USER MOD reduce.3.24.130724 H: found=0, std=0, add=1009, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1016 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 MET CE :methyl -174:sc= 0 (180deg=-0.0787) USER MOD Set 1.2: A 119 MET CE :methyl -164:sc= -0.0172 (180deg=-0.00689) USER MOD Set 1.3: A 128 GLN : amide:sc= 0 K(o=-0.017,f=-1.4) USER MOD Set 2.1: A 94 GLN : amide:sc= 0.958 K(o=2.2,f=-0.033) USER MOD Set 2.2: A 107 THR OG1 : rot -43:sc= 1.21 USER MOD Set 3.1: A 65 GLN : amide:sc= 0.171 K(o=0.35,f=-0.59) USER MOD Set 3.2: A 68 LYS NZ :NH3+ 174:sc= 0.178 (180deg=0) USER MOD Set 4.1: A 62 MET CE :methyl -130:sc= -0.165 (180deg=-0.498) USER MOD Set 4.2: A 95 CYS SG : rot 175:sc= -2.25! USER MOD Set 5.1: A 40 LYS NZ :NH3+ 143:sc= 0.135 (180deg=0.0009) USER MOD Set 5.2: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 5 ASN : amide:sc= 0.722 K(o=0.82,f=-1.9) USER MOD Set 6.2: A 44 GLN : amide:sc= 0.0978 K(o=0.82,f=-0.46) USER MOD Set 7.1: A 13 ASN : amide:sc= 0.337 X(o=0.34,f=0.047) USER MOD Set 7.2: A 37 LYS NZ :NH3+ -176:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 10:sc= 1.24 USER MOD Single : A 9 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.202) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.449 K(o=0.45,f=-1.2) USER MOD Single : A 19 TYR OH : rot 110:sc= 0.0552 USER MOD Single : A 26 ASN : amide:sc= 0.7 K(o=0.7,f=-3!) USER MOD Single : A 31 LYS NZ :NH3+ -179:sc= 0.227 (180deg=0.227) USER MOD Single : A 34 ASN : amide:sc= 0.188 K(o=0.19,f=-4!) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 162:sc= -0.0218 (180deg=-0.639) USER MOD Single : A 55 SER OG : rot 180:sc= -0.109 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 75:sc= 1.22 USER MOD Single : A 85 THR OG1 : rot 167:sc= 0.11 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0.67 K(o=0.67,f=-2.7!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -160:sc= 0.531 (180deg=0.311) USER MOD Single : A 108 GLN : amide:sc= -0.0576 X(o=-0.058,f=-0.44) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 CYS SG : rot 167:sc=-0.00994 USER MOD Single : A 127 LYS NZ :NH3+ 141:sc= 0.124 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ -145:sc= 0.0344 (180deg=0.00109) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 19 N PRO A 1 3.470 -1.742 -0.233 1.00 0.00 N ATOM 20 CA PRO A 1 4.791 -1.124 0.081 1.00 0.00 C ATOM 21 C PRO A 1 5.885 -1.087 -1.042 1.00 0.00 C ATOM 22 O PRO A 1 6.019 -0.052 -1.701 1.00 0.00 O ATOM 23 CB PRO A 1 5.186 -1.818 1.407 1.00 0.00 C ATOM 24 CG PRO A 1 4.325 -3.073 1.499 1.00 0.00 C ATOM 25 CD PRO A 1 3.018 -2.634 0.856 1.00 0.00 C ATOM 0 H2 PRO A 1 3.538 -2.271 -1.102 1.00 0.00 H new ATOM 0 H3 PRO A 1 2.777 -1.009 -0.384 1.00 0.00 H new ATOM 0 HA PRO A 1 4.704 -0.041 0.171 1.00 0.00 H new ATOM 0 HB2 PRO A 1 6.246 -2.071 1.414 1.00 0.00 H new ATOM 0 HB3 PRO A 1 5.010 -1.161 2.259 1.00 0.00 H new ATOM 0 HG2 PRO A 1 4.775 -3.912 0.968 1.00 0.00 H new ATOM 0 HG3 PRO A 1 4.181 -3.390 2.532 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.450 -3.483 0.474 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.374 -2.113 1.564 1.00 0.00 H new ATOM 33 N VAL A 2 6.688 -2.155 -1.217 1.00 0.00 N ATOM 34 CA VAL A 2 7.843 -2.208 -2.173 1.00 0.00 C ATOM 35 C VAL A 2 8.493 -3.637 -2.108 1.00 0.00 C ATOM 36 O VAL A 2 8.850 -4.137 -1.035 1.00 0.00 O ATOM 37 CB VAL A 2 8.908 -1.054 -2.015 1.00 0.00 C ATOM 38 CG1 VAL A 2 9.572 -0.973 -0.630 1.00 0.00 C ATOM 39 CG2 VAL A 2 10.029 -1.064 -3.074 1.00 0.00 C ATOM 0 H VAL A 2 6.562 -3.024 -0.697 1.00 0.00 H new ATOM 0 HA VAL A 2 7.436 -2.025 -3.168 1.00 0.00 H new ATOM 0 HB VAL A 2 8.285 -0.172 -2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.288 -0.151 -0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 2 8.809 -0.802 0.130 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.090 -1.909 -0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.714 -0.237 -2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 2 10.574 -2.006 -3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 2 9.592 -0.956 -4.067 1.00 0.00 H new ATOM 49 N ASP A 3 8.709 -4.271 -3.275 1.00 0.00 N ATOM 50 CA ASP A 3 9.501 -5.518 -3.397 1.00 0.00 C ATOM 51 C ASP A 3 11.037 -5.234 -3.490 1.00 0.00 C ATOM 52 O ASP A 3 11.543 -4.778 -4.519 1.00 0.00 O ATOM 53 CB ASP A 3 8.910 -6.333 -4.581 1.00 0.00 C ATOM 54 CG ASP A 3 9.065 -5.804 -6.013 1.00 0.00 C ATOM 55 OD1 ASP A 3 9.751 -6.350 -6.870 1.00 0.00 O ATOM 56 OD2 ASP A 3 8.344 -4.669 -6.234 1.00 0.00 O ATOM 0 H ASP A 3 8.340 -3.935 -4.165 1.00 0.00 H new ATOM 0 HA ASP A 3 9.419 -6.126 -2.496 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.357 -7.326 -4.549 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.844 -6.457 -4.392 1.00 0.00 H new ATOM 62 N PHE A 4 11.784 -5.529 -2.412 1.00 0.00 N ATOM 63 CA PHE A 4 13.278 -5.405 -2.413 1.00 0.00 C ATOM 64 C PHE A 4 14.107 -6.579 -3.059 1.00 0.00 C ATOM 65 O PHE A 4 15.340 -6.512 -3.068 1.00 0.00 O ATOM 66 CB PHE A 4 13.745 -5.145 -0.954 1.00 0.00 C ATOM 67 CG PHE A 4 13.347 -3.811 -0.303 1.00 0.00 C ATOM 68 CD1 PHE A 4 13.920 -2.616 -0.746 1.00 0.00 C ATOM 69 CD2 PHE A 4 12.459 -3.783 0.774 1.00 0.00 C ATOM 70 CE1 PHE A 4 13.597 -1.409 -0.132 1.00 0.00 C ATOM 71 CE2 PHE A 4 12.164 -2.580 1.408 1.00 0.00 C ATOM 72 CZ PHE A 4 12.721 -1.392 0.947 1.00 0.00 C ATOM 0 H PHE A 4 11.394 -5.854 -1.527 1.00 0.00 H new ATOM 0 HA PHE A 4 13.492 -4.571 -3.082 1.00 0.00 H new ATOM 0 HB2 PHE A 4 13.359 -5.951 -0.330 1.00 0.00 H new ATOM 0 HB3 PHE A 4 14.832 -5.218 -0.932 1.00 0.00 H new ATOM 0 HD1 PHE A 4 14.618 -2.629 -1.570 1.00 0.00 H new ATOM 0 HD2 PHE A 4 11.999 -4.698 1.116 1.00 0.00 H new ATOM 0 HE1 PHE A 4 14.027 -0.487 -0.494 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.501 -2.569 2.260 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.473 -0.457 1.427 1.00 0.00 H new ATOM 82 N ASN A 5 13.461 -7.624 -3.607 1.00 0.00 N ATOM 83 CA ASN A 5 14.108 -8.849 -4.150 1.00 0.00 C ATOM 84 C ASN A 5 15.204 -8.612 -5.245 1.00 0.00 C ATOM 85 O ASN A 5 14.891 -8.173 -6.356 1.00 0.00 O ATOM 86 CB ASN A 5 12.959 -9.726 -4.734 1.00 0.00 C ATOM 87 CG ASN A 5 11.875 -10.187 -3.749 1.00 0.00 C ATOM 88 OD1 ASN A 5 10.949 -9.458 -3.403 1.00 0.00 O ATOM 89 ND2 ASN A 5 11.999 -11.377 -3.231 1.00 0.00 N ATOM 0 H ASN A 5 12.445 -7.648 -3.690 1.00 0.00 H new ATOM 0 HA ASN A 5 14.653 -9.324 -3.334 1.00 0.00 H new ATOM 0 HB2 ASN A 5 12.476 -9.165 -5.534 1.00 0.00 H new ATOM 0 HB3 ASN A 5 13.404 -10.611 -5.189 1.00 0.00 H new ATOM 0 HD21 ASN A 5 11.326 -11.704 -2.537 1.00 0.00 H new ATOM 0 HD22 ASN A 5 12.769 -11.981 -3.519 1.00 0.00 H new ATOM 96 N GLY A 6 16.479 -8.924 -4.942 1.00 0.00 N ATOM 97 CA GLY A 6 17.572 -8.767 -5.937 1.00 0.00 C ATOM 98 C GLY A 6 19.007 -8.749 -5.374 1.00 0.00 C ATOM 99 O GLY A 6 19.245 -8.776 -4.162 1.00 0.00 O ATOM 0 H GLY A 6 16.780 -9.280 -4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 6 17.497 -9.580 -6.659 1.00 0.00 H new ATOM 0 HA3 GLY A 6 17.407 -7.839 -6.484 1.00 0.00 H new ATOM 103 N TYR A 7 19.967 -8.664 -6.307 1.00 0.00 N ATOM 104 CA TYR A 7 21.393 -8.384 -5.982 1.00 0.00 C ATOM 105 C TYR A 7 21.739 -6.913 -6.394 1.00 0.00 C ATOM 106 O TYR A 7 21.433 -6.464 -7.506 1.00 0.00 O ATOM 107 CB TYR A 7 22.297 -9.440 -6.681 1.00 0.00 C ATOM 108 CG TYR A 7 23.708 -9.593 -6.082 1.00 0.00 C ATOM 109 CD1 TYR A 7 24.715 -8.685 -6.416 1.00 0.00 C ATOM 110 CD2 TYR A 7 24.005 -10.648 -5.212 1.00 0.00 C ATOM 111 CE1 TYR A 7 25.994 -8.823 -5.892 1.00 0.00 C ATOM 112 CE2 TYR A 7 25.283 -10.775 -4.669 1.00 0.00 C ATOM 113 CZ TYR A 7 26.276 -9.858 -5.004 1.00 0.00 C ATOM 114 OH TYR A 7 27.521 -9.961 -4.441 1.00 0.00 O ATOM 0 H TYR A 7 19.789 -8.785 -7.304 1.00 0.00 H new ATOM 0 HA TYR A 7 21.572 -8.467 -4.910 1.00 0.00 H new ATOM 0 HB2 TYR A 7 21.796 -10.407 -6.642 1.00 0.00 H new ATOM 0 HB3 TYR A 7 22.393 -9.173 -7.733 1.00 0.00 H new ATOM 0 HD1 TYR A 7 24.497 -7.868 -7.088 1.00 0.00 H new ATOM 0 HD2 TYR A 7 23.240 -11.368 -4.960 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.770 -8.127 -6.173 1.00 0.00 H new ATOM 0 HE2 TYR A 7 25.503 -11.584 -3.989 1.00 0.00 H new ATOM 0 HH TYR A 7 28.038 -9.153 -4.641 1.00 0.00 H new ATOM 124 N TRP A 8 22.382 -6.179 -5.477 1.00 0.00 N ATOM 125 CA TRP A 8 22.557 -4.707 -5.567 1.00 0.00 C ATOM 126 C TRP A 8 24.068 -4.348 -5.387 1.00 0.00 C ATOM 127 O TRP A 8 24.691 -4.759 -4.400 1.00 0.00 O ATOM 128 CB TRP A 8 21.709 -4.040 -4.439 1.00 0.00 C ATOM 129 CG TRP A 8 20.189 -4.286 -4.440 1.00 0.00 C ATOM 130 CD1 TRP A 8 19.528 -5.394 -3.860 1.00 0.00 C ATOM 131 CD2 TRP A 8 19.188 -3.522 -5.006 1.00 0.00 C ATOM 132 NE1 TRP A 8 18.143 -5.362 -4.091 1.00 0.00 N ATOM 133 CE2 TRP A 8 17.954 -4.193 -4.802 1.00 0.00 C ATOM 134 CE3 TRP A 8 19.225 -2.280 -5.684 1.00 0.00 C ATOM 135 CZ2 TRP A 8 16.756 -3.640 -5.301 1.00 0.00 C ATOM 136 CZ3 TRP A 8 18.024 -1.742 -6.148 1.00 0.00 C ATOM 137 CH2 TRP A 8 16.810 -2.414 -5.970 1.00 0.00 C ATOM 0 H TRP A 8 22.802 -6.585 -4.641 1.00 0.00 H new ATOM 0 HA TRP A 8 22.226 -4.345 -6.540 1.00 0.00 H new ATOM 0 HB2 TRP A 8 22.102 -4.379 -3.480 1.00 0.00 H new ATOM 0 HB3 TRP A 8 21.874 -2.964 -4.489 1.00 0.00 H new ATOM 0 HD1 TRP A 8 20.029 -6.173 -3.305 1.00 0.00 H new ATOM 0 HE1 TRP A 8 17.441 -6.043 -3.801 1.00 0.00 H new ATOM 0 HE3 TRP A 8 20.160 -1.762 -5.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 15.815 -4.154 -5.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 18.032 -0.788 -6.654 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.900 -1.979 -6.356 1.00 0.00 H new ATOM 148 N LYS A 9 24.656 -3.547 -6.294 1.00 0.00 N ATOM 149 CA LYS A 9 26.022 -2.972 -6.094 1.00 0.00 C ATOM 150 C LYS A 9 25.980 -1.590 -5.370 1.00 0.00 C ATOM 151 O LYS A 9 25.088 -0.782 -5.644 1.00 0.00 O ATOM 152 CB LYS A 9 26.773 -2.879 -7.451 1.00 0.00 C ATOM 153 CG LYS A 9 26.238 -1.883 -8.522 1.00 0.00 C ATOM 154 CD LYS A 9 27.279 -1.438 -9.573 1.00 0.00 C ATOM 155 CE LYS A 9 27.619 -2.416 -10.713 1.00 0.00 C ATOM 156 NZ LYS A 9 28.426 -3.571 -10.266 1.00 0.00 N ATOM 0 H LYS A 9 24.217 -3.277 -7.174 1.00 0.00 H new ATOM 0 HA LYS A 9 26.573 -3.648 -5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.810 -2.616 -7.240 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.781 -3.874 -7.896 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.396 -2.345 -9.038 1.00 0.00 H new ATOM 0 HG3 LYS A 9 25.854 -0.998 -8.015 1.00 0.00 H new ATOM 0 HD2 LYS A 9 26.924 -0.511 -10.023 1.00 0.00 H new ATOM 0 HD3 LYS A 9 28.205 -1.203 -9.048 1.00 0.00 H new ATOM 0 HE2 LYS A 9 26.694 -2.779 -11.160 1.00 0.00 H new ATOM 0 HE3 LYS A 9 28.162 -1.881 -11.