USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 729 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+ -112:sc= 0.0438 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 8 ASN : amide:sc= -0.0553 K(o=-0.055,f=-1) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -57:sc= 0.0351 USER MOD Single : A 15 SER OG : rot 158:sc= 0.306 USER MOD Single : A 16 LYS NZ :NH3+ -150:sc= 0.0228 (180deg=-0.00165) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.77 USER MOD Single : A 22 ASN : amide:sc= -0.217 X(o=-0.22,f=-0.04) USER MOD Single : A 24 SER OG : rot 176:sc= -0.504 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.318 X(o=-0.32,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -112:sc= 1.08 (180deg=-0.828) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -4.14! C(o=-4.1!,f=-11!) USER MOD Single : A 47 ASN : amide:sc= -3.71! K(o=-3.7!,f=-2.4) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -3.56 K(o=-3.6,f=-8.6!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 8:sc= 0.886 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.968 USER MOD Single : A 62 SER OG : rot 48:sc= 1.25 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -2.28 K(o=-2.3,f=-0.9) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot -174:sc= -2.9! USER MOD Single : A 74 ASN : amide:sc= -0.248 X(o=-0.25,f=-0.72) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.716 K(o=-0.72,f=-0.22) USER MOD Single : A 93 SER OG : rot -57:sc= 0.00785 USER MOD Single : A 95 ASN : amide:sc= -0.355 K(o=-0.36,f=-2.6!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.755 7.955 -16.067 1.00 0.00 N ATOM 2 CA GLY A 1 -30.013 8.795 -14.912 1.00 0.00 C ATOM 3 C GLY A 1 -29.005 8.578 -13.801 1.00 0.00 C ATOM 4 O GLY A 1 -28.404 7.509 -13.698 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.455 8.548 -16.867 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.003 7.274 -15.840 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.622 7.441 -16.323 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.994 9.842 -15.216 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.015 8.591 -14.534 1.00 0.00 H new ATOM 8 N SER A 2 -28.816 9.597 -12.968 1.00 0.00 N ATOM 9 CA SER A 2 -27.869 9.515 -11.862 1.00 0.00 C ATOM 10 C SER A 2 -28.269 10.461 -10.734 1.00 0.00 C ATOM 11 O SER A 2 -29.242 11.207 -10.849 1.00 0.00 O ATOM 12 CB SER A 2 -26.457 9.849 -12.346 1.00 0.00 C ATOM 13 OG SER A 2 -26.431 11.094 -13.023 1.00 0.00 O ATOM 0 H SER A 2 -29.306 10.489 -13.038 1.00 0.00 H new ATOM 0 HA SER A 2 -27.882 8.494 -11.479 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.775 9.879 -11.496 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.102 9.062 -13.011 1.00 0.00 H new ATOM 0 HG SER A 2 -25.517 11.285 -13.321 1.00 0.00 H new ATOM 19 N SER A 3 -27.511 10.424 -9.642 1.00 0.00 N ATOM 20 CA SER A 3 -27.787 11.274 -8.490 1.00 0.00 C ATOM 21 C SER A 3 -26.908 12.521 -8.513 1.00 0.00 C ATOM 22 O SER A 3 -27.400 13.643 -8.398 1.00 0.00 O ATOM 23 CB SER A 3 -27.559 10.499 -7.191 1.00 0.00 C ATOM 24 OG SER A 3 -28.513 9.462 -7.042 1.00 0.00 O ATOM 0 H SER A 3 -26.701 9.814 -9.531 1.00 0.00 H new ATOM 0 HA SER A 3 -28.831 11.585 -8.540 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.554 10.076 -7.188 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.621 11.180 -6.342 1.00 0.00 H new ATOM 0 HG SER A 3 -28.345 8.981 -6.205 1.00 0.00 H new ATOM 30 N GLY A 4 -25.603 12.315 -8.661 1.00 0.00 N ATOM 31 CA GLY A 4 -24.675 13.431 -8.696 1.00 0.00 C ATOM 32 C GLY A 4 -23.230 12.980 -8.772 1.00 0.00 C ATOM 33 O GLY A 4 -22.944 11.784 -8.748 1.00 0.00 O ATOM 0 H GLY A 4 -25.172 11.396 -8.757 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.902 14.061 -9.556 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.815 14.044 -7.806 1.00 0.00 H new ATOM 37 N SER A 5 -22.317 13.942 -8.865 1.00 0.00 N ATOM 38 CA SER A 5 -20.893 13.637 -8.951 1.00 0.00 C ATOM 39 C SER A 5 -20.371 13.098 -7.623 1.00 0.00 C ATOM 40 O SER A 5 -20.586 13.698 -6.570 1.00 0.00 O ATOM 41 CB SER A 5 -20.106 14.887 -9.352 1.00 0.00 C ATOM 42 OG SER A 5 -20.218 15.136 -10.743 1.00 0.00 O ATOM 0 H SER A 5 -22.537 14.938 -8.883 1.00 0.00 H new ATOM 0 HA SER A 5 -20.756 12.870 -9.713 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.476 15.748 -8.794 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.057 14.761 -9.085 1.00 0.00 H new ATOM 0 HG SER A 5 -19.708 15.940 -10.973 1.00 0.00 H new ATOM 48 N SER A 6 -19.685 11.962 -7.681 1.00 0.00 N ATOM 49 CA SER A 6 -19.135 11.338 -6.483 1.00 0.00 C ATOM 50 C SER A 6 -18.147 10.235 -6.849 1.00 0.00 C ATOM 51 O SER A 6 -18.325 9.531 -7.842 1.00 0.00 O ATOM 52 CB SER A 6 -20.260 10.765 -5.619 1.00 0.00 C ATOM 53 OG SER A 6 -20.817 9.604 -6.211 1.00 0.00 O ATOM 0 H SER A 6 -19.496 11.454 -8.545 1.00 0.00 H new ATOM 0 HA SER A 6 -18.604 12.103 -5.916 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.875 10.523 -4.629 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.038 11.517 -5.484 1.00 0.00 H new ATOM 0 HG SER A 6 -21.532 9.256 -5.639 1.00 0.00 H new ATOM 59 N GLY A 7 -17.103 10.092 -6.039 1.00 0.00 N ATOM 60 CA GLY A 7 -16.100 9.074 -6.293 1.00 0.00 C ATOM 61 C GLY A 7 -14.778 9.380 -5.618 1.00 0.00 C ATOM 62 O GLY A 7 -14.128 8.486 -5.078 1.00 0.00 O ATOM 0 H GLY A 7 -16.934 10.663 -5.211 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.469 8.110 -5.942 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.943 8.983 -7.368 1.00 0.00 H new ATOM 66 N ASN A 8 -14.379 10.647 -5.649 1.00 0.00 N ATOM 67 CA ASN A 8 -13.124 11.068 -5.037 1.00 0.00 C ATOM 68 C ASN A 8 -13.367 12.147 -3.986 1.00 0.00 C ATOM 69 O ASN A 8 -13.544 13.320 -4.315 1.00 0.00 O ATOM 70 CB ASN A 8 -12.161 11.589 -6.106 1.00 0.00 C ATOM 71 CG ASN A 8 -11.460 10.468 -6.849 1.00 0.00 C ATOM 72 OD1 ASN A 8 -11.140 9.429 -6.270 1.00 0.00 O ATOM 73 ND2 ASN A 8 -11.219 10.673 -8.139 1.00 0.00 N ATOM 0 H ASN A 8 -14.906 11.400 -6.091 1.00 0.00 H new ATOM 0 HA ASN A 8 -12.679 10.202 -4.547 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -12.711 12.204 -6.818 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -11.416 12.232 -5.638 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -10.751 9.954 -8.691 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -11.502 11.549 -8.578 1.00 0.00 H new ATOM 80 N SER A 9 -13.372 11.742 -2.720 1.00 0.00 N ATOM 81 CA SER A 9 -13.596 12.672 -1.620 1.00 0.00 C ATOM 82 C SER A 9 -12.310 13.414 -1.266 1.00 0.00 C ATOM 83 O SER A 9 -11.276 12.798 -1.006 1.00 0.00 O ATOM 84 CB SER A 9 -14.123 11.927 -0.393 1.00 0.00 C ATOM 85 OG SER A 9 -15.496 11.610 -0.540 1.00 0.00 O ATOM 0 H SER A 9 -13.223 10.775 -2.431 1.00 0.00 H new ATOM 0 HA SER A 9 -14.340 13.402 -1.939 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.549 11.012 -0.245 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.981 12.540 0.497 1.00 0.00 H new ATOM 0 HG SER A 9 -15.809 11.133 0.257 1.00 0.00 H new ATOM 91 N THR A 10 -12.383 14.741 -1.258 1.00 0.00 N ATOM 92 CA THR A 10 -11.226 15.568 -0.937 1.00 0.00 C ATOM 93 C THR A 10 -11.502 16.453 0.274 1.00 0.00 C ATOM 94 O THR A 10 -12.536 17.117 0.346 1.00 0.00 O ATOM 95 CB THR A 10 -10.824 16.458 -2.128 1.00 0.00 C ATOM 96 OG1 THR A 10 -10.637 15.654 -3.298 1.00 0.00 O ATOM 97 CG2 THR A 10 -9.545 17.224 -1.823 1.00 0.00 C ATOM 0 H THR A 10 -13.231 15.266 -1.470 1.00 0.00 H new ATOM 0 HA THR A 10 -10.405 14.888 -0.708 1.00 0.00 H new ATOM 0 HB THR A 10 -11.625 17.176 -2.305 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.383 16.227 -4.052 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.280 17.846 -2.678 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.699 17.856 -0.949 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.738 16.519 -1.623 1.00 0.00 H new ATOM 105 N TRP A 11 -10.572 16.458 1.221 1.00 0.00 N ATOM 106 CA TRP A 11 -10.715 17.263 2.429 1.00 0.00 C ATOM 107 C TRP A 11 -9.876 18.533 2.339 1.00 0.00 C ATOM 108 O TRP A 11 -9.001 18.651 1.481 1.00 0.00 O ATOM 109 CB TRP A 11 -10.305 16.452 3.659 1.00 0.00 C ATOM 110 CG TRP A 11 -8.822 16.400 3.869 1.00 0.00 C ATOM 111 CD1 TRP A 11 -7.859 16.329 2.903 1.00 0.00 C ATOM 112 CD2 TRP A 11 -8.133 16.413 5.125 1.00 0.00 C ATOM 113 NE1 TRP A 11 -6.613 16.298 3.483 1.00 0.00 N ATOM 114 CE2 TRP A 11 -6.754 16.349 4.844 1.00 0.00 C ATOM 115 CE3 TRP A 11 -8.547 16.476 6.458 1.00 0.00 C ATOM 116 CZ2 TRP A 11 -5.790 16.344 5.848 1.00 0.00 C ATOM 117 CZ3 TRP A 11 -7.589 16.470 7.454 1.00 0.00 C ATOM 118 CH2 TRP A 11 -6.224 16.405 7.145 1.00 0.00 C ATOM 0 H TRP A 11 -9.710 15.914 1.176 1.00 0.00 H new ATOM 0 HA TRP A 11 -11.763 17.548 2.524 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -10.775 16.883 4.543 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -10.686 15.436 3.559 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -8.048 16.301 1.840 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.727 16.245 2.981 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -9.597 16.528 6.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.737 16.294 5.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -7.898 16.516 8.488 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -5.500 16.403 7.946 1.00 0.00 H new ATOM 129 N SER A 12 -10.147 19.480 3.231 1.00 0.00 N ATOM 130 CA SER A 12 -9.419 20.744 3.250 1.00 0.00 C ATOM 131 C SER A 12 -8.194 20.651 4.155 1.00 0.00 C ATOM 132 O SER A 12 -7.952 21.529 4.983 1.00 0.00 O ATOM 133 CB SER A 12 -10.332 21.876 3.722 1.00 0.00 C ATOM 134 OG SER A 12 -9.793 23.142 3.381 1.00 0.00 O ATOM 0 H SER A 12 -10.865 19.396 3.950 1.00 0.00 H new ATOM 0 HA SER A 12 -9.084 20.958 2.235 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.318 21.764 3.271 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.466 21.813 4.802 1.00 0.00 H new ATOM 0 HG SER A 12 -8.899 23.233 3.772 1.00 0.00 H new ATOM 140 N GLY A 13 -7.424 19.580 3.991 1.00 0.00 N ATOM 141 CA GLY A 13 -6.234 19.391 4.799 1.00 0.00 C ATOM 142 C GLY A 13 -5.070 18.839 3.999 1.00 0.00 C ATOM 143 O GLY A 13 -5.203 18.570 2.806 1.00 0.00 O ATOM 0 H GLY A 13 -7.603 18.840 3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.946 20.344 5.244 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.461 18.711 5.620 1.00 0.00 H new ATOM 147 N GLU A 14 -3.927 18.673 4.657 1.00 0.00 N ATOM 148 CA GLU A 14 -2.736 18.152 3.997 1.00 0.00 C ATOM 149 C GLU A 14 -2.025 17.133 4.883 1.00 0.00 C ATOM 150 O GLU A 14 -1.583 17.454 5.986 1.00 0.00 O ATOM 151 CB GLU A 14 -1.779 19.294 3.647 1.00 0.00 C ATOM 152 CG GLU A 14 -1.236 20.028 4.862 1.00 0.00 C ATOM 153 CD GLU A 14 -0.724 21.414 4.526 1.00 0.00 C ATOM 154 OE1 GLU A 14 -0.207 21.599 3.404 1.00 0.00 O ATOM 155 OE2 GLU A 14 -0.839 22.314 5.384 1.00 0.00 O ATOM 0 H GLU A 14 -3.801 18.891 5.645 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.049 17.655 3.079 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.944 18.894 3.072 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.296 20.006 3.004 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.021 20.107 5.614 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.429 19.444 5.304 1.00 0.00 H new ATOM 162 N SER A 15 -1.920 15.902 4.391 1.00 0.00 N ATOM 163 CA SER A 15 -1.268 14.833 5.139 1.00 0.00 C ATOM 164 C SER A 15 -0.576 13.855 4.195 1.00 0.00 C ATOM 165 O SER A 15 -1.211 13.256 3.327 1.00 0.00 O ATOM 166 CB SER A 15 -2.288 14.091 6.004 1.00 0.00 C ATOM 167 OG SER A 15 -1.652 13.143 6.843 1.00 0.00 O ATOM 0 H SER A 15 -2.278 15.621 3.478 1.00 0.00 H new ATOM 0 HA SER A 15 -0.514 15.282 5.785 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.842 14.806 6.612 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.013 13.587 5.365 1.00 0.00 H new ATOM 0 HG SER A 15 -2.234 12.936 7.604 1.00 0.00 H new ATOM 173 N LYS A 16 0.731 13.696 4.372 1.00 0.00 N ATOM 174 CA LYS A 16 1.512 12.790 3.539 1.00 0.00 C ATOM 175 C LYS A 16 1.440 11.362 4.071 1.00 0.00 C ATOM 176 O LYS A 16 1.782 10.409 3.371 1.00 0.00 O ATOM 177 CB LYS A 16 2.971 13.249 3.478 1.00 0.00 C ATOM 178 CG LYS A 16 3.642 13.324 4.839 1.00 0.00 C ATOM 179 CD LYS A 16 4.289 12.001 5.214 1.00 0.00 C ATOM 180 CE LYS A 16 5.142 12.134 6.467 1.00 0.00 C ATOM 181 NZ LYS A 16 6.550 12.495 6.145 1.00 0.00 N ATOM 0 H LYS A 16 1.272 14.184 5.086 1.00 0.00 H new ATOM 0 HA LYS A 16 1.090 12.807 2.534 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.532 12.564 2.843 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.015 14.230 3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.397 14.110 4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.905 13.597 5.595 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.516 11.250 5.377 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.907 11.649 4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.713 12.894 7.119 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.125 11.194 7.