 1155 N SER A 75 0.026 6.555 9.991 1.00 0.00 N ATOM 1156 CA SER A 75 1.198 6.115 10.696 1.00 0.00 C ATOM 1157 C SER A 75 0.886 5.007 11.709 1.00 0.00 C ATOM 1158 O SER A 75 -0.258 4.736 12.088 1.00 0.00 O ATOM 1159 CB SER A 75 1.861 7.353 11.304 1.00 0.00 C ATOM 1160 OG SER A 75 2.319 8.211 10.263 1.00 0.00 O ATOM 0 H SER A 75 -0.326 7.459 10.307 1.00 0.00 H new ATOM 0 HA SER A 75 1.904 5.642 10.013 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.151 7.883 11.939 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.696 7.056 11.938 1.00 0.00 H new ATOM 0 HG SER A 75 2.742 9.004 10.655 1.00 0.00 H new ATOM 1166 N ASN A 76 1.957 4.350 12.131 1.00 0.00 N ATOM 1167 CA ASN A 76 2.049 3.315 13.163 1.00 0.00 C ATOM 1168 C ASN A 76 3.468 3.347 13.731 1.00 0.00 C ATOM 1169 O ASN A 76 4.395 3.756 13.036 1.00 0.00 O ATOM 1170 CB ASN A 76 1.744 1.917 12.611 1.00 0.00 C ATOM 1171 CG ASN A 76 1.626 0.873 13.722 1.00 0.00 C ATOM 1172 OD1 ASN A 76 1.385 1.178 14.888 1.00 0.00 O ATOM 1173 ND2 ASN A 76 1.835 -0.378 13.396 1.00 0.00 N ATOM 0 H ASN A 76 2.872 4.543 11.724 1.00 0.00 H new ATOM 0 HA ASN A 76 1.307 3.520 13.935 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.815 1.947 12.042 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.532 1.621 11.918 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.798 -1.104 14.111 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.035 -0.626 12.427 1.00 0.00 H new ATOM 1180 N LYS A 77 3.654 2.877 14.964 1.00 0.00 N ATOM 1181 CA LYS A 77 4.899 2.999 15.719 1.00 0.00 C ATOM 1182 C LYS A 77 5.937 1.927 15.365 1.00 0.00 C ATOM 1183 O LYS A 77 6.989 1.865 16.003 1.00 0.00 O ATOM 1184 CB LYS A 77 4.527 3.007 17.211 1.00 0.00 C ATOM 1185 CG LYS A 77 5.595 3.656 18.104 1.00 0.00 C ATOM 1186 CD LYS A 77 4.964 4.339 19.324 1.00 0.00 C ATOM 1187 CE LYS A 77 4.201 5.614 18.927 1.00 0.00 C ATOM 1188 NZ LYS A 77 2.887 5.723 19.593 1.00 0.00 N ATOM 0 H LYS A 77 2.922 2.387 15.479 1.00 0.00 H new ATOM 0 HA LYS A 77 5.399 3.930 15.452 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.584 3.539 17.340 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.362 1.982 17.542 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.304 2.898 18.436 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.159 4.388 17.526 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.283 3.646 19.818 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.742 4.590 20.045 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.804 6.486 19.178 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.058 5.625 17.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.416 6.599 19.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.298 4.906 19.