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 28.862 -4.030 -11.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 29.171 -3.244 -9.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 27.814 -4.253 -9.774 1.00 0.00 H new ATOM 169 N MET A 10 26.950 -1.276 -4.493 1.00 0.00 N ATOM 170 CA MET A 10 27.048 0.080 -3.877 1.00 0.00 C ATOM 171 C MET A 10 27.615 1.145 -4.873 1.00 0.00 C ATOM 172 O MET A 10 28.722 1.013 -5.405 1.00 0.00 O ATOM 173 CB MET A 10 27.872 -0.019 -2.574 1.00 0.00 C ATOM 174 CG MET A 10 27.947 1.279 -1.743 1.00 0.00 C ATOM 175 SD MET A 10 29.046 1.049 -0.338 1.00 0.00 S ATOM 176 CE MET A 10 27.949 0.192 0.797 1.00 0.00 C ATOM 0 H MET A 10 27.674 -1.927 -4.191 1.00 0.00 H new ATOM 0 HA MET A 10 26.047 0.432 -3.629 1.00 0.00 H new ATOM 0 HB2 MET A 10 27.445 -0.805 -1.952 1.00 0.00 H new ATOM 0 HB3 MET A 10 28.886 -0.328 -2.827 1.00 0.00 H new ATOM 0 HG2 MET A 10 28.306 2.099 -2.365 1.00 0.00 H new ATOM 0 HG3 MET A 10 26.952 1.556 -1.395 1.00 0.00 H new ATOM 0 HE1 MET A 10 28.445 0.070 1.760 1.00 0.00 H new ATOM 0 HE2 MET A 10 27.037 0.773 0.930 1.00 0.00 H new ATOM 0 HE3 MET A 10 27.699 -0.788 0.391 1.00 0.00 H new ATOM 186 N LEU A 11 26.849 2.229 -5.063 1.00 0.00 N ATOM 187 CA LEU A 11 27.340 3.467 -5.729 1.00 0.00 C ATOM 188 C LEU A 11 28.125 4.404 -4.748 1.00 0.00 C ATOM 189 O LEU A 11 29.244 4.813 -5.068 1.00 0.00 O ATOM 190 CB LEU A 11 26.143 4.211 -6.398 1.00 0.00 C ATOM 191 CG LEU A 11 25.364 3.499 -7.536 1.00 0.00 C ATOM 192 CD1 LEU A 11 24.216 4.407 -8.016 1.00 0.00 C ATOM 193 CD2 LEU A 11 26.247 3.131 -8.743 1.00 0.00 C ATOM 0 H LEU A 11 25.875 2.283 -4.765 1.00 0.00 H new ATOM 0 HA LEU A 11 28.053 3.176 -6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 11 25.428 4.459 -5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 11 26.520 5.153 -6.795 1.00 0.00 H new ATOM 0 HG LEU A 11 24.984 2.567 -7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 11 23.668 3.908 -8.815 1.00 0.00 H new ATOM 0 HD12 LEU A 11 23.541 4.610 -7.185 1.00 0.00 H new ATOM 0 HD13 LEU A 11 24.626 5.346 -8.388 1.00 0.00 H new ATOM 0 HD21 LEU A 11 25.639 2.637 -9.501 1.00 0.00 H new ATOM 0 HD22 LEU A 11 26.685 4.036 -9.163 1.00 0.00 H new ATOM 0 HD23 LEU A 11 27.042 2.459 -8.421 1.00 0.00 H new ATOM 205 N SER A 12 27.552 4.750 -3.576 1.00 0.00 N ATOM 206 CA SER A 12 28.225 5.589 -2.548 1.00 0.00 C ATOM 207 C SER A 12 27.951 5.076 -1.098 1.00 0.00 C ATOM 208 O SER A 12 26.847 4.628 -0.770 1.00 0.00 O ATOM 209 CB SER A 12 27.801 7.071 -2.722 1.00 0.00 C ATOM 210 OG SER A 12 26.411 7.278 -2.450 1.00 0.00 O ATOM 0 H SER A 12 26.611 4.459 -3.311 1.00 0.00 H new ATOM 0 HA SER A 12 29.302 5.514 -2.697 1.00 0.00 H new ATOM 0 HB2 SER A 12 28.395 7.696 -2.056 1.00 0.00 H new ATOM 0 HB3 SER A 12 28.020 7.391 -3.740 1.00 0.00 H new ATOM 0 HG SER A 12 26.192 8.225 -2.571 1.00 0.00 H new ATOM 216 N ASN A 13 28.959 5.200 -0.215 