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.184 12.101 6.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.804 12.107 5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.647 13.530 6.126 1.00 0.00 H new ATOM 195 N THR A 17 0.990 11.221 5.314 1.00 0.00 N ATOM 196 CA THR A 17 0.871 9.910 5.940 1.00 0.00 C ATOM 197 C THR A 17 -0.478 9.273 5.629 1.00 0.00 C ATOM 198 O THR A 17 -1.525 9.789 6.023 1.00 0.00 O ATOM 199 CB THR A 17 1.045 10.000 7.468 1.00 0.00 C ATOM 200 OG1 THR A 17 2.301 10.611 7.783 1.00 0.00 O ATOM 201 CG2 THR A 17 0.974 8.619 8.102 1.00 0.00 C ATOM 0 H THR A 17 0.702 11.999 5.907 1.00 0.00 H new ATOM 0 HA THR A 17 1.666 9.289 5.528 1.00 0.00 H new ATOM 0 HB THR A 17 0.235 10.609 7.869 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.403 10.666 8.756 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.099 8.707 9.181 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.006 8.168 7.885 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.766 7.991 7.695 1.00 0.00 H new ATOM 209 N LEU A 18 -0.447 8.149 4.922 1.00 0.00 N ATOM 210 CA LEU A 18 -1.669 7.439 4.560 1.00 0.00 C ATOM 211 C LEU A 18 -1.949 6.301 5.536 1.00 0.00 C ATOM 212 O LEU A 18 -1.026 5.659 6.038 1.00 0.00 O ATOM 213 CB LEU A 18 -1.561 6.890 3.136 1.00 0.00 C ATOM 214 CG LEU A 18 -0.951 7.833 2.098 1.00 0.00 C ATOM 215 CD1 LEU A 18 -0.805 7.129 0.758 1.00 0.00 C ATOM 216 CD2 LEU A 18 -1.799 9.088 1.953 1.00 0.00 C ATOM 0 H LEU A 18 0.411 7.710 4.588 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.497 8.146 4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.965 5.978 3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.559 6.608 2.800 1.00 0.00 H new ATOM 0 HG LEU A 18 0.041 8.127 2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.369 7.815 0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.156 6.261 0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.785 6.805 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.349 9.747 1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.804 8.813 1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.852 9.604 2.912 1.00 0.00 H new ATOM 228 N VAL A 19 -3.228 6.054 5.799 1.00 0.00 N ATOM 229 CA VAL A 19 -3.629 4.991 6.712 1.00 0.00 C ATOM 230 C VAL A 19 -4.291 3.841 5.961 1.00 0.00 C ATOM 231 O VAL A 19 -5.348 4.010 5.352 1.00 0.00 O ATOM 232 CB VAL A 19 -4.600 5.512 7.789 1.00 0.00 C ATOM 233 CG1 VAL A 19 -4.881 4.432 8.823 1.00 0.00 C ATOM 234 CG2 VAL A 19 -4.040 6.762 8.450 1.00 0.00 C ATOM 0 H VAL A 19 -4.004 6.576 5.392 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.721 4.631 7.195 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.542 5.774 7.308 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.569 4.819 9.575 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.328 3.567 8.333 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.948 4.136 9.302 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.738 7.117 9.208 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.084 6.529 8.918 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.896 7.538 7.698 1.00 0.00 H new ATOM 244 N LEU A 20 -3.663 2.672 6.007 1.00 0.00 N ATOM 245 CA LEU A 20 -4.191 1.492 5.331 1.00 0.00 C ATOM 246 C LEU A 20 -5.158 0.734 6.234 1.00 0.00 C ATOM 247 O LEU A 20 -4.921 0.591 7.434 1.00 0.00 O ATOM 248 CB LEU A 20 -3.047 0.571 4.903 1.00 0.00 C ATOM 249 CG LEU A 20 -3.396 -0.493 3.861 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.176 -0.837 3.021 1.00 0.00 C ATOM 251 CD2 LEU A 20 -3.950 -1.739 4.536 1.00 0.00 C ATOM 0 H LEU A 20 -2.787 2.515 6.506 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.734 1.823 4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.240 1.187 4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.660 0.069 5.790 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.164 -0.090 3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.443 -1.595 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.823 0.058 2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.386 -1.220 3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.193 -2.485 3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.204 -2.145 5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.851 -1.481 5.093 1.00 0.00 H new ATOM 263 N SER A 21 -6.249 0.248 5.649 1.00 0.00 N ATOM 264 CA SER A 21 -7.253 -0.494 6.401 1.00 0.00 C ATOM 265 C SER A 21 -7.651 -1.770 5.664 1.00 0.00 C ATOM 266 O SER A 21 -7.647 -1.816 4.435 1.00 0.00 O ATOM 267 CB SER A 21 -8.489 0.376 6.639 1.00 0.00 C ATOM 268 OG SER A 21 -9.209 0.581 5.436 1.00 0.00 O ATOM 0 H SER A 21 -6.459 0.355 4.657 1.00 0.00 H new ATOM 0 HA SER A 21 -6.820 -0.770 7.363 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.135 -0.100 7.377 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.186 1.338 7.053 1.00 0.00 H new ATOM 0 HG SER A 21 -9.995 1.138 5.616 1.00 0.00 H new ATOM 274 N ASN A 22 -7.993 -2.803 6.426 1.00 0.00 N ATOM 275 CA ASN A 22 -8.392 -4.081 5.847 1.00 0.00 C ATOM 276 C ASN A 22 -7.201 -4.781 5.199 1.00 0.00 C ATOM 277 O ASN A 22 -7.308 -5.317 4.095 1.00 0.00 O ATOM 278 CB ASN A 22 -9.500 -3.871 4.812 1.00 0.00 C ATOM 279 CG ASN A 22 -10.302 -5.133 4.560 1.00 0.00 C ATOM 280 OD1 ASN A 22 -11.225 -5.455 5.309 1.00 0.00 O ATOM 281 ND2 ASN A 22 -9.953 -5.855 3.502 1.00 0.00 N ATOM 0 H ASN A 22 -8.002 -2.781 7.446 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.769 -4.714 6.650 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.169 -3.081 5.155 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.059 -3.531 3.875 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.456 -6.715 3.283 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.181 -5.550 2.909 1.00 0.00 H new ATOM 288 N LEU A 23 -6.068 -4.772 5.892 1.00 0.00 N ATOM 289 CA LEU A 23 -4.856 -5.406 5.386 1.00 0.00 C ATOM 290 C LEU A 23 -4.866 -6.904 5.672 1.00 0.00 C ATOM 291 O LEU A 23 -5.303 -7.340 6.736 1.00 0.00 O ATOM 292 CB LEU A 23 -3.619 -4.763 6.014 1.00 0.00 C ATOM 293 CG LEU A 23 -2.327 -4.857 5.202 1.00 0.00 C ATOM 294 CD1 LEU A 23 -1.261 -3.943 5.786 1.00 0.00 C ATOM 295 CD2 LEU A 23 -1.831 -6.295 5.153 1.00 0.00 C ATOM 0 H LEU A 23 -5.963 -4.332 6.806 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.823 -5.261 4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.834 -3.710 6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.448 -5.226 6.986 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.537 -4.531 4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.349 -4.024 5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.615 -2.912 5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.054 -4.237 6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.911 -6.343 4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.638 -6.648 6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.588 -6.925 4.687 1.00 0.00 H new ATOM 307 N SER A 24 -4.378 -7.687 4.715 1.00 0.00 N ATOM 308 CA SER A 24 -4.331 -9.137 4.863 1.00 0.00 C ATOM 309 C SER A 24 -3.070 -9.567 5.607 1.00 0.00 C ATOM 310 O SER A 24 -1.973 -9.085 5.322 1.00 0.00 O ATOM 311 CB SER A 24 -4.383 -9.813 3.492 1.00 0.00 C ATOM 312 OG SER A 24 -5.720 -10.074 3.102 1.00 0.00 O ATOM 0 H SER A 24 -4.010 -7.341 3.829 1.00 0.00 H new ATOM 0 HA SER A 24 -5.199 -9.446 5.446 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.903 -9.175 2.750 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.821 -10.746 3.522 1.00 0.00 H new ATOM 0 HG SER A 24 -5.730 -10.446 2.195 1.00 0.00 H new ATOM 318 N TYR A 25 -3.235 -10.476 6.561 1.00 0.00 N ATOM 319 CA TYR A 25 -2.112 -10.970 7.349 1.00 0.00 C ATOM 320 C TYR A 25 -0.958 -11.395 6.446 1.00 0.00 C ATOM 321 O TYR A 25 0.205 -11.110 6.731 1.00 0.00 O ATOM 322 CB TYR A 25 -2.552 -12.147 8.221 1.00 0.00 C ATOM 323 CG TYR A 25 -3.979 -12.038 8.710 1.00 0.00 C ATOM 324 CD1 TYR A 25 -4.339 -11.088 9.657 1.00 0.00 C ATOM 325 CD2 TYR A 25 -4.967 -12.887 8.226 1.00 0.00 C ATOM 326 CE1 TYR A 25 -5.641 -10.985 10.107 1.00 0.00 C ATOM 327 CE2 TYR A 25 -6.271 -12.791 8.669 1.00 0.00 C ATOM 328 CZ TYR A 25 -6.603 -11.839 9.610 1.00 0.00 C ATOM 329 OH TYR A 25 -7.902 -11.740 10.055 1.00 0.00 O ATOM 0 H TYR A 25 -4.136 -10.886 6.808 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.768 -10.160 7.991 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.441 -13.071 7.653 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.887 -12.220 9.081 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.588 -10.418 10.048 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.710 -13.635 7.490 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.904 -10.240 10.844 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.027 -13.458 8.281 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.454 -12.413 9.605 1.00 0.00 H new ATOM 339 N SER A 26 -1.290 -12.077 5.355 1.00 0.00 N ATOM 340 CA SER A 26 -0.283 -12.545 4.410 1.00 0.00 C ATOM 341 C SER A 26 0.482 -11.372 3.806 1.00 0.00 C ATOM 342 O SER A 26 1.612 -11.525 3.343 1.00 0.00 O ATOM 343 CB SER A 26 -0.938 -13.368 3.299 1.00 0.00 C ATOM 344 OG SER A 26 -1.517 -14.553 3.816 1.00 0.00 O ATOM 0 H SER A 26 -2.249 -12.318 5.103 1.00 0.00 H new ATOM 0 HA SER A 26 0.422 -13.176 4.952 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.704 -12.771 2.804 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.194 -13.622 2.544 1.00 0.00 H new ATOM 0 HG SER A 26 -1.930 -15.060 3.087 1.00 0.00 H new ATOM 350 N ALA A 27 -0.143 -10.199 3.815 1.00 0.00 N ATOM 351 CA ALA A 27 0.478 -8.998 3.270 1.00 0.00 C ATOM 352 C ALA A 27 1.429 -8.365 4.280 1.00 0.00 C ATOM 353 O ALA A 27 1.093 -8.215 5.456 1.00 0.00 O ATOM 354 CB ALA A 27 -0.588 -7.998 2.847 1.00 0.00 C ATOM 0 H ALA A 27 -1.079 -10.055 4.194 1.00 0.00 H new ATOM 0 HA ALA A 27 1.059 -9.285 2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.110 -7.106 2.442 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.225 -8.446 2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.194 -7.724 3.711 1.00 0.00 H new ATOM 360 N THR A 28 2.618 -7.996 3.816 1.00 0.00 N ATOM 361 CA THR A 28 3.619 -7.381 4.679 1.00 0.00 C ATOM 362 C THR A 28 4.297 -6.206 3.984 1.00 0.00 C ATOM 363 O THR A 28 4.099 -5.981 2.791 1.00 0.00 O ATOM 364 CB THR A 28 4.693 -8.399 5.108 1.00 0.00 C ATOM 365 OG1 THR A 28 5.566 -8.682 4.009 1.00 0.00 O ATOM 366 CG2 THR A 28 4.051 -9.688 5.598 1.00 0.00 C ATOM 0 H THR A 28 2.912 -8.112 2.846 1.00 0.00 H new ATOM 0 HA THR A 28 3.095 -7.022 5.565 1.00 0.00 H new ATOM 0 HB THR A 28 5.268 -7.965 5.926 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.247 -9.328 4.290 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.829 -10.392 5.895 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.410 -9.473 6.453 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.454 -10.124 4.797 1.00 0.00 H new ATOM 374 N GLU A 29 5.098 -5.460 4.739 1.00 0.00 N ATOM 375 CA GLU A 29 5.806 -4.308 4.194 1.00 0.00 C ATOM 376 C GLU A 29 6.334 -4.606 2.794 1.00 0.00 C ATOM 377 O GLU A 29 6.452 -3.709 1.960 1.00 0.00 O ATOM 378 CB GLU A 29 6.963 -3.910 5.113 1.00 0.00 C ATOM 379 CG GLU A 29 6.571 -2.906 6.185 1.00 0.00 C ATOM 380 CD GLU A 29 7.504 -2.934 7.380 1.00 0.00 C ATOM 381 OE1 GLU A 29 8.621 -2.386 7.273 1.00 0.00 O ATOM 382 OE2 GLU A 29 7.118 -3.505 8.421 1.00 0.00 O ATOM 0 H GLU A 29 5.272 -5.633 5.729 1.00 0.00 H new ATOM 0 HA GLU A 29 5.101 -3.479 4.129 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.359 -4.805 5.593 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.767 -3.489 4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.567 -1.904 5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.554 -3.114 6.518 1.00 0.00 H new ATOM 389 N GLU A 30 6.650 -5.873 2.544 1.00 0.00 N ATOM 390 CA GLU A 30 7.167 -6.289 1.246 1.00 0.00 C ATOM 391 C GLU A 30 6.152 -6.010 0.141 1.00 0.00 C ATOM 392 O GLU A 30 6.475 -5.389 -0.872 1.00 0.00 O ATOM 393 CB GLU A 30 7.519 -7.778 1.265 1.00 0.00 C ATOM 394 CG GLU A 30 8.951 -8.059 1.688 1.00 0.00 C ATOM 395 CD GLU A 30 9.958 -7.209 0.939 1.00 0.00 C ATOM 396 OE1 GLU A 30 10.271 -6.099 1.420 1.00 0.00 O ATOM 397 OE2 GLU A 30 10.433 -7.651 -0.128 1.00 0.00 O ATOM 0 H GLU A 30 6.557 -6.628 3.223 1.00 0.00 H new ATOM 0 HA GLU A 30 8.069 -5.712 1.042 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.840 -8.295 1.944 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.354 -8.195 0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.052 -7.877 2.758 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.175 -9.113 1.521 1.00 0.00 H new ATOM 404 N THR A 31 4.923 -6.473 0.344 1.00 0.00 N ATOM 405 CA THR A 31 3.860 -6.275 -0.634 1.00 0.00 C ATOM 406 C THR A 31 3.472 -4.805 -0.734 1.00 0.00 C ATOM 407 O THR A 31 3.146 -4.310 -1.814 1.00 0.00 O ATOM 408 CB THR A 31 2.610 -7.102 -0.279 1.00 0.00 C ATOM 409 OG1 THR A 31 2.981 -8.456 0.001 1.00 0.00 O ATOM 410 CG2 THR A 31 1.601 -7.073 -1.418 1.00 0.00 C ATOM 0 H THR A 31 4.639 -6.988 1.177 1.00 0.00 H new ATOM 0 HA THR A 31 4.248 -6.611 -1.596 1.00 0.00 H new ATOM 0 HB THR A 31 2.150 -6.662 0.605 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.181 -8.974 0.227 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.727 -7.664 -1.145 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.298 -6.044 -1.610 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.055 -7.491 -2.317 1.00 0.00 H new ATOM 418 N LEU A 32 3.509 -4.110 0.398 1.00 0.00 N ATOM 419 CA LEU A 32 3.161 -2.694 0.437 1.00 0.00 C ATOM 420 C LEU A 32 4.176 -1.861 -0.339 1.00 0.00 C ATOM 421 O LEU A 32 3.818 -0.888 -1.001 1.00 0.00 O ATOM 422 CB LEU A 32 3.086 -2.207 1.886 1.00 0.00 C ATOM 423 CG LEU A 32 2.226 -3.045 2.832 1.00 0.00 C ATOM 424 CD1 LEU A 32 2.246 -2.456 4.234 1.00 0.00 C ATOM 425 CD2 LEU A 32 0.799 -3.140 2.312 1.00 0.00 C ATOM 0 H LEU A 32 3.776 -4.504 1.300 1.00 0.00 H new ATOM 0 HA LEU A 32 2.185 -2.573 -0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.099 -2.167 2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.702 -1.187 1.886 1.00 0.00 H new ATOM 0 HG LEU A 32 2.643 -4.051 2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.628 -3.066 4.894 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.270 -2.440 4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.854 -1.439 4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.201 -3.740 2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.372 -2.140 2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.801 -3.608 1.328 1.00 0.00 H new ATOM 437 N GLN A 33 5.443 -2.253 -0.255 1.00 0.00 N ATOM 438 CA GLN A 33 6.510 -1.544 -0.951 1.00 0.00 C ATOM 439 C GLN A 33 6.278 -1.556 -2.458 1.00 0.00 C ATOM 440 O GLN A 33 6.741 -0.668 -3.173 1.00 0.00 O ATOM 441 CB GLN A 33 7.866 -2.173 -0.627 1.00 0.00 C ATOM 442 CG GLN A 33 8.497 -1.636 0.648 1.00 0.00 C ATOM 443 CD GLN A 33 9.342 -0.402 0.405 1.00 0.00 C ATOM 444 OE1 GLN A 33 10.569 -0.480 0.327 1.00 0.00 O ATOM 445 NE2 GLN A 33 8.690 0.748 0.284 1.00 0.00 N ATOM 0 H GLN A 33 5.756 -3.058 0.288 1.00 0.00 H new ATOM 0 HA GLN A 33 6.507 -0.509 -0.609 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.744 -3.252 -0.535 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.546 -1.999 -1.461 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.712 -1.398 1.366 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.116 -2.413 1.098 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.673 0.767 0.355 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.206 1.612 0.120 1.00 0.00 H new ATOM 454 N GLU A 34 5.558 -2.567 -2.933 1.00 0.00 N ATOM 455 CA GLU A 34 5.266 -2.694 -4.357 1.00 0.00 C ATOM 456 C GLU A 34 4.094 -1.801 -4.753 1.00 0.00 C ATOM 457 O GLU A 34 4.132 -1.129 -5.784 1.00 0.00 O ATOM 458 CB GLU A 34 4.954 -4.150 -4.708 1.00 0.00 C ATOM 459 CG GLU A 34 6.066 -5.118 -4.338 1.00 0.00 C ATOM 460 CD GLU A 34 5.751 -6.547 -4.734 1.00 0.00 C ATOM 461 OE1 GLU A 34 5.203 -6.751 -5.837 1.00 0.00 O ATOM 462 OE2 GLU A 34 6.054 -7.462 -3.940 1.00 0.00 O ATOM 0 H GLU A 34 5.166 -3.310 -2.354 1.00 0.00 H new ATOM 0 HA GLU A 34 6.148 -2.375 -4.913 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.039 -4.450 -4.198 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.761 -4.223 -5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.991 -4.806 -4.823 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.239 -5.073 -3.263 1.00 0.00 H new ATOM 469 N VAL A 35 3.053 -1.801 -3.927 1.00 0.00 N ATOM 470 CA VAL A 35 1.869 -0.991 -4.190 1.00 0.00 C ATOM 471 C VAL A 35 2.198 0.497 -4.137 1.00 0.00 C ATOM 472 O VAL A 35 1.703 1.283 -4.946 1.00 0.00 O ATOM 473 CB VAL A 35 0.746 -1.294 -3.181 1.00 0.00 C ATOM 474 CG1 VAL A 35 -0.483 -0.449 -3.479 1.00 0.00 C ATOM 475 CG2 VAL A 35 0.401 -2.775 -3.196 1.00 0.00 C ATOM 0 H VAL A 35 3.005 -2.353 -3.070 1.00 0.00 H new ATOM 0 HA VAL A 35 1.526 -1.248 -5.192 1.00 0.00 H new ATOM 0 HB VAL A 35 1.100 -1.037 -2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.266 -0.677 -2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.223 0.607 -3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.842 -0.671 -4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.394 -2.971 -2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.067 -3.061 -4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.283 -3.357 -2.929 1.00 0.00 H new ATOM 485 N PHE A 36 3.037 0.878 -3.179 1.00 0.00 N ATOM 486 CA PHE A 36 3.433 2.272 -3.019 1.00 0.00 C ATOM 487 C PHE A 36 4.917 2.455 -3.324 1.00 0.00 C ATOM 488 O PHE A 36 5.775 2.035 -2.548 1.00 0.00 O ATOM 489 CB PHE A 36 3.129 2.751 -1.598 1.00 0.00 C ATOM 490 CG PHE A 36 1.702 2.530 -1.184 1.00 0.00 C ATOM 491 CD1 PHE A 36 0.726 3.465 -1.489 1.00 0.00 C ATOM 492 CD2 PHE A 36 1.337 1.389 -0.489 1.00 0.00 C ATOM 493 CE1 PHE A 36 -0.587 3.265 -1.108 1.00 0.00 C ATOM 494 CE2 PHE A 36 0.025 1.183 -0.105 1.00 0.00 C ATOM 495 CZ PHE A 36 -0.938 2.122 -0.416 1.00 0.00 C ATOM 0 H PHE A 36 3.456 0.240 -2.502 1.00 0.00 H new ATOM 0 HA PHE A 36 2.859 2.870 -3.727 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.786 2.232 -0.900 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.360 3.814 -1.524 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.995 4.360 -2.031 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.087 0.651 -0.244 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.338 4.002 -1.351 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.246 0.289 0.437 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.964 1.963 -0.119 1.00 0.00 H new ATOM 505 N GLU A 37 5.209 3.083 -4.458 1.00 0.00 N ATOM 506 CA GLU A 37 6.590 3.319 -4.865 1.00 0.00 C ATOM 507 C GLU A 37 7.093 4.656 -4.329 1.00 0.00 C ATOM 508 O GLU A 37 8.280 4.817 -4.043 1.00 0.00 O ATOM 509 CB GLU A 37 6.706 3.292 -6.391 1.00 0.00 C ATOM 510 CG GLU A 37 6.304 1.964 -7.008 1.00 0.00 C ATOM 511 CD GLU A 37 7.424 0.941 -6.974 1.00 0.00 C ATOM 512 OE1 GLU A 37 8.158 0.901 -5.965 1.00 0.00 O ATOM 513 OE2 GLU A 37 7.566 0.183 -7.956 1.00 0.00 O ATOM 0 H GLU A 37 4.510 3.437 -5.111 1.00 0.00 H new ATOM 0 HA GLU A 37 7.207 2.524 -4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.081 4.081 -6.809 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.734 3.518 -6.673 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.439 1.568 -6.476 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.996 2.126 -8.041 1.00 0.00 H new ATOM 520 N LYS A 38 6.182 5.615 -4.196 1.00 0.00 N ATOM 521 CA LYS A 38 6.532 6.938 -3.695 1.00 0.00 C ATOM 522 C LYS A 38 6.625 6.936 -2.172 1.00 0.00 C ATOM 523 O LYS A 38 7.250 7.814 -1.578 1.00 0.00 O ATOM 524 CB LYS A 38 5.496 7.969 -4.151 1.00 0.00 C ATOM 525 CG LYS A 38 5.229 7.941 -5.646 1.00 0.00 C ATOM 526 CD LYS A 38 6.288 8.711 -6.416 1.00 0.00 C ATOM 527 CE LYS A 38 6.024 8.677 -7.913 1.00 0.00 C ATOM 528 NZ LYS A 38 5.163 9.811 -8.351 1.00 0.00 N ATOM 0 H LYS A 38 5.196 5.500 -4.429 1.00 0.00 H new ATOM 0 HA LYS A 38 7.507 7.207 -4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.561 7.792 -3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.838 8.965 -3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.205 6.908 -5.993 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.247 8.369 -5.849 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.309 9.745 -6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.270 8.287 -6.209 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.972 8.713 -8.450 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.544 7.734 -8.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.238 9.447 -8.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.030 10.472 -7.