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.021 5.740 20.624 1.00 0.00 H new ATOM 1202 N ARG A 78 5.655 1.041 14.410 1.00 0.00 N ATOM 1203 CA ARG A 78 6.591 0.047 13.889 1.00 0.00 C ATOM 1204 C ARG A 78 7.767 0.773 13.236 1.00 0.00 C ATOM 1205 O ARG A 78 7.549 1.680 12.433 1.00 0.00 O ATOM 1206 CB ARG A 78 5.841 -0.830 12.875 1.00 0.00 C ATOM 1207 CG ARG A 78 5.468 -2.184 13.491 1.00 0.00 C ATOM 1208 CD ARG A 78 6.637 -3.178 13.400 1.00 0.00 C ATOM 1209 NE ARG A 78 7.132 -3.692 14.688 1.00 0.00 N ATOM 1210 CZ ARG A 78 6.679 -4.775 15.334 1.00 0.00 C ATOM 1211 NH1 ARG A 78 5.458 -5.250 15.103 1.00 0.00 N ATOM 1212 NH2 ARG A 78 7.467 -5.377 16.221 1.00 0.00 N ATOM 0 H ARG A 78 4.739 0.995 13.964 1.00 0.00 H new ATOM 0 HA ARG A 78 6.982 -0.588 14.684 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.939 -0.317 12.542 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.463 -0.986 11.993 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.185 -2.046 14.535 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.599 -2.593 12.977 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.326 -4.023 12.786 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.463 -2.694 12.880 1.00 0.00 H new ATOM 0 HE ARG A 78 7.892 -3.175 15.130 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.851 -4.789 14.425 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.129 -6.076 15.604 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.403 -5.013 16.402 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.135 -6.202 16.720 1.00 0.00 H new ATOM 1226 N LYS A 79 9.003 0.354 13.522 1.00 0.00 N ATOM 1227 CA LYS A 79 10.142 0.697 12.662 1.00 0.00 C ATOM 1228 C LYS A 79 9.899 0.092 11.278 1.00 0.00 C ATOM 1229 O LYS A 79 9.071 -0.815 11.137 1.00 0.00 O ATOM 1230 CB LYS A 79 11.457 0.201 13.299 1.00 0.00 C ATOM 1231 CG LYS A 79 12.548 1.283 13.312 1.00 0.00 C ATOM 1232 CD LYS A 79 13.831 0.764 13.981 1.00 0.00 C ATOM 1233 CE LYS A 79 14.841 1.878 14.285 1.00 0.00 C ATOM 1234 NZ LYS A 79 15.406 2.505 13.074 1.00 0.00 N ATOM 0 H LYS A 79 9.240 -0.217 14.333 1.00 0.00 H new ATOM 0 HA LYS A 79 10.236 1.778 12.555 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.262 -0.126 14.320 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.818 -0.668 12.749 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.767 1.596 12.291 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.186 2.163 13.844 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.570 0.255 14.909 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.299 0.024 13.332 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.354 2.644 14.888 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.653 1.468 14.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.080 3.248 13.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.898 1.785 12.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.639 2.925 12.511 1.00 0.00 H new ATOM 1248 N GLY A 80 10.595 0.551 10.241 1.00 0.00 N ATOM 1249 CA GLY A 80 10.361 0.116 8.866 1.00 0.00 C ATOM 1250 C GLY A 80 9.142 0.804 8.276 1.00 0.00 C ATOM 1251 O GLY A 80 9.193 1.296 7.151 1.00 0.00 O ATOM 0 H GLY A 80 11.342 1.240 10.331 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.238 0.337 8.257 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.220 -0.965 8.842 1.00 0.00 H new ATOM 1255 N PHE A 81 8.042 0.850 9.023 1.00 0.00 N ATOM 1256 CA PHE A 81 6.761 1.323 8.540 1.00 0.00 C ATOM 1257 C PHE A 81 6.876 2.729 7.956 1.00 0.00 C ATOM 1258 O PHE A 81 6.526 2.929 6.801 1.00 0.00 O ATOM 1259 CB PHE A 81 5.761 1.255 9.691 1.00 0.00 C ATOM 