1.00 0.00 N ATOM 217 CA ASN A 13 28.770 5.105 1.263 1.00 0.00 C ATOM 218 C ASN A 13 29.181 6.463 1.921 1.00 0.00 C ATOM 219 O ASN A 13 30.346 6.694 2.263 1.00 0.00 O ATOM 220 CB ASN A 13 29.442 3.827 1.852 1.00 0.00 C ATOM 221 CG ASN A 13 30.893 3.429 1.525 1.00 0.00 C ATOM 222 OD1 ASN A 13 31.198 2.260 1.324 1.00 0.00 O ATOM 223 ND2 ASN A 13 31.833 4.338 1.494 1.00 0.00 N ATOM 0 H ASN A 13 29.926 5.368 -0.493 1.00 0.00 H new ATOM 0 HA ASN A 13 27.718 4.961 1.509 1.00 0.00 H new ATOM 0 HB2 ASN A 13 29.380 3.914 2.937 1.00 0.00 H new ATOM 0 HB3 ASN A 13 28.815 2.984 1.563 1.00 0.00 H new ATOM 0 HD21 ASN A 13 32.798 4.067 1.305 1.00 0.00 H new ATOM 0 HD22 ASN A 13 31.601 5.317 1.659 1.00 0.00 H new ATOM 230 N GLU A 14 28.213 7.385 2.046 1.00 0.00 N ATOM 231 CA GLU A 14 28.464 8.806 2.401 1.00 0.00 C ATOM 232 C GLU A 14 28.266 9.018 3.932 1.00 0.00 C ATOM 233 O GLU A 14 27.192 8.742 4.477 1.00 0.00 O ATOM 234 CB GLU A 14 27.502 9.658 1.529 1.00 0.00 C ATOM 235 CG GLU A 14 27.698 11.190 1.627 1.00 0.00 C ATOM 236 CD GLU A 14 26.739 11.974 0.734 1.00 0.00 C ATOM 237 OE1 GLU A 14 27.023 12.370 -0.391 1.00 0.00 O ATOM 238 OE2 GLU A 14 25.530 12.182 1.327 1.00 0.00 O ATOM 0 H GLU A 14 27.226 7.172 1.904 1.00 0.00 H new ATOM 0 HA GLU A 14 29.490 9.111 2.197 1.00 0.00 H new ATOM 0 HB2 GLU A 14 27.622 9.359 0.488 1.00 0.00 H new ATOM 0 HB3 GLU A 14 26.476 9.421 1.812 1.00 0.00 H new ATOM 0 HG2 GLU A 14 27.559 11.503 2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 14 28.724 11.437 1.354 1.00 0.00 H new ATOM 246 N ASN A 15 29.321 9.486 4.629 1.00 0.00 N ATOM 247 CA ASN A 15 29.357 9.568 6.129 1.00 0.00 C ATOM 248 C ASN A 15 29.351 8.197 6.914 1.00 0.00 C ATOM 249 O ASN A 15 29.002 8.147 8.098 1.00 0.00 O ATOM 250 CB ASN A 15 28.322 10.636 6.608 1.00 0.00 C ATOM 251 CG ASN A 15 28.628 11.315 7.942 1.00 0.00 C ATOM 252 OD1 ASN A 15 29.744 11.749 8.205 1.00 0.00 O ATOM 253 ND2 ASN A 15 27.653 11.467 8.804 1.00 0.00 N ATOM 0 H ASN A 15 30.176 9.820 4.183 1.00 0.00 H new ATOM 0 HA ASN A 15 30.352 9.912 6.410 1.00 0.00 H new ATOM 0 HB2 ASN A 15 28.243 11.406 5.841 1.00 0.00 H new ATOM 0 HB3 ASN A 15 27.345 10.158 6.682 1.00 0.00 H new ATOM 0 HD21 ASN A 15 27.824 11.945 9.689 1.00 0.00 H new ATOM 0 HD22 ASN A 15 26.723 11.108 8.590 1.00 0.00 H new ATOM 260 N PHE A 16 29.815 7.097 6.283 1.00 0.00 N ATOM 261 CA PHE A 16 29.889 5.750 6.918 1.00 0.00 C ATOM 262 C PHE A 16 30.939 5.603 8.074 1.00 0.00 C ATOM 263 O PHE A 16 30.561 5.095 9.133 1.00 0.00 O ATOM 264 CB PHE A 16 29.986 4.706 5.765 1.00 0.00 C ATOM 265 CG PHE A 16 29.777 3.211 6.090 1.00 0.00 C ATOM 266 CD1 PHE A 16 28.756 2.770 6.944 1.00 0.00 C ATOM 267 CD2 PHE A 16 30.566 2.261 5.432 1.00 0.00 C ATOM 268 CE1 PHE A 16 28.566 1.410 7.174 1.00 0.00 C ATOM 269 CE2 PHE A 16 30.357 0.900 5.642 1.00 0.00 C ATOM 270 CZ PHE A 16 29.365 0.475 6.521 1.00 0.00 C ATOM 0 H PHE A 16 30.150 7.111 5.320 1.00 0.00 H new ATOM 0 HA PHE A 16 28.980 5.564 7.490 1.00 0.00 H new ATOM 0 HB2 PHE A 16 29.253 4.984 5.007 1.00 0.00 H new ATOM 0 HB3 PHE A 16 30.971 4.809 5.309 1.00 0.00 H new ATOM 0 HD1 PHE A 16 28.112 3.490 7.427 1.00 0.00 H new ATOM 0 HD2 PHE A 16 31.343 2.586 4.756 1.00 0.00 H new ATOM 0 HE1 PHE A 16 27.799 1.080 7.859 1.00 0.00 H new ATOM 0 HE2 PHE A 16 30.965 0.174 5.123 1.00 0.00 H new ATOM 0 HZ PHE A 16 29.215 -0.580 6.697 1.00 0.00 H new ATOM 280 N