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.619 10.307 -9.143 1.00 0.00 H new ATOM 542 N ALA A 39 6.001 5.943 -1.547 1.00 0.00 N ATOM 543 CA ALA A 39 6.017 5.825 -0.094 1.00 0.00 C ATOM 544 C ALA A 39 7.445 5.834 0.441 1.00 0.00 C ATOM 545 O ALA A 39 8.188 4.865 0.276 1.00 0.00 O ATOM 546 CB ALA A 39 5.297 4.557 0.340 1.00 0.00 C ATOM 0 H ALA A 39 5.478 5.209 -2.024 1.00 0.00 H new ATOM 0 HA ALA A 39 5.495 6.687 0.322 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.317 4.481 1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.263 4.590 -0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.795 3.689 -0.093 1.00 0.00 H new ATOM 552 N THR A 40 7.825 6.934 1.084 1.00 0.00 N ATOM 553 CA THR A 40 9.164 7.070 1.642 1.00 0.00 C ATOM 554 C THR A 40 9.392 6.074 2.773 1.00 0.00 C ATOM 555 O THR A 40 10.530 5.808 3.160 1.00 0.00 O ATOM 556 CB THR A 40 9.411 8.496 2.170 1.00 0.00 C ATOM 557 OG1 THR A 40 8.556 8.759 3.288 1.00 0.00 O ATOM 558 CG2 THR A 40 9.161 9.527 1.080 1.00 0.00 C ATOM 0 H THR A 40 7.223 7.744 1.231 1.00 0.00 H new ATOM 0 HA THR A 40 9.866 6.864 0.834 1.00 0.00 H new ATOM 0 HB THR A 40 10.452 8.568 2.485 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.720 9.667 3.619 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.342 10.526 1.476 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.834 9.342 0.243 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.128 9.453 0.739 1.00 0.00 H new ATOM 566 N PHE A 41 8.302 5.527 3.302 1.00 0.00 N ATOM 567 CA PHE A 41 8.383 4.560 4.391 1.00 0.00 C ATOM 568 C PHE A 41 7.050 3.842 4.581 1.00 0.00 C ATOM 569 O PHE A 41 5.984 4.430 4.393 1.00 0.00 O ATOM 570 CB PHE A 41 8.790 5.258 5.691 1.00 0.00 C ATOM 571 CG PHE A 41 9.361 4.323 6.718 1.00 0.00 C ATOM 572 CD1 PHE A 41 10.682 3.910 6.639 1.00 0.00 C ATOM 573 CD2 PHE A 41 8.579 3.859 7.763 1.00 0.00 C ATOM 574 CE1 PHE A 41 11.210 3.050 7.583 1.00 0.00 C ATOM 575 CE2 PHE A 41 9.103 2.999 8.711 1.00 0.00 C ATOM 576 CZ PHE A 41 10.420 2.595 8.621 1.00 0.00 C ATOM 0 H PHE A 41 7.352 5.737 2.994 1.00 0.00 H new ATOM 0 HA PHE A 41 9.140 3.820 4.132 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.525 6.030 5.465 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.919 5.761 6.112 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.305 4.264 5.831 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.548 4.172 7.838 1.00 0.00 H new ATOM 0 HE1 PHE A 41 12.240 2.734 7.509 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.483 2.644 9.521 1.00 0.00 H new ATOM 0 HZ PHE A 41 10.832 1.924 9.361 1.00 0.00 H new ATOM 586 N ILE A 42 7.119 2.569 4.953 1.00 0.00 N ATOM 587 CA ILE A 42 5.919 1.770 5.169 1.00 0.00 C ATOM 588 C ILE A 42 5.971 1.051 6.513 1.00 0.00 C ATOM 589 O ILE A 42 6.946 0.367 6.826 1.00 0.00 O ATOM 590 CB ILE A 42 5.726 0.730 4.050 1.00 0.00 C ATOM 591 CG1 ILE A 42 5.533 1.428 2.703 1.00 0.00 C ATOM 592 CG2 ILE A 42 4.539 -0.169 4.362 1.00 0.00 C ATOM 593 CD1 ILE A 42 5.295 0.472 1.555 1.00 0.00 C ATOM 0 H ILE A 42 7.993 2.068 5.111 1.00 0.00 H new ATOM 0 HA ILE A 42 5.075 2.460 5.162 1.00 0.00 H new ATOM 0 HB ILE A 42 6.621 0.110 3.992 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.688 2.113 2.776 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.415 2.031 2.486 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.415 -0.899 3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.714 -0.689 5.304 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.636 0.436 4.444 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.167 1.037 0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.150 -0.197 1.455 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.397 -0.114 1.750 1.00 0.00 H new ATOM 605 N LYS A 43 4.915 1.209 7.304 1.00 0.00 N ATOM 606 CA LYS A 43 4.838 0.573 8.613 1.00 0.00 C ATOM 607 C LYS A 43 3.614 -0.333 8.707 1.00 0.00 C ATOM 608 O LYS A 43 2.507 0.062 8.340 1.00 0.00 O ATOM 609 CB LYS A 43 4.786 1.633 9.716 1.00 0.00 C ATOM 610 CG LYS A 43 5.178 1.106 11.085 1.00 0.00 C ATOM 611 CD LYS A 43 6.687 1.082 11.262 1.00 0.00 C ATOM 612 CE LYS A 43 7.111 0.041 12.287 1.00 0.00 C ATOM 613 NZ LYS A 43 7.359 -1.287 11.660 1.00 0.00 N ATOM 0 H LYS A 43 4.100 1.773 7.061 1.00 0.00 H new ATOM 0 HA LYS A 43 5.731 -0.037 8.745 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.449 2.456 9.449 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.777 2.041 9.769 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.730 1.730 11.858 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.779 0.100 11.217 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.163 0.867 10.305 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.033 2.066 11.577 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.015 0.378 12.794 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.337 -0.056 13.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.646 -1.968 12.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.489 -1.621 11.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.116 -1.201 10.952 1.00 0.00 H new ATOM 627 N VAL A 44 3.820 -1.550 9.201 1.00 0.00 N ATOM 628 CA VAL A 44 2.734 -2.511 9.345 1.00 0.00 C ATOM 629 C VAL A 44 2.773 -3.185 10.712 1.00 0.00 C ATOM 630 O VAL A 44 3.595 -4.062 10.975 1.00 0.00 O ATOM 631 CB VAL A 44 2.792 -3.592 8.250 1.00 0.00 C ATOM 632 CG1 VAL A 44 4.166 -4.244 8.216 1.00 0.00 C ATOM 633 CG2 VAL A 44 1.704 -4.633 8.470 1.00 0.00 C ATOM 0 H VAL A 44 4.730 -1.893 9.508 1.00 0.00 H new ATOM 0 HA VAL A 44 1.803 -1.953 9.245 1.00 0.00 H new ATOM 0 HB VAL A 44 2.618 -3.116 7.285 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.188 -5.005 7.436 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.923 -3.488 8.007 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.373 -4.707 9.181 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.760 -5.389 7.687 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.844 -5.106 9.442 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.727 -4.150 8.439 1.00 0.00 H new ATOM 643 N PRO A 45 1.863 -2.766 11.604 1.00 0.00 N ATOM 644 CA PRO A 45 1.773 -3.317 12.960 1.00 0.00 C ATOM 645 C PRO A 45 1.264 -4.755 12.969 1.00 0.00 C ATOM 646 O PRO A 45 0.147 -5.030 12.534 1.00 0.00 O ATOM 647 CB PRO A 45 0.770 -2.391 13.652 1.00 0.00 C ATOM 648 CG PRO A 45 -0.062 -1.838 12.547 1.00 0.00 C ATOM 649 CD PRO A 45 0.852 -1.724 11.358 1.00 0.00 C ATOM 0 HA PRO A 45 2.746 -3.357 13.449 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.160 -2.936 14.372 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.277 -1.597 14.200 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -0.906 -2.492 12.329 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.474 -0.866 12.817 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.318 -1.895 10.423 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.303 -0.734 11.291 1.00 0.00 H new ATOM 657 N GLN A 46 2.092 -5.667 13.467 1.00 0.00 N ATOM 658 CA GLN A 46 1.726 -7.077 13.532 1.00 0.00 C ATOM 659 C GLN A 46 1.415 -7.493 14.966 1.00 0.00 C ATOM 660 O GLN A 46 1.583 -6.710 15.900 1.00 0.00 O ATOM 661 CB GLN A 46 2.852 -7.945 12.969 1.00 0.00 C ATOM 662 CG GLN A 46 3.417 -7.432 11.655 1.00 0.00 C ATOM 663 CD GLN A 46 2.395 -7.444 10.535 1.00 0.00 C ATOM 664 OE1 GLN A 46 1.416 -6.697 10.565 1.00 0.00 O ATOM 665 NE2 GLN A 46 2.617 -8.293 9.539 1.00 0.00 N ATOM 0 H GLN A 46 3.021 -5.455 13.831 1.00 0.00 H new ATOM 0 HA GLN A 46 0.830 -7.222 12.929 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.656 -8.003 13.703 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.480 -8.959 12.823 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.785 -6.416 11.795 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.272 -8.044 11.368 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.441 -8.894 9.555 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.963 -8.345 8.758 1.00 0.00 H new ATOM 674 N ASN A 47 0.959 -8.730 15.132 1.00 0.00 N ATOM 675 CA ASN A 47 0.623 -9.250 16.453 1.00 0.00 C ATOM 676 C ASN A 47 1.736 -10.150 16.982 1.00 0.00 C ATOM 677 O ASN A 47 2.710 -10.425 16.282 1.00 0.00 O ATOM 678 CB ASN A 47 -0.693 -10.028 16.398 1.00 0.00 C ATOM 679 CG ASN A 47 -1.862 -9.157 15.980 1.00 0.00 C ATOM 680 OD1 ASN A 47 -2.640 -8.699 16.817 1.00 0.00 O ATOM 681 ND2 ASN A 47 -1.991 -8.925 14.679 1.00 0.00 N ATOM 0 H ASN A 47 0.814 -9.391 14.369 1.00 0.00 H new ATOM 0 HA ASN A 47 0.510 -8.404 17.131 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.593 -10.857 15.698 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.898 -10.461 17.377 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.759 -8.347 14.338 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.322 -9.325 14.021 1.00 0.00 H new ATOM 688 N GLN A 48 1.583 -10.604 18.222 1.00 0.00 N ATOM 689 CA GLN A 48 2.575 -11.472 18.845 1.00 0.00 C ATOM 690 C GLN A 48 2.915 -12.650 17.937 1.00 0.00 C ATOM 691 O GLN A 48 4.073 -13.052 17.833 1.00 0.00 O ATOM 692 CB GLN A 48 2.063 -11.982 20.193 1.00 0.00 C ATOM 693 CG GLN A 48 1.976 -10.902 21.259 1.00 0.00 C ATOM 694 CD GLN A 48 1.678 -11.464 22.635 1.00 0.00 C ATOM 695 OE1 GLN A 48 2.572 -11.951 23.327 1.00 0.00 O ATOM 696 NE2 GLN A 48 0.415 -11.398 23.040 1.00 0.00 N ATOM 0 H GLN A 48 0.782 -10.385 18.814 1.00 0.00 H new ATOM 0 HA GLN A 48 3.481 -10.888 19.006 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.076 -12.424 20.054 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.721 -12.776 20.545 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.916 -10.352 21.291 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.198 -10.189 20.986 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.294 -10.986 22.434 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.154 -11.759 23.957 1.00 0.00 H new ATOM 705 N ASN A 49 1.897 -13.199 17.283 1.00 0.00 N ATOM 706 CA ASN A 49 2.087 -14.332 16.385 1.00 0.00 C ATOM 707 C ASN A 49 2.799 -13.899 15.107 1.00 0.00 C ATOM 708 O ASN A 49 3.853 -14.431 14.760 1.00 0.00 O ATOM 709 CB ASN A 49 0.739 -14.969 16.040 1.00 0.00 C ATOM 710 CG ASN A 49 -0.234 -13.973 15.440 1.00 0.00 C ATOM 711 OD1 ASN A 49 -0.257 -13.764 14.227 1.00 0.00 O ATOM 712 ND2 ASN A 49 -1.044 -13.352 16.290 1.00 0.00 N ATOM 0 H ASN A 49 0.932 -12.878 17.358 1.00 0.00 H new ATOM 0 HA ASN A 49 2.708 -15.068 16.895 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.896 -15.788 15.338 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.303 -15.401 16.941 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.720 -12.671 15.945 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.990 -13.557 17.288 1.00 0.00 H new ATOM 719 N GLY A 50 2.215 -12.929 14.410 1.00 0.00 N ATOM 720 CA GLY A 50 2.807 -12.440 13.178 1.00 0.00 C ATOM 721 C GLY A 50 1.766 -12.087 12.135 1.00 0.00 C ATOM 722 O GLY A 50 2.008 -12.220 10.935 1.00 0.00 O ATOM 0 H GLY A 50 1.342 -12.473 14.676 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.413 -11.560 13.394 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.478 -13.198 12.775 1.00 0.00 H new ATOM 726 N LYS A 51 0.602 -11.636 12.591 1.00 0.00 N ATOM 727 CA LYS A 51 -0.481 -11.262 11.689 1.00 0.00 C ATOM 728 C LYS A 51 -0.677 -9.750 11.672 1.00 0.00 C ATOM 729 O LYS A 51 -0.312 -9.056 12.621 1.00 0.00 O ATOM 730 CB LYS A 51 -1.782 -11.951 12.109 1.00 0.00 C ATOM 731 CG LYS A 51 -2.570 -11.179 13.152 1.00 0.00 C ATOM 732 CD LYS A 51 -3.884 -11.867 13.481 1.00 0.00 C ATOM 733 CE LYS A 51 -4.695 -11.069 14.490 1.00 0.00 C ATOM 734 NZ LYS A 51 -5.586 -10.078 13.827 1.00 0.00 N ATOM 0 H LYS A 51 0.385 -11.521 13.581 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.212 -11.587 10.684 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.407 -12.096 11.228 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.549 -12.941 12.501 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.974 -11.079 14.059 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.768 -10.171 12.787 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.465 -11.999 12.568 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.685 -12.862 13.878 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.295 -11.750 15.093 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.019 -10.551 15.