1260 CG PHE A 81 4.326 1.431 9.268 1.00 0.00 C ATOM 1261 CD1 PHE A 81 3.706 0.454 8.467 1.00 0.00 C ATOM 1262 CD2 PHE A 81 3.602 2.560 9.682 1.00 0.00 C ATOM 1263 CE1 PHE A 81 2.343 0.566 8.147 1.00 0.00 C ATOM 1264 CE2 PHE A 81 2.256 2.689 9.311 1.00 0.00 C ATOM 1265 CZ PHE A 81 1.618 1.688 8.568 1.00 0.00 C ATOM 0 H PHE A 81 8.023 0.552 9.998 1.00 0.00 H new ATOM 0 HA PHE A 81 6.410 0.689 7.726 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.866 0.293 10.193 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.011 2.025 10.421 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.279 -0.383 8.098 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.077 3.323 10.281 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.855 -0.211 7.578 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.705 3.571 9.602 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.571 1.781 8.321 1.00 0.00 H new ATOM 1275 N ASN A 82 7.399 3.689 8.725 1.00 0.00 N ATOM 1276 CA ASN A 82 7.562 5.075 8.277 1.00 0.00 C ATOM 1277 C ASN A 82 8.350 5.146 6.957 1.00 0.00 C ATOM 1278 O ASN A 82 7.985 5.937 6.094 1.00 0.00 O ATOM 1279 CB ASN A 82 8.326 5.886 9.353 1.00 0.00 C ATOM 1280 CG ASN A 82 7.532 6.732 10.343 1.00 0.00 C ATOM 1281 OD1 ASN A 82 8.110 7.540 11.064 1.00 0.00 O ATOM 1282 ND2 ASN A 82 6.225 6.592 10.460 1.00 0.00 N ATOM 0 H ASN A 82 7.722 3.526 9.679 1.00 0.00 H new ATOM 0 HA ASN A 82 6.568 5.493 8.118 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.928 5.183 9.929 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.019 6.549 8.835 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.711 7.151 11.141 1.00 0.00 H new ATOM 0 HD22 ASN A 82 5.729 5.925 9.869 1.00 0.00 H new ATOM 1289 N GLU A 83 9.394 4.325 6.784 1.00 0.00 N ATOM 1290 CA GLU A 83 10.174 4.252 5.543 1.00 0.00 C ATOM 1291 C GLU A 83 9.287 3.793 4.385 1.00 0.00 C ATOM 1292 O GLU A 83 9.312 4.384 3.310 1.00 0.00 O ATOM 1293 CB GLU A 83 11.388 3.313 5.722 1.00 0.00 C ATOM 1294 CG GLU A 83 12.661 4.008 6.226 1.00 0.00 C ATOM 1295 CD GLU A 83 13.382 4.867 5.178 1.00 0.00 C ATOM 1296 OE1 GLU A 83 12.747 5.466 4.292 1.00 0.00 O ATOM 1297 OE2 GLU A 83 14.637 4.977 5.269 1.00 0.00 O ATOM 0 H GLU A 83 9.723 3.687 7.509 1.00 0.00 H new ATOM 0 HA GLU A 83 10.552 5.247 5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.119 2.522 6.422 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.605 2.834 4.767 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.402 4.639 7.076 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.352 3.249 6.591 1.00 0.00 H new ATOM 1304 N GLY A 84 8.445 2.783 4.609 1.00 0.00 N ATOM 1305 CA GLY A 84 7.543 2.284 3.583 1.00 0.00 C ATOM 1306 C GLY A 84 6.469 3.304 3.206 1.00 0.00 C ATOM 1307 O GLY A 84 6.038 3.347 2.053 1.00 0.00 O ATOM 0 H GLY A 84 8.373 2.294 5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.117 2.020 2.695 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.065 1.370 3.936 1.00 0.00 H new ATOM 1311 N LEU A 85 6.020 4.125 4.161 1.00 0.00 N ATOM 1312 CA LEU A 85 5.055 5.187 3.920 1.00 0.00 C ATOM 1313 C LEU A 85 5.690 6.395 3.230 1.00 0.00 C ATOM 1314 O LEU A 85 4.969 7.152 2.575 