GLU A 17 32.192 6.104 7.951 1.00 0.00 N ATOM 281 CA GLU A 17 33.134 6.218 9.116 1.00 0.00 C ATOM 282 C GLU A 17 32.604 6.984 10.375 1.00 0.00 C ATOM 283 O GLU A 17 32.804 6.495 11.489 1.00 0.00 O ATOM 284 CB GLU A 17 34.515 6.810 8.712 1.00 0.00 C ATOM 285 CG GLU A 17 35.411 5.880 7.867 1.00 0.00 C ATOM 286 CD GLU A 17 36.897 6.220 7.922 1.00 0.00 C ATOM 287 OE1 GLU A 17 37.638 5.827 8.818 1.00 0.00 O ATOM 288 OE2 GLU A 17 37.294 7.003 6.874 1.00 0.00 O ATOM 0 H GLU A 17 32.581 6.436 7.069 1.00 0.00 H new ATOM 0 HA GLU A 17 33.236 5.176 9.419 1.00 0.00 H new ATOM 0 HB2 GLU A 17 34.347 7.731 8.154 1.00 0.00 H new ATOM 0 HB3 GLU A 17 35.055 7.081 9.619 1.00 0.00 H new ATOM 0 HG2 GLU A 17 35.272 4.854 8.207 1.00 0.00 H new ATOM 0 HG3 GLU A 17 35.079 5.920 6.829 1.00 0.00 H new ATOM 296 N GLU A 18 31.939 8.148 10.224 1.00 0.00 N ATOM 297 CA GLU A 18 31.304 8.867 11.370 1.00 0.00 C ATOM 298 C GLU A 18 30.142 8.079 12.080 1.00 0.00 C ATOM 299 O GLU A 18 30.119 8.003 13.310 1.00 0.00 O ATOM 300 CB GLU A 18 30.881 10.270 10.857 1.00 0.00 C ATOM 301 CG GLU A 18 30.672 11.339 11.957 1.00 0.00 C ATOM 302 CD GLU A 18 30.085 12.648 11.424 1.00 0.00 C ATOM 303 OE1 GLU A 18 28.879 12.863 11.337 1.00 0.00 O ATOM 304 OE2 GLU A 18 31.054 13.534 11.050 1.00 0.00 O ATOM 0 H GLU A 18 31.823 8.617 9.326 1.00 0.00 H new ATOM 0 HA GLU A 18 32.034 8.964 12.174 1.00 0.00 H new ATOM 0 HB2 GLU A 18 31.641 10.630 10.163 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.955 10.168 10.291 1.00 0.00 H new ATOM 0 HG2 GLU A 18 30.009 10.937 12.724 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.628 11.547 12.439 1.00 0.00 H new ATOM 312 N TYR A 19 29.221 7.460 11.312 1.00 0.00 N ATOM 313 CA TYR A 19 28.250 6.441 11.821 1.00 0.00 C ATOM 314 C TYR A 19 28.897 5.226 12.571 1.00 0.00 C ATOM 315 O TYR A 19 28.474 4.902 13.682 1.00 0.00 O ATOM 316 CB TYR A 19 27.369 6.050 10.595 1.00 0.00 C ATOM 317 CG TYR A 19 26.484 4.792 10.713 1.00 0.00 C ATOM 318 CD1 TYR A 19 25.220 4.837 11.304 1.00 0.00 C ATOM 319 CD2 TYR A 19 26.980 3.567 10.249 1.00 0.00 C ATOM 320 CE1 TYR A 19 24.469 3.669 11.439 1.00 0.00 C ATOM 321 CE2 TYR A 19 26.227 2.404 10.381 1.00 0.00 C ATOM 322 CZ TYR A 19 24.969 2.458 10.967 1.00 0.00 C ATOM 323 OH TYR A 19 24.229 1.315 11.116 1.00 0.00 O ATOM 0 H TYR A 19 29.121 7.647 10.314 1.00 0.00 H new ATOM 0 HA TYR A 19 27.639 6.865 12.618 1.00 0.00 H new ATOM 0 HB2 TYR A 19 26.720 6.895 10.367 1.00 0.00 H new ATOM 0 HB3 TYR A 19 28.029 5.915 9.738 1.00 0.00 H new ATOM 0 HD1 TYR A 19 24.823 5.777 11.657 1.00 0.00 H new ATOM 0 HD2 TYR A 19 27.954 3.525 9.785 1.00 0.00 H new ATOM 0 HE1 TYR A 19 23.498 3.704 11.910 1.00 0.00 H new ATOM 0 HE2 TYR A 19 26.620 1.462 10.029 1.00 0.00 H new ATOM 0 HH TYR A 19 23.897 1.024 10.241 1.00 0.00 H new ATOM 333 N LEU A 20 29.907 4.565 11.977 1.00 0.00 N ATOM 334 CA LEU A 20 30.667 3.475 12.646 1.00 0.00 C ATOM 335 C LEU A 20 31.479 3.911 13.918 1.00 0.00 C ATOM 336 O LEU A 20 31.427 3.212 14.934 1.00 0.00 O ATOM 337 CB LEU A 20 31.557 2.777 11.580 1.00 0.00 C ATOM 338 CG LEU A 20 30.876 2.034 10.396 1.00 0.00 C ATOM 339 CD1 LEU A 20 31.934 1.588 9.372 1.00 0.00 C ATOM 340 CD2 LEU A 20 30.043 0.818 10.834 1.00 0.00 C ATOM 0 H LEU A 20 30.223 4.763 11.028 1.00 0.00 H new ATOM 0 HA LEU A 20 29.941 2.771 13.054 1.00 0.00 H new ATOM 0 HB2 LEU A 20 32.218 3.534 11.157 1.00 0.00 H new