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.121 -9.555 14.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.012 -9.412 13.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.248 -10.574 13.197 1.00 0.00 H new ATOM 748 N SER A 52 -1.258 -9.246 10.588 1.00 0.00 N ATOM 749 CA SER A 52 -1.501 -7.815 10.446 1.00 0.00 C ATOM 750 C SER A 52 -2.778 -7.406 11.173 1.00 0.00 C ATOM 751 O SER A 52 -3.875 -7.835 10.814 1.00 0.00 O ATOM 752 CB SER A 52 -1.598 -7.436 8.967 1.00 0.00 C ATOM 753 OG SER A 52 -2.801 -7.919 8.396 1.00 0.00 O ATOM 0 H SER A 52 -1.569 -9.807 9.795 1.00 0.00 H new ATOM 0 HA SER A 52 -0.662 -7.283 10.895 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.551 -6.352 8.862 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.745 -7.846 8.426 1.00 0.00 H new ATOM 0 HG SER A 52 -3.375 -8.282 9.102 1.00 0.00 H new ATOM 759 N LYS A 53 -2.628 -6.573 12.198 1.00 0.00 N ATOM 760 CA LYS A 53 -3.768 -6.104 12.976 1.00 0.00 C ATOM 761 C LYS A 53 -4.953 -5.788 12.069 1.00 0.00 C ATOM 762 O LYS A 53 -6.108 -5.937 12.466 1.00 0.00 O ATOM 763 CB LYS A 53 -3.384 -4.862 13.783 1.00 0.00 C ATOM 764 CG LYS A 53 -2.198 -5.079 14.706 1.00 0.00 C ATOM 765 CD LYS A 53 -2.295 -4.214 15.952 1.00 0.00 C ATOM 766 CE LYS A 53 -1.446 -4.770 17.084 1.00 0.00 C ATOM 767 NZ LYS A 53 -1.722 -4.080 18.375 1.00 0.00 N ATOM 0 H LYS A 53 -1.727 -6.209 12.509 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.060 -6.899 13.662 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.154 -4.049 13.095 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.242 -4.545 14.376 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.147 -6.129 14.994 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.275 -4.850 14.174 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.972 -3.200 15.718 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.335 -4.151 16.273 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.641 -5.837 17.194 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.391 -4.663 16.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.124 -4.488 19.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.512 -3.066 18.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.723 -4.204 18.628 1.00 0.00 H new ATOM 781 N GLY A 54 -4.659 -5.352 10.848 1.00 0.00 N ATOM 782 CA GLY A 54 -5.710 -5.023 9.904 1.00 0.00 C ATOM 783 C GLY A 54 -5.546 -3.637 9.311 1.00 0.00 C ATOM 784 O GLY A 54 -6.408 -3.165 8.570 1.00 0.00 O ATOM 0 H GLY A 54 -3.711 -5.221 10.496 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.716 -5.760 9.101 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.676 -5.089 10.404 1.00 0.00 H new ATOM 788 N TYR A 55 -4.437 -2.984 9.640 1.00 0.00 N ATOM 789 CA TYR A 55 -4.164 -1.642 9.138 1.00 0.00 C ATOM 790 C TYR A 55 -2.666 -1.426 8.947 1.00 0.00 C ATOM 791 O TYR A 55 -1.855 -2.289 9.282 1.00 0.00 O ATOM 792 CB TYR A 55 -4.723 -0.592 10.100 1.00 0.00 C ATOM 793 CG TYR A 55 -4.484 -0.918 11.557 1.00 0.00 C ATOM 794 CD1 TYR A 55 -5.202 -1.925 12.190 1.00 0.00 C ATOM 795 CD2 TYR A 55 -3.542 -0.218 12.301 1.00 0.00 C ATOM 796 CE1 TYR A 55 -4.988 -2.226 13.522 1.00 0.00 C ATOM 797 CE2 TYR A 55 -3.321 -0.513 13.632 1.00 0.00 C ATOM 798 CZ TYR A 55 -4.046 -1.517 14.238 1.00 0.00 C ATOM 799 OH TYR A 55 -3.830 -1.813 15.564 1.00 0.00 O ATOM 0 H TYR A 55 -3.713 -3.361 10.251 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.654 -1.537 8.170 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.271 0.374 9.873 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.795 -0.490 9.930 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.940 -2.482 11.632 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.973 0.570 11.830 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.555 -3.012 13.999 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.584 0.040 14.195 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.134 -1.223 15.922 1.00 0.00 H new ATOM 809 N ALA A 56 -2.306 -0.267 8.404 1.00 0.00 N ATOM 810 CA ALA A 56 -0.906 0.065 8.170 1.00 0.00 C ATOM 811 C ALA A 56 -0.706 1.574 8.089 1.00 0.00 C ATOM 812 O ALA A 56 -1.663 2.329 7.917 1.00 0.00 O ATOM 813 CB ALA A 56 -0.412 -0.604 6.896 1.00 0.00 C ATOM 0 H ALA A 56 -2.965 0.457 8.118 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.324 -0.307 9.013 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.635 -0.348 6.733 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.510 -1.685 6.991 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.006 -0.259 6.050 1.00 0.00 H new ATOM 819 N PHE A 57 0.544 2.008 8.215 1.00 0.00 N ATOM 820 CA PHE A 57 0.869 3.428 8.158 1.00 0.00 C ATOM 821 C PHE A 57 1.884 3.710 7.053 1.00 0.00 C ATOM 822 O PHE A 57 3.053 3.341 7.162 1.00 0.00 O ATOM 823 CB PHE A 57 1.420 3.902 9.505 1.00 0.00 C ATOM 824 CG PHE A 57 0.379 3.976 10.585 1.00 0.00 C ATOM 825 CD1 PHE A 57 -0.514 5.035 10.633 1.00 0.00 C ATOM 826 CD2 PHE A 57 0.293 2.988 11.552 1.00 0.00 C ATOM 827 CE1 PHE A 57 -1.473 5.107 11.626 1.00 0.00 C ATOM 828 CE2 PHE A 57 -0.664 3.054 12.547 1.00 0.00 C ATOM 829 CZ PHE A 57 -1.547 4.115 12.585 1.00 0.00 C ATOM 0 H PHE A 57 1.348 1.397 8.357 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.047 3.976 7.935 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.214 3.226 9.822 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.871 4.886 9.378 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.460 5.813 9.886 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.982 2.156 11.528 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.163 5.937 11.652 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.721 2.276 13.294 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.294 4.169 13.363 1.00 0.00 H new ATOM 839 N ILE A 58 1.427 4.365 5.991 1.00 0.00 N ATOM 840 CA ILE A 58 2.294 4.696 4.868 1.00 0.00 C ATOM 841 C ILE A 58 2.818 6.124 4.980 1.00 0.00 C ATOM 842 O ILE A 58 2.102 7.025 5.414 1.00 0.00 O ATOM 843 CB ILE A 58 1.559 4.536 3.523 1.00 0.00 C ATOM 844 CG1 ILE A 58 0.665 3.295 3.551 1.00 0.00 C ATOM 845 CG2 ILE A 58 2.560 4.448 2.380 1.00 0.00 C ATOM 846 CD1 ILE A 58 1.374 2.049 4.033 1.00 0.00 C ATOM 0 H ILE A 58 0.462 4.677 5.885 1.00 0.00 H new ATOM 0 HA ILE A 58 3.132 4.000 4.901 1.00 0.00 H new ATOM 0 HB ILE A 58 0.930 5.411 3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.191 3.489 4.197 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.274 3.116 2.549 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.026 4.335 1.437 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.160 5.358 2.351 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.212 3.588 2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.679 1.209 4.027 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.214 1.830 3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.741 2.208 5.047 1.00 0.00 H new ATOM 858 N GLU A 59 4.072 6.321 4.585 1.00 0.00 N ATOM 859 CA GLU A 59 4.692 7.639 4.641 1.00 0.00 C ATOM 860 C GLU A 59 5.164 8.078 3.257 1.00 0.00 C ATOM 861 O GLU A 59 5.652 7.267 2.470 1.00 0.00 O ATOM 862 CB GLU A 59 5.871 7.632 5.616 1.00 0.00 C ATOM 863 CG GLU A 59 6.125 8.978 6.273 1.00 0.00 C ATOM 864 CD GLU A 59 7.413 9.003 7.074 1.00 0.00 C ATOM 865 OE1 GLU A 59 8.437 8.500 6.565 1.00 0.00 O ATOM 866 OE2 GLU A 59 7.397 9.523 8.209 1.00 0.00 O ATOM 0 H GLU A 59 4.678 5.585 4.223 1.00 0.00 H new ATOM 0 HA GLU A 59 3.944 8.349 4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.686 6.888 6.391 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.770 7.322 5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.164 9.751 5.506 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.289 9.222 6.929 1.00 0.00 H new ATOM 873 N PHE A 60 5.015 9.366 2.969 1.00 0.00 N ATOM 874 CA PHE A 60 5.424 9.913 1.680 1.00 0.00 C ATOM 875 C PHE A 60 6.268 11.171 1.867 1.00 0.00 C ATOM 876 O PHE A 60 6.605 11.544 2.990 1.00 0.00 O ATOM 877 CB PHE A 60 4.196 10.232 0.825 1.00 0.00 C ATOM 878 CG PHE A 60 3.383 9.020 0.468 1.00 0.00 C ATOM 879 CD1 PHE A 60 2.694 8.321 1.445 1.00 0.00 C ATOM 880 CD2 PHE A 60 3.309 8.581 -0.844 1.00 0.00 C ATOM 881 CE1 PHE A 60 1.944 7.206 1.121 1.00 0.00 C ATOM 882 CE2 PHE A 60 2.561 7.467 -1.174 1.00 0.00 C ATOM 883 CZ PHE A 60 1.878 6.778 -0.190 1.00 0.00 C ATOM 0 H PHE A 60 4.614 10.051 3.610 1.00 0.00 H new ATOM 0 HA PHE A 60 6.028 9.163 1.170 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.563 10.939 1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.519 10.726 -0.091 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.743 8.651 2.472 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.842 9.115 -1.617 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.410 6.670 1.892 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.510 7.135 -2.200 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.294 5.906 -0.446 1.00 0.00 H new ATOM 893 N ALA A 61 6.607 11.818 0.757 1.00 0.00 N ATOM 894 CA ALA A 61 7.411 13.034 0.797 1.00 0.00 C ATOM 895 C ALA A 61 6.565 14.238 1.199 1.00 0.00 C ATOM 896 O ALA A 61 7.070 15.194 1.788 1.00 0.00 O ATOM 897 CB ALA A 61 8.069 13.276 -0.553 1.00 0.00 C ATOM 0 H ALA A 61 6.338 11.521 -0.181 1.00 0.00 H new ATOM 0 HA ALA A 61 8.189 12.902 1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.666 14.187 -0.509 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.713 12.432 -0.801 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.300 13.383 -1.318 1.00 0.00 H new ATOM 903 N SER A 62 5.277 14.184 0.877 1.00 0.00 N ATOM 904 CA SER A 62 4.362 15.273 1.201 1.00 0.00 C ATOM 905 C SER A 62 2.933 14.919 0.800 1.00 0.00 C ATOM 906 O SER A 62 2.690 13.893 0.164 1.00 0.00 O ATOM 907 CB SER A 62 4.797 16.559 0.497 1.00 0.00 C ATOM 908 OG SER A 62 5.690 17.306 1.306 1.00 0.00 O ATOM 0 H SER A 62 4.843 13.398 0.392 1.00 0.00 H new ATOM 0 HA SER A 62 4.390 15.430 2.279 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.278 16.314 -0.450 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.921 17.164 0.263 1.00 0.00 H new ATOM 0 HG SER A 62 6.384 16.712 1.661 1.00 0.00 H new ATOM 914 N PHE A 63 1.990 15.776 1.177 1.00 0.00 N ATOM 915 CA PHE A 63 0.584 15.555 0.859 1.00 0.00 C ATOM 916 C PHE A 63 0.405 15.245 -0.624 1.00 0.00 C ATOM 917 O PHE A 63 -0.628 14.719 -1.038 1.00 0.00 O ATOM 918 CB PHE A 63 -0.246 16.782 1.239 1.00 0.00 C ATOM 919 CG PHE A 63 -1.493 16.941 0.417 1.00 0.00 C ATOM 920 CD1 PHE A 63 -2.544 16.049 0.549 1.00 0.00 C ATOM 921 CD2 PHE A 63 -1.613 17.983 -0.488 1.00 0.00 C ATOM 922 CE1 PHE A 63 -3.692 16.192 -0.207 1.00 0.00 C ATOM 923 CE2 PHE A 63 -2.759 18.132 -1.247 1.00 0.00 C ATOM 924 CZ PHE A 63 -3.800 17.236 -1.106 1.00 0.00 C ATOM 0 H PHE A 63 2.174 16.630 1.703 1.00 0.00 H new ATOM 0 HA PHE A 63 0.237 14.698 1.436 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.521 16.713 2.292 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.369 17.675 1.128 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.466 15.232 1.251 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.802 18.687 -0.602 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.504 