1.00 0.00 O ATOM 1315 CB LEU A 85 4.416 5.620 5.244 1.00 0.00 C ATOM 1316 CG LEU A 85 3.270 4.720 5.726 1.00 0.00 C ATOM 1317 CD1 LEU A 85 2.049 4.727 4.796 1.00 0.00 C ATOM 1318 CD2 LEU A 85 3.658 3.341 6.243 1.00 0.00 C ATOM 0 H LEU A 85 6.324 4.065 5.133 1.00 0.00 H new ATOM 0 HA LEU A 85 4.290 4.791 3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.188 5.646 6.013 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.040 6.637 5.135 1.00 0.00 H new ATOM 0 HG LEU A 85 2.945 5.216 6.641 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.280 4.069 5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.656 5.741 4.720 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.343 4.376 3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.762 2.803 6.553 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.160 2.784 5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.330 3.448 7.095 1.00 0.00 H new ATOM 1330 N TRP A 86 7.002 6.590 3.376 1.00 0.00 N ATOM 1331 CA TRP A 86 7.760 7.510 2.545 1.00 0.00 C ATOM 1332 C TRP A 86 7.815 6.941 1.129 1.00 0.00 C ATOM 1333 O TRP A 86 7.414 7.637 0.198 1.00 0.00 O ATOM 1334 CB TRP A 86 9.126 7.806 3.183 1.00 0.00 C ATOM 1335 CG TRP A 86 9.936 8.815 2.434 1.00 0.00 C ATOM 1336 CD1 TRP A 86 10.025 10.140 2.678 1.00 0.00 C ATOM 1337 CD2 TRP A 86 10.721 8.586 1.236 1.00 0.00 C ATOM 1338 NE1 TRP A 86 10.805 10.731 1.699 1.00 0.00 N ATOM 1339 CE2 TRP A 86 11.250 9.817 0.767 1.00 0.00 C ATOM 1340 CE3 TRP A 86 11.001 7.434 0.494 1.00 0.00 C ATOM 1341 CZ2 TRP A 86 12.002 9.905 -0.416 1.00 0.00 C ATOM 1342 CZ3 TRP A 86 11.743 7.499 -0.698 1.00 0.00 C ATOM 1343 CH2 TRP A 86 12.245 8.734 -1.156 1.00 0.00 C ATOM 0 H TRP A 86 7.565 6.110 4.078 1.00 0.00 H new ATOM 0 HA TRP A 86 7.277 8.484 2.473 1.00 0.00 H new ATOM 0 HB2 TRP A 86 8.971 8.162 4.202 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.693 6.878 3.252 1.00 0.00 H new ATOM 0 HD1 TRP A 86 9.561 10.657 3.505 1.00 0.00 H new ATOM 0 HE1 TRP A 86 11.025 11.727 1.670 1.00 0.00 H new ATOM 0 HE3 TRP A 86 10.641 6.478 0.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 12.387 10.856 -0.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 11.929 6.599 -1.265 1.00 0.00 H new ATOM 0 HH2 TRP A 86 12.815 8.781 -2.072 1.00 0.00 H new ATOM 1354 N GLU A 87 8.241 5.685 0.960 1.00 0.00 N ATOM 1355 CA GLU A 87 8.443 5.076 -0.352 1.00 0.00 C ATOM 1356 C GLU A 87 7.171 5.130 -1.185 1.00 0.00 C ATOM 1357 O GLU A 87 7.205 5.660 -2.287 1.00 0.00 O ATOM 1358 CB GLU A 87 8.917 3.634 -0.230 1.00 0.00 C ATOM 1359 CG GLU A 87 10.440 3.519 -0.164 1.00 0.00 C ATOM 1360 CD GLU A 87 11.132 3.354 -1.522 1.00 0.00 C ATOM 1361 OE1 GLU A 87 10.846 4.120 -2.468 1.00 0.00 O ATOM 1362 OE2 GLU A 87 12.048 2.491 -1.634 1.00 0.00 O ATOM 0 H GLU A 87 8.456 5.061 1.737 1.00 0.00 H new ATOM 0 HA GLU A 87 9.218 5.654 -0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.484 3.188 0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.550 3.061 -1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.837 4.409 0.324 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.699 2.668 0.466 1.00 0.00 H new ATOM 1369 N ILE A 88 6.050 