ATOM 0 HB3 LEU A 20 32.189 2.057 12.100 1.00 0.00 H new ATOM 0 HG LEU A 20 30.185 2.747 9.946 1.00 0.00 H new ATOM 0 HD11 LEU A 20 31.446 1.069 8.547 1.00 0.00 H new ATOM 0 HD12 LEU A 20 32.461 2.462 8.989 1.00 0.00 H new ATOM 0 HD13 LEU A 20 32.646 0.917 9.853 1.00 0.00 H new ATOM 0 HD21 LEU A 20 29.597 0.348 9.958 1.00 0.00 H new ATOM 0 HD22 LEU A 20 30.687 0.100 11.343 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.254 1.143 11.513 1.00 0.00 H new ATOM 352 N ARG A 21 32.157 5.078 13.913 1.00 0.00 N ATOM 353 CA ARG A 21 32.660 5.743 15.156 1.00 0.00 C ATOM 354 C ARG A 21 31.579 5.982 16.270 1.00 0.00 C ATOM 355 O ARG A 21 31.776 5.558 17.412 1.00 0.00 O ATOM 356 CB ARG A 21 33.371 7.052 14.714 1.00 0.00 C ATOM 357 CG ARG A 21 34.125 7.811 15.836 1.00 0.00 C ATOM 358 CD ARG A 21 34.825 9.107 15.376 1.00 0.00 C ATOM 359 NE ARG A 21 33.877 10.187 14.979 1.00 0.00 N ATOM 360 CZ ARG A 21 33.304 11.060 15.808 1.00 0.00 C ATOM 361 NH1 ARG A 21 33.466 11.063 17.113 1.00 0.00 N ATOM 362 NH2 ARG A 21 32.531 11.973 15.289 1.00 0.00 N ATOM 0 H ARG A 21 32.375 5.591 13.059 1.00 0.00 H new ATOM 0 HA ARG A 21 33.356 5.068 15.654 1.00 0.00 H new ATOM 0 HB2 ARG A 21 34.080 6.811 13.922 1.00 0.00 H new ATOM 0 HB3 ARG A 21 32.627 7.722 14.282 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.418 8.057 16.629 1.00 0.00 H new ATOM 0 HG3 ARG A 21 34.871 7.145 16.269 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.462 9.472 16.182 1.00 0.00 H new ATOM 0 HD3 ARG A 21 35.477 8.879 14.533 1.00 0.00 H new ATOM 0 HE ARG A 21 33.647 10.265 13.988 1.00 0.00 H new ATOM 0 HH11 ARG A 21 34.064 10.364 17.554 1.00 0.00 H new ATOM 0 HH12 ARG A 21 32.994 11.764 17.684 1.00 0.00 H new ATOM 0 HH21 ARG A 21 32.382 12.002 14.280 1.00 0.00 H new ATOM 0 HH22 ARG A 21 32.075 12.658 15.892 1.00 0.00 H new ATOM 376 N ALA A 22 30.426 6.584 15.922 1.00 0.00 N ATOM 377 CA ALA A 22 29.228 6.647 16.801 1.00 0.00 C ATOM 378 C ALA A 22 28.580 5.303 17.284 1.00 0.00 C ATOM 379 O ALA A 22 27.819 5.329 18.257 1.00 0.00 O ATOM 380 CB ALA A 22 28.207 7.496 16.021 1.00 0.00 C ATOM 0 H ALA A 22 30.292 7.044 15.021 1.00 0.00 H new ATOM 0 HA ALA A 22 29.554 7.067 17.753 1.00 0.00 H new ATOM 0 HB1 ALA A 22 27.291 7.590 16.604 1.00 0.00 H new ATOM 0 HB2 ALA A 22 28.623 8.486 15.836 1.00 0.00 H new ATOM 0 HB3 ALA A 22 27.983 7.013 15.070 1.00 0.00 H new ATOM 386 N LEU A 23 28.892 4.152 16.658 1.00 0.00 N ATOM 387 CA LEU A 23 28.564 2.803 17.204 1.00 0.00 C ATOM 388 C LEU A 23 29.670 2.135 18.087 1.00 0.00 C ATOM 389 O LEU A 23 29.464 1.011 18.546 1.00 0.00 O ATOM 390 CB LEU A 23 28.248 1.904 15.974 1.00 0.00 C ATOM 391 CG LEU A 23 26.894 2.196 15.283 1.00 0.00 C ATOM 392 CD1 LEU A 23 26.868 1.652 13.853 1.00 0.00 C ATOM 393 CD2 LEU A 23 25.725 1.611 16.091 1.00 0.00 C ATOM 0 H LEU A 23 29.377 4.121 15.761 1.00 0.00 H new ATOM 0 HA LEU A 23 27.725 2.919 17.891 1.00 0.00 H new ATOM 0 HB2 LEU A 23 29.046 2.023 15.241 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.260 0.861 16.292 1.00 0.00 H new ATOM 0 HG LEU A 23 26.780 3.279 15.239 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.903 1.874 13.397 1.00 0.00 H new ATOM 0 HD12 LEU A 23 27.661 2.121 13.271 1.00 0.00 H new ATOM 0 HD13 LEU A 23 27.021 0.573 13.871 1.00 0.00 H new ATOM 0 HD21 LEU A 23 24.786 1.831 15.583 1.00 0.00 H new ATOM 0 HD22 LEU A 23 25.847 0.531 16.178 1.00 