15.489 -0.095 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.840 18.948 -1.949 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.697 17.351 -1.697 1.00 0.00 H new ATOM 934 N GLU A 64 1.418 15.577 -1.419 1.00 0.00 N ATOM 935 CA GLU A 64 1.371 15.335 -2.856 1.00 0.00 C ATOM 936 C GLU A 64 1.592 13.858 -3.167 1.00 0.00 C ATOM 937 O GLU A 64 0.659 13.143 -3.535 1.00 0.00 O ATOM 938 CB GLU A 64 2.425 16.182 -3.572 1.00 0.00 C ATOM 939 CG GLU A 64 1.909 17.535 -4.033 1.00 0.00 C ATOM 940 CD GLU A 64 2.645 18.055 -5.253 1.00 0.00 C ATOM 941 OE1 GLU A 64 2.938 17.246 -6.158 1.00 0.00 O ATOM 942 OE2 GLU A 64 2.927 19.270 -5.303 1.00 0.00 O ATOM 0 H GLU A 64 2.280 16.014 -1.092 1.00 0.00 H new ATOM 0 HA GLU A 64 0.382 15.619 -3.214 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.272 16.334 -2.903 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.796 15.631 -4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.846 17.456 -4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.008 18.254 -3.220 1.00 0.00 H new ATOM 949 N ASP A 65 2.833 13.407 -3.018 1.00 0.00 N ATOM 950 CA ASP A 65 3.178 12.015 -3.282 1.00 0.00 C ATOM 951 C ASP A 65 2.166 11.073 -2.639 1.00 0.00 C ATOM 952 O ASP A 65 1.762 10.077 -3.238 1.00 0.00 O ATOM 953 CB ASP A 65 4.583 11.708 -2.761 1.00 0.00 C ATOM 954 CG ASP A 65 5.666 12.136 -3.731 1.00 0.00 C ATOM 955 OD1 ASP A 65 5.692 11.609 -4.863 1.00 0.00 O ATOM 956 OD2 ASP A 65 6.489 12.998 -3.358 1.00 0.00 O ATOM 0 H ASP A 65 3.617 13.985 -2.716 1.00 0.00 H new ATOM 0 HA ASP A 65 3.157 11.859 -4.361 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.732 12.214 -1.807 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.671 10.638 -2.571 1.00 0.00 H new ATOM 961 N ALA A 66 1.760 11.395 -1.414 1.00 0.00 N ATOM 962 CA ALA A 66 0.795 10.578 -0.690 1.00 0.00 C ATOM 963 C ALA A 66 -0.549 10.547 -1.411 1.00 0.00 C ATOM 964 O ALA A 66 -1.166 9.491 -1.550 1.00 0.00 O ATOM 965 CB ALA A 66 0.622 11.098 0.729 1.00 0.00 C ATOM 0 H ALA A 66 2.085 12.216 -0.903 1.00 0.00 H new ATOM 0 HA ALA A 66 1.179 9.559 -0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.102 10.478 1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.579 11.062 1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.264 12.127 0.698 1.00 0.00 H new ATOM 971 N LYS A 67 -0.997 11.711 -1.868 1.00 0.00 N ATOM 972 CA LYS A 67 -2.267 11.818 -2.575 1.00 0.00 C ATOM 973 C LYS A 67 -2.193 11.129 -3.934 1.00 0.00 C ATOM 974 O LYS A 67 -3.210 10.703 -4.480 1.00 0.00 O ATOM 975 CB LYS A 67 -2.650 13.289 -2.757 1.00 0.00 C ATOM 976 CG LYS A 67 -3.863 13.495 -3.648 1.00 0.00 C ATOM 977 CD LYS A 67 -5.149 13.103 -2.939 1.00 0.00 C ATOM 978 CE LYS A 67 -5.423 14.001 -1.743 1.00 0.00 C ATOM 979 NZ LYS A 67 -6.856 13.968 -1.340 1.00 0.00 N ATOM 0 H LYS A 67 -0.499 12.595 -1.761 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.031 11.321 -1.977 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.849 13.728 -1.779 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.802 13.827 -3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.918 14.540 -3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.753 12.903 -4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.983 13.162 -3.638 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.082 12.066 -2.609 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.803 13.687 -0.904 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.137 15.025 -1.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.001 14.593 -0.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.447 14.292 -2.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.122 12.996 -1.084 1.00 0.00 H new ATOM 993 N GLU A 68 -0.982 11.023 -4.474 1.00 0.00 N ATOM 994 CA GLU A 68 -0.777 10.385 -5.769 1.00 0.00 C ATOM 995 C GLU A 68 -1.048 8.886 -5.686 1.00 0.00 C ATOM 996 O GLU A 68 -1.598 8.292 -6.612 1.00 0.00 O ATOM 997 CB GLU A 68 0.651 10.630 -6.262 1.00 0.00 C ATOM 998 CG GLU A 68 0.974 9.918 -7.565 1.00 0.00 C ATOM 999 CD GLU A 68 2.009 10.657 -8.391 1.00 0.00 C ATOM 1000 OE1 GLU A 68 2.186 11.873 -8.170 1.00 0.00 O ATOM 1001 OE2 GLU A 68 2.642 10.019 -9.259 1.00 0.00 O ATOM 0 H GLU A 68 -0.129 11.370 -4.035 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.479 10.825 -6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.802 11.701 -6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.353 10.303 -5.495 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.338 8.914 -7.346 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.061 9.805 -8.149 1.00 0.00 H new ATOM 1008 N ALA A 69 -0.658 8.281 -4.569 1.00 0.00 N ATOM 1009 CA ALA A 69 -0.860 6.852 -4.363 1.00 0.00 C ATOM 1010 C ALA A 69 -2.193 6.580 -3.675 1.00 0.00 C ATOM 1011 O ALA A 69 -2.796 5.523 -3.864 1.00 0.00 O ATOM 1012 CB ALA A 69 0.286 6.269 -3.549 1.00 0.00 C ATOM 0 H ALA A 69 -0.200 8.758 -3.793 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.880 6.368 -5.339 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.122 5.201 -3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.225 6.423 -4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.333 6.765 -2.580 1.00 0.00 H new ATOM 1018 N LEU A 70 -2.647 7.538 -2.875 1.00 0.00 N ATOM 1019 CA LEU A 70 -3.910 7.401 -2.157 1.00 0.00 C ATOM 1020 C LEU A 70 -5.092 7.454 -3.120 1.00 0.00 C ATOM 1021 O LEU A 70 -6.169 6.939 -2.824 1.00 0.00 O ATOM 1022 CB LEU A 70 -4.044 8.504 -1.106 1.00 0.00 C ATOM 1023 CG LEU A 70 -5.471 8.884 -0.710 1.00 0.00 C ATOM 1024 CD1 LEU A 70 -6.093 7.796 0.152 1.00 0.00 C ATOM 1025 CD2 LEU A 70 -5.485 10.219 0.021 1.00 0.00 C ATOM 0 H LEU A 70 -2.160 8.418 -2.707 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.914 6.431 -1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.511 8.190 -0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.542 9.397 -1.479 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.065 8.984 -1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.108 8.084 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.118 6.860 -0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.499 7.664 1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.509 10.473 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.876 10.147 0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.080 10.994 -0.630 1.00 0.00 H new ATOM 1037 N ASN A 71 -4.881 8.078 -4.274 1.00 0.00 N ATOM 1038 CA ASN A 71 -5.929 8.196 -5.281 1.00 0.00 C ATOM 1039 C ASN A 71 -6.048 6.912 -6.096 1.00 0.00 C ATOM 1040 O ASN A 71 -7.143 6.520 -6.499 1.00 0.00 O ATOM 1041 CB ASN A 71 -5.642 9.378 -6.210 1.00 0.00 C ATOM 1042 CG ASN A 71 -6.221 10.678 -5.687 1.00 0.00 C ATOM 1043 OD1 ASN A 71 -7.361 10.721 -5.223 1.00 0.00 O ATOM 1044 ND2 ASN A 71 -5.437 11.747 -5.761 1.00 0.00 N ATOM 0 H ASN A 71 -3.994 8.510 -4.535 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.874 8.368 -4.767 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.564 9.487 -6.333 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.056 9.170 -7.197 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.773 12.650 -5.426 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.499 11.665 -6.153 1.00 0.00 H new ATOM 1051 N SER A 72 -4.914 6.261 -6.334 1.00 0.00 N ATOM 1052 CA SER A 72 -4.889 5.023 -7.103 1.00 0.00 C ATOM 1053 C SER A 72 -5.006 3.810 -6.184 1.00 0.00 C ATOM 1054 O SER A 72 -5.998 3.081 -6.224 1.00 0.00 O ATOM 1055 CB SER A 72 -3.602 4.932 -7.924 1.00 0.00 C ATOM 1056 OG SER A 72 -3.786 4.127 -9.075 1.00 0.00 O ATOM 0 H SER A 72 -4.000 6.571 -6.005 1.00 0.00 H new ATOM 0 HA SER A 72 -5.743 5.029 -7.780 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.286 5.932 -8.223 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.804 4.516 -7.309 1.00 0.00 H new ATOM 0 HG SER A 72 -2.949 4.087 -9.583 1.00 0.00 H new ATOM 1062 N CYS A 73 -3.987 3.602 -5.358 1.00 0.00 N ATOM 1063 CA CYS A 73 -3.974 2.477 -4.429 1.00 0.00 C ATOM 1064 C CYS A 73 -5.339 2.298 -3.772 1.00 0.00 C ATOM 1065 O CYS A 73 -5.727 1.186 -3.417 1.00 0.00 O ATOM 1066 CB CYS A 73 -2.903 2.687 -3.358 1.00 0.00 C ATOM 1067 SG CYS A 73 -1.219 2.796 -4.009 1.00 0.00 S ATOM 0 H CYS A 73 -3.160 4.197 -5.312 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.742 1.574 -4.993 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.128 3.601 -2.808 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.952 1.865 -2.644 1.00 0.00 H new ATOM 0 HG CYS A 73 -0.375 2.853 -3.022 1.00 0.00 H new ATOM 1073 N ASN A 74 -6.062 3.402 -3.613 1.00 0.00 N ATOM 1074 CA ASN A 74 -7.384 3.368 -2.996 1.00 0.00 C ATOM 1075 C ASN A 74 -8.121 2.083 -3.362 1.00 0.00 C ATOM 1076 O ASN A 74 -8.330 1.787 -4.539 1.00 0.00 O ATOM 1077 CB ASN A 74 -8.205 4.582 -3.433 1.00 0.00 C ATOM 1078 CG ASN A 74 -9.215 5.005 -2.383 1.00 0.00 C ATOM 1079 OD1 ASN A 74 -10.413 5.085 -2.656 1.00 0.00 O ATOM 1080 ND2 ASN A 74 -8.735 5.277 -1.176 1.00 0.00 N ATOM 0 H ASN A 74 -5.755 4.331 -3.902 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.254 3.397 -1.914 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.534 5.414 -3.644 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.726 4.350 -4.362 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.367 5.566 -0.429 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.734 5.197 -0.995 1.00 0.00 H new ATOM 1087 N LYS A 75 -8.513 1.323 -2.345 1.00 0.00 N ATOM 1088 CA LYS A 75 -9.229 0.070 -2.558 1.00 0.00 C ATOM 1089 C LYS A 75 -8.420 -0.877 -3.437 1.00 0.00 C ATOM 1090 O LYS A 75 -8.903 -1.349 -4.466 1.00 0.00 O ATOM 1091 CB LYS A 75 -10.592 0.341 -3.200 1.00 0.00 C ATOM 1092 CG LYS A 75 -11.459 1.302 -2.406 1.00 0.00 C ATOM 1093 CD LYS A 75 -12.777 1.577 -3.111 1.00 0.00 C ATOM 1094 CE LYS A 75 -12.671 2.774 -4.043 1.00 0.00 C ATOM 1095 NZ LYS A 75 -14.000 3.184 -4.573 1.00 0.00 N ATOM 0 H LYS A 75 -8.347 1.553 -1.365 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.379 -0.403 -1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.439 0.745 -4.201 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.124 -0.603 -3.316 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.654 0.886 -1.418 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.923 2.239 -2.257 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.077 0.697 -3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.556 1.759 -2.371 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.219 3.610 -3.510 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.008 2.530 -4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.885 4.003 -5.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.421 2.395 -5.