4.617 -0.667 1.00 0.00 N ATOM 1370 CA ILE A 88 4.824 4.477 -1.450 1.00 0.00 C ATOM 1371 C ILE A 88 4.341 5.830 -2.000 1.00 0.00 C ATOM 1372 O ILE A 88 3.866 5.904 -3.131 1.00 0.00 O ATOM 1373 CB ILE A 88 3.762 3.726 -0.615 1.00 0.00 C ATOM 1374 CG1 ILE A 88 2.598 3.267 -1.512 1.00 0.00 C ATOM 1375 CG2 ILE A 88 3.248 4.555 0.575 1.00 0.00 C ATOM 1376 CD1 ILE A 88 1.728 2.186 -0.861 1.00 0.00 C ATOM 0 H ILE A 88 5.970 4.291 0.296 1.00 0.00 H new ATOM 0 HA ILE A 88 5.024 3.874 -2.336 1.00 0.00 H new ATOM 0 HB ILE A 88 4.249 2.847 -0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.975 4.127 -1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.999 2.886 -2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.505 3.979 1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.080 4.799 1.235 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.794 5.476 0.208 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.926 1.905 -1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.339 1.311 -0.640 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.300 2.572 0.064 1.00 0.00 H new ATOM 1388 N GLU A 89 4.507 6.905 -1.226 1.00 0.00 N ATOM 1389 CA GLU A 89 4.203 8.266 -1.637 1.00 0.00 C ATOM 1390 C GLU A 89 5.176 8.726 -2.722 1.00 0.00 C ATOM 1391 O GLU A 89 4.754 9.274 -3.745 1.00 0.00 O ATOM 1392 CB GLU A 89 4.280 9.190 -0.407 1.00 0.00 C ATOM 1393 CG GLU A 89 2.941 9.260 0.341 1.00 0.00 C ATOM 1394 CD GLU A 89 1.881 10.110 -0.366 1.00 0.00 C ATOM 1395 OE1 GLU A 89 2.056 10.563 -1.516 1.00 0.00 O ATOM 1396 OE2 GLU A 89 0.802 10.338 0.239 1.00 0.00 O ATOM 0 H GLU A 89 4.866 6.845 -0.273 1.00 0.00 H new ATOM 0 HA GLU A 89 3.197 8.306 -2.054 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.055 8.830 0.269 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.572 10.191 -0.723 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.555 8.249 0.471 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.113 9.666 1.338 1.00 0.00 H new ATOM 1403 N ASN A 90 6.472 8.521 -2.493 1.00 0.00 N ATOM 1404 CA ASN A 90 7.562 9.008 -3.332 1.00 0.00 C ATOM 1405 C ASN A 90 7.831 8.099 -4.538 1.00 0.00 C ATOM 1406 O ASN A 90 8.729 8.407 -5.319 1.00 0.00 O ATOM 1407 CB ASN A 90 8.828 9.197 -2.476 1.00 0.00 C ATOM 1408 CG ASN A 90 8.721 10.428 -1.586 1.00 0.00 C ATOM 1409 OD1 ASN A 90 9.148 11.520 -1.960 1.00 0.00 O ATOM 1410 ND2 ASN A 90 8.130 10.304 -0.412 1.00 0.00 N ATOM 0 H ASN A 90 6.803 7.991 -1.687 1.00 0.00 H new ATOM 0 HA ASN A 90 7.262 9.971 -3.745 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.986 8.313 -1.858 1.00 0.00 H new ATOM 0 HB3 ASN A 90 9.698 9.291 -3.126 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.024 11.118 0.194 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.779 9.395 -0.111 1.00 0.00 H new ATOM 1417 N SER A 91 7.087 7.004 -4.702 1.00 0.00 N ATOM 1418 CA SER A 91 7.282 5.973 -5.711 1.00 0.00 C ATOM 1419 C SER A 91 7.124 6.566 -7.117 1.00 0.00 C ATOM 1420 O SER A 91 8.045 6.504 -7.934 1.00 0.00 O ATOM 1421 CB SER A 91 6.295 4.829 -5.404 1.00 0.00 C ATOM 1422 OG SER A 91 6.548 3.669 -6.167 1.00 0.00 O ATOM 0 H SER A 91 6.289 6.806 -4.098 1.00 0.00 H new ATOM 0 HA