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.625 3.442 -3.782 1.00 0.00 H new ATOM 1109 N ARG A 76 -7.187 -1.152 -3.024 1.00 0.00 N ATOM 1110 CA ARG A 76 -6.311 -2.043 -3.775 1.00 0.00 C ATOM 1111 C ARG A 76 -6.492 -3.490 -3.325 1.00 0.00 C ATOM 1112 O ARG A 76 -6.329 -3.808 -2.148 1.00 0.00 O ATOM 1113 CB ARG A 76 -4.850 -1.623 -3.601 1.00 0.00 C ATOM 1114 CG ARG A 76 -3.859 -2.593 -4.225 1.00 0.00 C ATOM 1115 CD ARG A 76 -3.595 -2.257 -5.684 1.00 0.00 C ATOM 1116 NE ARG A 76 -2.259 -2.666 -6.107 1.00 0.00 N ATOM 1117 CZ ARG A 76 -1.847 -2.640 -7.369 1.00 0.00 C ATOM 1118 NH1 ARG A 76 -2.663 -2.225 -8.328 1.00 0.00 N ATOM 1119 NH2 ARG A 76 -0.615 -3.028 -7.675 1.00 0.00 N ATOM 0 H ARG A 76 -6.772 -0.771 -2.174 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.580 -1.972 -4.829 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.709 -0.637 -4.044 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.632 -1.528 -2.537 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.922 -2.566 -3.669 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.246 -3.609 -4.149 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.340 -2.749 -6.310 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.710 -1.184 -5.835 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.606 -2.990 -5.394 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.610 -1.925 -8.097 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.344 -2.206 -9.297 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.017 -3.347 -6.940 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.300 -3.007 -8.645 1.00 0.00 H new ATOM 1133 N GLU A 77 -6.832 -4.361 -4.271 1.00 0.00 N ATOM 1134 CA GLU A 77 -7.037 -5.773 -3.970 1.00 0.00 C ATOM 1135 C GLU A 77 -5.707 -6.470 -3.698 1.00 0.00 C ATOM 1136 O GLU A 77 -4.942 -6.751 -4.620 1.00 0.00 O ATOM 1137 CB GLU A 77 -7.760 -6.464 -5.128 1.00 0.00 C ATOM 1138 CG GLU A 77 -9.275 -6.405 -5.022 1.00 0.00 C ATOM 1139 CD GLU A 77 -9.958 -6.494 -6.373 1.00 0.00 C ATOM 1140 OE1 GLU A 77 -9.885 -5.512 -7.142 1.00 0.00 O ATOM 1141 OE2 GLU A 77 -10.565 -7.546 -6.662 1.00 0.00 O ATOM 0 H GLU A 77 -6.971 -4.114 -5.251 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.653 -5.841 -3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.452 -6.001 -6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.447 -7.507 -5.169 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.623 -7.221 -4.389 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.565 -5.475 -4.533 1.00 0.00 H new ATOM 1148 N ILE A 78 -5.439 -6.744 -2.425 1.00 0.00 N ATOM 1149 CA ILE A 78 -4.203 -7.408 -2.032 1.00 0.00 C ATOM 1150 C ILE A 78 -4.490 -8.686 -1.251 1.00 0.00 C ATOM 1151 O ILE A 78 -5.265 -8.680 -0.295 1.00 0.00 O ATOM 1152 CB ILE A 78 -3.317 -6.484 -1.175 1.00 0.00 C ATOM 1153 CG1 ILE A 78 -3.009 -5.190 -1.931 1.00 0.00 C ATOM 1154 CG2 ILE A 78 -2.029 -7.197 -0.788 1.00 0.00 C ATOM 1155 CD1 ILE A 78 -1.984 -4.317 -1.243 1.00 0.00 C ATOM 0 H ILE A 78 -6.061 -6.516 -1.649 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.672 -7.658 -2.951 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.858 -6.229 -0.263 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.650 -5.439 -2.930 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.932 -4.623 -2.056 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.413 -6.532 -0.183 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.267 -8.093 -0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.483 -7.477 -1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.816 -3.418 -1.835 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.349 -4.037 -0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.048 -4.866 -1.142 1.00 0.00 H new ATOM 1167 N GLU A 79 -3.858 -9.780 -1.665 1.00 0.00 N ATOM 1168 CA GLU A 79 -4.046 -11.066 -1.003 1.00 0.00 C ATOM 1169 C GLU A 79 -5.521 -11.453 -0.974 1.00 0.00 C ATOM 1170 O GLU A 79 -5.980 -12.125 -0.052 1.00 0.00 O ATOM 1171 CB GLU A 79 -3.492 -11.016 0.423 1.00 0.00 C ATOM 1172 CG GLU A 79 -1.989 -10.804 0.485 1.00 0.00 C ATOM 1173 CD GLU A 79 -1.212 -12.102 0.380 1.00 0.00 C ATOM 1174 OE1 GLU A 79 -1.757 -13.077 -0.178 1.00 0.00 O ATOM 1175 OE2 GLU A 79 -0.058 -12.142 0.856 1.00 0.00 O ATOM 0 H GLU A 79 -3.212 -9.802 -2.454 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.502 -11.821 -1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.987 -10.212 0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.741 -11.947 0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.686 -10.137 -0.322 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.734 -10.307 1.421 1.00 0.00 H new ATOM 1182 N GLY A 80 -6.260 -11.022 -1.992 1.00 0.00 N ATOM 1183 CA GLY A 80 -7.676 -11.332 -2.065 1.00 0.00 C ATOM 1184 C GLY A 80 -8.507 -10.472 -1.133 1.00 0.00 C ATOM 1185 O GLY A 80 -9.641 -10.819 -0.803 1.00 0.00 O ATOM 0 H GLY A 80 -5.903 -10.464 -2.767 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.023 -11.193 -3.089 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.828 -12.383 -1.817 1.00 0.00 H new ATOM 1189 N ARG A 81 -7.940 -9.348 -0.706 1.00 0.00 N ATOM 1190 CA ARG A 81 -8.635 -8.438 0.196 1.00 0.00 C ATOM 1191 C ARG A 81 -8.399 -6.986 -0.209 1.00 0.00 C ATOM 1192 O ARG A 81 -7.260 -6.525 -0.271 1.00 0.00 O ATOM 1193 CB ARG A 81 -8.169 -8.658 1.637 1.00 0.00 C ATOM 1194 CG ARG A 81 -8.941 -9.744 2.367 1.00 0.00 C ATOM 1195 CD ARG A 81 -8.994 -9.480 3.864 1.00 0.00 C ATOM 1196 NE ARG A 81 -10.006 -10.296 4.529 1.00 0.00 N ATOM 1197 CZ ARG A 81 -10.557 -9.977 5.694 1.00 0.00 C ATOM 1198 NH1 ARG A 81 -10.197 -8.866 6.321 1.00 0.00 N ATOM 1199 NH2 ARG A 81 -11.473 -10.771 6.236 1.00 0.00 N ATOM 0 H ARG A 81 -7.002 -9.046 -0.970 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.703 -8.647 0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.110 -8.917 1.632 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.265 -7.722 2.188 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.955 -9.800 1.970 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.473 -10.711 2.183 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.018 -9.685 4.303 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.207 -8.425 4.039 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.306 -11.158 4.074 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.494 -8.252 5.909 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -10.623 -8.625 7.216 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.754 -11.627 5.757 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -11.896 -10.525 7.131 1.00 0.00 H new ATOM 1213 N ALA A 82 -9.485 -6.270 -0.485 1.00 0.00 N ATOM 1214 CA ALA A 82 -9.397 -4.871 -0.883 1.00 0.00 C ATOM 1215 C ALA A 82 -8.916 -4.001 0.273 1.00 0.00 C ATOM 1216 O ALA A 82 -9.479 -4.039 1.367 1.00 0.00 O ATOM 1217 CB ALA A 82 -10.745 -4.380 -1.391 1.00 0.00 C ATOM 0 H ALA A 82 -10.436 -6.637 -0.440 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.668 -4.794 -1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.664 -3.333 -1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.048 -4.976 -2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.489 -4.479 -0.601 1.00 0.00 H new ATOM 1223 N ILE A 83 -7.871 -3.218 0.023 1.00 0.00 N ATOM 1224 CA ILE A 83 -7.316 -2.338 1.044 1.00 0.00 C ATOM 1225 C ILE A 83 -7.677 -0.882 0.770 1.00 0.00 C ATOM 1226 O ILE A 83 -7.562 -0.405 -0.359 1.00 0.00 O ATOM 1227 CB ILE A 83 -5.783 -2.468 1.125 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -5.128 -1.810 -0.090 1.00 0.00 C ATOM 1229 CG2 ILE A 83 -5.381 -3.932 1.223 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -4.792 -0.350 0.120 1.00 0.00 C ATOM 0 H ILE A 83 -7.392 -3.175 -0.877 1.00 0.00 H new ATOM 0 HA ILE A 83 -7.750 -2.645 1.996 1.00 0.00 H new ATOM 0 HB ILE A 83 -5.436 -1.955 2.022 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.216 -2.352 -0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.796 -1.901 -0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.295 -4.008 1.279 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.823 -4.371 2.117 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.737 -4.467 0.342 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.331 0.051 -0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.704 0.205 0.339 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.099 -0.253 0.956 1.00 0.00 H new ATOM 1242 N ARG A 84 -8.112 -0.180 1.812 1.00 0.00 N ATOM 1243 CA ARG A 84 -8.490 1.222 1.685 1.00 0.00 C ATOM 1244 C ARG A 84 -7.448 2.127 2.336 1.00 0.00 C ATOM 1245 O ARG A 84 -6.762 1.725 3.277 1.00 0.00 O ATOM 1246 CB ARG A 84 -9.860 1.463 2.321 1.00 0.00 C ATOM 1247 CG ARG A 84 -10.503 2.776 1.903 1.00 0.00 C ATOM 1248 CD ARG A 84 -11.598 3.193 2.873 1.00 0.00 C ATOM 1249 NE ARG A 84 -12.808 2.391 2.709 1.00 0.00 N ATOM 1250 CZ ARG A 84 -13.984 2.722 3.230 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -14.109 3.832 3.943 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -15.040 1.941 3.037 1.00 0.00 N ATOM 0 H ARG A 84 -8.211 -0.560 2.753 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.543 1.463 0.623 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.525 0.641 2.054 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.755 1.449 3.406 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.743 3.555 1.854 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.921 2.675 0.902 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -11.233 3.095 3.896 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -11.837 4.245 2.720 1.00 0.00 H new ATOM 0 HE ARG A 84 -12.746 1.530 2.165 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -13.300 4.435 4.093 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -15.014 4.083 4.342 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -14.949 1.086 2.488 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -15.943 2.196 3.437 1.00 0.00 H new ATOM 1266 N LEU A 85 -7.335 3.350 1.830 1.00 0.00 N ATOM 1267 CA LEU A 85 -6.377 4.312 2.362 1.00 0.00 C ATOM 1268 C LEU A 85 -7.075 5.602 2.780 1.00 0.00 C ATOM 1269 O LEU A 85 -7.944 6.106 2.070 1.00 0.00 O ATOM 1270 CB LEU A 85 -5.299 4.617 1.321 1.00 0.00 C ATOM 1271 CG LEU A 85 -4.473 3.424 0.840 1.00 0.00 C ATOM 1272 CD1 LEU A 85 -4.014 3.635 -0.594 1.00 0.00 C ATOM 1273 CD2 LEU A 85 -3.279 3.197 1.756 1.00 0.00 C ATOM 0 H LEU A 85 -7.895 3.699 1.052 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.909 3.872 3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.778 5.074 0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.619 5.359 1.739 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.103 2.535 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.428 2.775 -0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.884 3.746 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.401 4.535 -0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.703 2.344 1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.648 4.086 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.630 2.999 2.769 1.00 0.00 H new ATOM 1285 N GLU A 86 -6.687 6.132 3.936 1.00 0.00 N ATOM 1286 CA GLU A 86 -7.276 7.364 4.447 1.00 0.00 C ATOM 1287 C GLU A 86 -6.211 8.252 5.084 1.00 0.00 C ATOM 1288 O GLU A 86 -5.390 7.787 5.875 1.00 0.00 O ATOM 1289 CB GLU A 86 -8.370 7.047 5.470 1.00 0.00 C ATOM 1290 CG GLU A 86 -9.752 6.902 4.857 1.00 0.00 C ATOM 1291 CD GLU A 86 -10.858 6.951 5.894 1.00 0.00 C ATOM 1292 OE1 GLU A 86 -10.972 7.981 6.591 1.00 0.00 O ATOM 1293 OE2 GLU A 86 -11.609 5.959 6.008 1.00 0.00 O ATOM 0 H GLU A 86 -5.968 5.728 4.536 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.718 7.901 3.608 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.113 6.124 5.990 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.395 7.838 6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.907 7.697 4.128 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.808 5.958 4.316 1.00 0.00 H new ATOM 1300 N LEU A 87 -6.232 9.533 4.733 1.00 0.00 N ATOM 1301 CA LEU A 87 -5.268 10.489 5.269 1.00 0.00 C ATOM 1302 C LEU A 87 -5.405 10.609 6.784 1.00 0.00 C