SER A 91 8.293 5.566 -5.683 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.352 4.581 -4.344 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.278 5.171 -5.597 1.00 0.00 H new ATOM 0 HG SER A 91 5.897 2.975 -5.933 1.00 0.00 H new ATOM 1428 N GLY A 92 5.966 7.158 -7.420 1.00 0.00 N ATOM 1429 CA GLY A 92 5.709 7.851 -8.679 1.00 0.00 C ATOM 1430 C GLY A 92 4.862 9.086 -8.402 1.00 0.00 C ATOM 1431 O GLY A 92 3.676 9.090 -8.729 1.00 0.00 O ATOM 0 H GLY A 92 5.168 7.168 -6.784 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.649 8.137 -9.150 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.193 7.189 -9.375 1.00 0.00 H new ATOM 1435 N PRO A 93 5.403 10.107 -7.723 1.00 0.00 N ATOM 1436 CA PRO A 93 4.616 11.208 -7.204 1.00 0.00 C ATOM 1437 C PRO A 93 4.111 12.040 -8.384 1.00 0.00 C ATOM 1438 O PRO A 93 4.923 12.621 -9.114 1.00 0.00 O ATOM 1439 CB PRO A 93 5.552 11.931 -6.235 1.00 0.00 C ATOM 1440 CG PRO A 93 6.951 11.666 -6.786 1.00 0.00 C ATOM 1441 CD PRO A 93 6.812 10.283 -7.414 1.00 0.00 C ATOM 0 HA PRO A 93 3.713 10.927 -6.662 1.00 0.00 H new ATOM 0 HB2 PRO A 93 5.336 12.999 -6.197 1.00 0.00 H new ATOM 0 HB3 PRO A 93 5.446 11.548 -5.220 1.00 0.00 H new ATOM 0 HG2 PRO A 93 7.245 12.416 -7.521 1.00 0.00 H new ATOM 0 HG3 PRO A 93 7.705 11.679 -5.999 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.419 10.204 -8.316 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.158 9.510 -6.728 1.00 0.00 H new ATOM 1449 N SER A 94 2.790 12.040 -8.601 1.00 0.00 N ATOM 1450 CA SER A 94 2.059 12.532 -9.772 1.00 0.00 C ATOM 1451 C SER A 94 2.316 11.684 -11.033 1.00 0.00 C ATOM 1452 O SER A 94 1.390 11.373 -11.780 1.00 0.00 O ATOM 1453 CB SER A 94 2.352 14.029 -9.972 1.00 0.00 C ATOM 1454 OG SER A 94 1.497 14.621 -10.930 1.00 0.00 O ATOM 0 H SER A 94 2.152 11.663 -7.900 1.00 0.00 H new ATOM 0 HA SER A 94 0.991 12.423 -9.586 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.242 14.549 -9.020 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.388 14.155 -10.286 1.00 0.00 H new ATOM 0 HG SER A 94 1.718 15.571 -11.023 1.00 0.00 H new ATOM 1460 N SER A 95 3.558 11.276 -11.267 1.00 0.00 N ATOM 1461 CA SER A 95 4.017 10.578 -12.458 1.00 0.00 C ATOM 1462 C SER A 95 3.674 9.071 -12.436 1.00 0.00 C ATOM 1463 O SER A 95 4.285 8.293 -13.173 1.00 0.00 O ATOM 1464 CB SER A 95 5.517 10.894 -12.570 1.00 0.00 C ATOM 1465 OG SER A 95 6.012 10.930 -13.895 1.00 0.00 O ATOM 0 H SER A 95 4.309 11.432 -10.595 1.00 0.00 H new ATOM 0 HA SER A 95 3.500 10.920 -13.355 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.709 11.858 -12.098 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.076 10.146 -12.007 1.00 0.00 H new ATOM 0 HG SER A 95 6.970 11.138 -13.881 1.00 0.00 H new ATOM 1471 N GLY A 96 2.724 8.622 -11.607 1.00 0.00 N ATOM 1472 CA GLY A 96 2.339 7.224 -11.480 1.00 0.00 C ATOM 1473 C GLY A 96 1.210 7.080 -10.482 1.00 0.00 C ATOM 1474 O GLY A 96 0.208 7.812 -10.603 1.00 0.00 O ATOM 0 H GLY A 96 2.193 9.241 -10.994 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.028 6.836 -12.450 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.196 6.631 -11.159 1.00 0.00 H new TER 1478 GLY A 96