ATOM 1303 O LEU A 87 -6.486 10.897 7.297 1.00 0.00 O ATOM 1304 CB LEU A 87 -5.463 11.859 4.618 1.00 0.00 C ATOM 1305 CG LEU A 87 -5.040 11.972 3.153 1.00 0.00 C ATOM 1306 CD1 LEU A 87 -5.306 13.374 2.627 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -3.571 11.610 2.992 1.00 0.00 C ATOM 0 H LEU A 87 -6.905 9.934 4.080 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.266 10.124 5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.517 12.128 4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.904 12.596 5.195 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.633 11.268 2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.999 13.435 1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.370 13.596 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.740 14.097 3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.288 11.696 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.962 12.288 3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.410 10.586 3.328 1.00 0.00 H new ATOM 1319 N GLN A 88 -4.302 10.387 7.492 1.00 0.00 N ATOM 1320 CA GLN A 88 -4.300 10.472 8.947 1.00 0.00 C ATOM 1321 C GLN A 88 -4.514 11.910 9.409 1.00 0.00 C ATOM 1322 O GLN A 88 -3.787 12.817 9.006 1.00 0.00 O ATOM 1323 CB GLN A 88 -2.982 9.935 9.508 1.00 0.00 C ATOM 1324 CG GLN A 88 -3.108 9.355 10.908 1.00 0.00 C ATOM 1325 CD GLN A 88 -1.767 9.190 11.595 1.00 0.00 C ATOM 1326 OE1 GLN A 88 -1.340 10.051 12.364 1.00 0.00 O ATOM 1327 NE2 GLN A 88 -1.093 8.079 11.319 1.00 0.00 N ATOM 0 H GLN A 88 -3.399 10.147 7.082 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.122 9.863 9.322 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.598 9.166 8.838 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.248 10.740 9.522 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.743 10.005 11.510 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.605 8.386 10.852 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.485 7.391 10.675 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.184 7.913 11.751 1.00 0.00 H new ATOM 1336 N GLY A 89 -5.519 12.110 10.257 1.00 0.00 N ATOM 1337 CA GLY A 89 -5.811 13.440 10.759 1.00 0.00 C ATOM 1338 C GLY A 89 -5.302 13.652 12.171 1.00 0.00 C ATOM 1339 O GLY A 89 -4.890 12.713 12.853 1.00 0.00 O ATOM 0 H GLY A 89 -6.135 11.375 10.605 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.361 14.181 10.099 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.888 13.605 10.736 1.00 0.00 H new ATOM 1343 N PRO A 90 -5.325 14.912 12.630 1.00 0.00 N ATOM 1344 CA PRO A 90 -4.864 15.274 13.974 1.00 0.00 C ATOM 1345 C PRO A 90 -5.796 14.756 15.065 1.00 0.00 C ATOM 1346 O PRO A 90 -6.998 15.019 15.044 1.00 0.00 O ATOM 1347 CB PRO A 90 -4.868 16.804 13.950 1.00 0.00 C ATOM 1348 CG PRO A 90 -5.874 17.165 12.912 1.00 0.00 C ATOM 1349 CD PRO A 90 -5.803 16.081 11.872 1.00 0.00 C ATOM 0 HA PRO A 90 -3.890 14.840 14.202 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.139 17.214 14.923 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.883 17.198 13.701 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.873 17.228 13.342 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.653 18.139 12.476 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.776 15.895 11.418 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.120 16.343 11.064 1.00 0.00 H new ATOM 1357 N ARG A 91 -5.232 14.018 16.016 1.00 0.00 N ATOM 1358 CA ARG A 91 -6.013 13.463 17.115 1.00 0.00 C ATOM 1359 C ARG A 91 -6.039 14.421 18.302 1.00 0.00 C ATOM 1360 O ARG A 91 -5.120 15.217 18.491 1.00 0.00 O ATOM 1361 CB ARG A 91 -5.436 12.114 17.548 1.00 0.00 C ATOM 1362 CG ARG A 91 -5.391 11.084 16.431 1.00 0.00 C ATOM 1363 CD ARG A 91 -6.674 10.269 16.372 1.00 0.00 C ATOM 1364 NE ARG A 91 -6.976 9.822 15.015 1.00 0.00 N ATOM 1365 CZ ARG A 91 -7.527 10.600 14.090 1.00 0.00 C ATOM 1366 NH1 ARG A 91 -7.833 11.858 14.374 1.00 0.00 N ATOM 1367 NH2 ARG A 91 -7.772 10.120 12.877 1.00 0.00 N ATOM 0 H ARG A 91 -4.238 13.791 16.047 1.00 0.00 H new ATOM 0 HA ARG A 91 -7.035 13.318 16.764 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.427 12.266 17.931 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.033 11.720 18.370 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.234 11.587 15.477 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.542 10.418 16.583 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.584 9.403 17.027 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.502 10.869 16.749 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.751 8.859 14.764 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.645 12.231 15.305 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.256 12.453 13.662 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.537 9.153 12.654 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.195 10.718 12.168 1.00 0.00 H new ATOM 1381 N GLY A 92 -7.100 14.339 19.100 1.00 0.00 N ATOM 1382 CA GLY A 92 -7.226 15.204 20.258 1.00 0.00 C ATOM 1383 C GLY A 92 -7.952 14.533 21.407 1.00 0.00 C ATOM 1384 O GLY A 92 -8.088 13.310 21.434 1.00 0.00 O ATOM 0 H GLY A 92 -7.874 13.689 18.965 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.233 15.510 20.589 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.761 16.110 19.974 1.00 0.00 H new ATOM 1388 N SER A 93 -8.418 15.335 22.359 1.00 0.00 N ATOM 1389 CA SER A 93 -9.129 14.810 23.519 1.00 0.00 C ATOM 1390 C SER A 93 -8.167 14.117 24.479 1.00 0.00 C ATOM 1391 O SER A 93 -8.364 12.968 24.875 1.00 0.00 O ATOM 1392 CB SER A 93 -10.219 13.832 23.077 1.00 0.00 C ATOM 1393 OG SER A 93 -11.160 13.614 24.113 1.00 0.00 O ATOM 0 H SER A 93 -8.316 16.350 22.350 1.00 0.00 H new ATOM 0 HA SER A 93 -9.592 15.648 24.039 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.728 14.224 22.196 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.766 12.884 22.788 1.00 0.00 H new ATOM 0 HG SER A 93 -10.698 13.280 24.910 1.00 0.00 H new ATOM 1399 N PRO A 94 -7.098 14.832 24.862 1.00 0.00 N ATOM 1400 CA PRO A 94 -6.083 14.307 25.780 1.00 0.00 C ATOM 1401 C PRO A 94 -6.611 14.151 27.202 1.00 0.00 C ATOM 1402 O PRO A 94 -6.315 13.169 27.880 1.00 0.00 O ATOM 1403 CB PRO A 94 -4.980 15.367 25.733 1.00 0.00 C ATOM 1404 CG PRO A 94 -5.678 16.623 25.342 1.00 0.00 C ATOM 1405 CD PRO A 94 -6.799 16.207 24.430 1.00 0.00 C ATOM 0 HA PRO A 94 -5.749 13.311 25.491 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -4.490 15.471 26.701 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -4.207 15.102 25.011 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.061 17.145 26.218 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -4.997 17.307 24.836 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.666 16.859 24.536 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.499 16.243 23.383 1.00 0.00 H new ATOM 1413 N ASN A 95 -7.397 15.127 27.646 1.00 0.00 N ATOM 1414 CA ASN A 95 -7.967 15.098 28.988 1.00 0.00 C ATOM 1415 C ASN A 95 -8.777 13.824 29.208 1.00 0.00 C ATOM 1416 O ASN A 95 -9.416 13.316 28.286 1.00 0.00 O ATOM 1417 CB ASN A 95 -8.853 16.325 29.215 1.00 0.00 C ATOM 1418 CG ASN A 95 -9.393 16.394 30.630 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -10.521 15.980 30.897 1.00 0.00 O ATOM 1420 ND2 ASN A 95 -8.587 16.920 31.546 1.00 0.00 N ATOM 0 H ASN A 95 -7.653 15.947 27.096 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.146 15.113 29.705 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.280 17.228 29.003 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.686 16.304 28.512 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.896 16.993 32.515 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.660 17.251 31.280 1.00 0.00 H new ATOM 1427 N SER A 96 -8.746 13.314 30.435 1.00 0.00 N ATOM 1428 CA SER A 96 -9.474 12.097 30.775 1.00 0.00 C ATOM 1429 C SER A 96 -10.977 12.357 30.815 1.00 0.00 C ATOM 1430 O SER A 96 -11.769 11.570 30.297 1.00 0.00 O ATOM 1431 CB SER A 96 -9.003 11.556 32.126 1.00 0.00 C ATOM 1432 OG SER A 96 -7.832 10.771 31.981 1.00 0.00 O ATOM 0 H SER A 96 -8.225 13.724 31.210 1.00 0.00 H new ATOM 0 HA SER A 96 -9.271 11.354 30.004 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.807 12.386 32.805 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.793 10.956 32.576 1.00 0.00 H new ATOM 0 HG SER A 96 -7.550 10.438 32.859 1.00 0.00 H new ATOM 1438 N GLY A 97 -11.363 13.468 31.435 1.00 0.00 N ATOM 1439 CA GLY A 97 -12.769 13.814 31.532 1.00 0.00 C ATOM 1440 C GLY A 97 -13.502 12.977 32.563 1.00 0.00 C ATOM 1441 O GLY A 97 -14.391 12.191 32.237 1.00 0.00 O ATOM 0 H GLY A 97 -10.727 14.135 31.872 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.864 14.869 31.791 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -13.241 13.681 30.558 1.00 0.00 H new ATOM 1445 N PRO A 98 -13.126 13.142 33.840 1.00 0.00 N ATOM 1446 CA PRO A 98 -13.740 12.404 34.947 1.00 0.00 C ATOM 1447 C PRO A 98 -15.176 12.843 35.211 1.00 0.00 C ATOM 1448 O PRO A 98 -15.415 13.876 35.835 1.00 0.00 O ATOM 1449 CB PRO A 98 -12.848 12.750 36.142 1.00 0.00 C ATOM 1450 CG PRO A 98 -12.243 14.067 35.795 1.00 0.00 C ATOM 1451 CD PRO A 98 -12.073 14.063 34.301 1.00 0.00 C ATOM 0 HA PRO A 98 -13.803 11.336 34.739 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -13.427 12.811 37.064 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -12.081 11.991 36.297 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -12.886 14.888 36.113 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -11.285 14.201 36.297 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -12.199 15.060 33.880 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -11.081 13.717 34.010 1.00 0.00 H new ATOM 1459 N SER A 99 -16.130 12.051 34.730 1.00 0.00 N ATOM 1460 CA SER A 99 -17.543 12.360 34.911 1.00 0.00 C ATOM 1461 C SER A 99 -18.288 11.169 35.507 1.00 0.00 C ATOM 1462 O SER A 99 -18.436 10.130 34.863 1.00 0.00 O ATOM 1463 CB SER A 99 -18.176 12.755 33.576 1.00 0.00 C ATOM 1464 OG SER A 99 -19.243 13.668 33.767 1.00 0.00 O ATOM 0 H SER A 99 -15.949 11.191 34.212 1.00 0.00 H new ATOM 0 HA SER A 99 -17.620 13.198 35.604 1.00 0.00 H new ATOM 0 HB2 SER A 99 -17.421 13.204 32.931 1.00 0.00 H new ATOM 0 HB3 SER A 99 -18.543 11.864 33.066 1.00 0.00 H new ATOM 0 HG SER A 99 -19.629 13.906 32.898 1.00 0.00 H new ATOM 1470 N SER A 100 -18.755 11.328 36.741 1.00 0.00 N ATOM 1471 CA SER A 100 -19.481 10.265 37.427 1.00 0.00 C ATOM 1472 C SER A 100 -20.984 10.525 37.394 1.00 0.00 C ATOM 1473 O SER A 100 -21.426 11.647 37.147 1.00 0.00 O ATOM 1474 CB SER A 100 -19.004 10.145 38.875 1.00 0.00 C ATOM 1475 OG SER A 100 -17.702 9.588 38.939 1.00 0.00 O ATOM 0 H SER A 100 -18.644 12.183 37.287 1.00 0.00 H new ATOM 0 HA SER A 100 -19.281 9.328 36.908 1.00 0.00 H new ATOM 0 HB2 SER A 100 -19.005 11.129 39.344 1.00 0.00 H new ATOM 0 HB3 SER A 100 -19.698 9.522 39.439 1.00 0.00 H new ATOM 0 HG SER A 100 -17.419 9.523 39.875 1.00 0.00 H new ATOM 1481 N GLY A 101 -21.765 9.479 37.646 1.00 0.00 N ATOM 1482 CA GLY A 101 -23.210 9.614 37.641 1.00 0.00 C ATOM 1483 C GLY A 101 -23.902 8.470 38.354 1.00 0.00 C ATOM 1484 O GLY A 101 -24.550 7.636 37.722 1.00 0.00 O ATOM 0 H GLY A 101 -21.423 8.541 37.853 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -23.485 10.555 38.118 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -23.564 9.663 36.611 1.00 0.00 H new TER 1488 GLY A 101