0.00 H new ATOM 0 HD23 LEU A 23 25.712 2.056 17.086 1.00 0.00 H new ATOM 405 N ASP A 24 30.837 2.773 18.301 1.00 0.00 N ATOM 406 CA ASP A 24 32.066 2.118 18.843 1.00 0.00 C ATOM 407 C ASP A 24 32.626 0.980 17.917 1.00 0.00 C ATOM 408 O ASP A 24 32.724 -0.189 18.307 1.00 0.00 O ATOM 409 CB ASP A 24 31.932 1.716 20.344 1.00 0.00 C ATOM 410 CG ASP A 24 31.802 2.864 21.344 1.00 0.00 C ATOM 411 OD1 ASP A 24 30.769 3.113 21.956 1.00 0.00 O ATOM 412 OD2 ASP A 24 32.972 3.554 21.494 1.00 0.00 O ATOM 0 H ASP A 24 30.965 3.766 18.104 1.00 0.00 H new ATOM 0 HA ASP A 24 32.842 2.883 18.829 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.060 1.071 20.449 1.00 0.00 H new ATOM 0 HB3 ASP A 24 32.803 1.121 20.618 1.00 0.00 H new ATOM 418 N VAL A 25 33.016 1.349 16.687 1.00 0.00 N ATOM 419 CA VAL A 25 33.754 0.443 15.753 1.00 0.00 C ATOM 420 C VAL A 25 35.212 1.001 15.597 1.00 0.00 C ATOM 421 O VAL A 25 35.432 2.208 15.444 1.00 0.00 O ATOM 422 CB VAL A 25 32.981 0.297 14.398 1.00 0.00 C ATOM 423 CG1 VAL A 25 33.693 -0.591 13.351 1.00 0.00 C ATOM 424 CG2 VAL A 25 31.544 -0.262 14.558 1.00 0.00 C ATOM 0 H VAL A 25 32.836 2.276 16.301 1.00 0.00 H new ATOM 0 HA VAL A 25 33.821 -0.570 16.150 1.00 0.00 H new ATOM 0 HB VAL A 25 32.948 1.327 14.042 1.00 0.00 H new ATOM 0 HG11 VAL A 25 33.090 -0.638 12.444 1.00 0.00 H new ATOM 0 HG12 VAL A 25 34.669 -0.166 13.117 1.00 0.00 H new ATOM 0 HG13 VAL A 25 33.822 -1.596 13.754 1.00 0.00 H new ATOM 0 HG21 VAL A 25 31.071 -0.335 13.579 1.00 0.00 H new ATOM 0 HG22 VAL A 25 31.587 -1.251 15.015 1.00 0.00 H new ATOM 0 HG23 VAL A 25 30.962 0.406 15.193 1.00 0.00 H new ATOM 434 N ASN A 26 36.214 0.104 15.624 1.00 0.00 N ATOM 435 CA ASN A 26 37.655 0.485 15.540 1.00 0.00 C ATOM 436 C ASN A 26 38.113 1.164 14.200 1.00 0.00 C ATOM 437 O ASN A 26 37.500 0.973 13.146 1.00 0.00 O ATOM 438 CB ASN A 26 38.499 -0.770 15.919 1.00 0.00 C ATOM 439 CG ASN A 26 38.530 -1.928 14.905 1.00 0.00 C ATOM 440 OD1 ASN A 26 39.098 -1.825 13.824 1.00 0.00 O ATOM 441 ND2 ASN A 26 37.939 -3.058 15.207 1.00 0.00 N ATOM 0 H ASN A 26 36.060 -0.901 15.704 1.00 0.00 H new ATOM 0 HA ASN A 26 37.825 1.292 16.252 1.00 0.00 H new ATOM 0 HB2 ASN A 26 39.525 -0.447 16.095 1.00 0.00 H new ATOM 0 HB3 ASN A 26 38.121 -1.159 16.865 1.00 0.00 H new ATOM 0 HD21 ASN A 26 37.956 -3.835 14.546 1.00 0.00 H new ATOM 0 HD22 ASN A 26 37.462 -3.160 16.103 1.00 0.00 H new ATOM 448 N VAL A 27 39.227 1.924 14.244 1.00 0.00 N ATOM 449 CA VAL A 27 39.797 2.638 13.048 1.00 0.00 C ATOM 450 C VAL A 27 40.135 1.708 11.825 1.00 0.00 C ATOM 451 O VAL A 27 39.798 2.063 10.692 1.00 0.00 O ATOM 452 CB VAL A 27 41.001 3.565 13.458 1.00 0.00 C ATOM 453 CG1 VAL A 27 41.563 4.404 12.280 1.00 0.00 C ATOM 454 CG2 VAL A 27 40.675 4.583 14.580 1.00 0.00 C ATOM 0 H VAL A 27 39.765 2.069 15.098 1.00 0.00 H new ATOM 0 HA VAL A 27 38.994 3.275 12.677 1.00 0.00 H new ATOM 0 HB VAL A 27 41.733 2.838 13.811 1.00 0.00 H new ATOM 0 HG11 VAL A 27 42.390 5.019 12.634 1.00 0.00 H new ATOM 0 HG12 VAL A 27 41.917 3.737 11.494 1.00 0.00 H new ATOM 0 HG13 VAL A 27 40.777 5.046 11.883 1.00 0.00 H new ATOM 0 HG21 VAL A 27 41.561 5.180 14.799 1.00 0.00 H new ATOM 0 HG22 VAL A 27 39.868 5.238 14.253 1.00 0.00 H new ATOM 0 HG23 VAL A 27 40.367 4.048 15.478 1.00 0.00 H new ATOM 464 N ALA A 28 40.760 0.532 12.041 1.00 0.00 N ATOM 465 CA ALA A 28 40.974 -0.477 10.969 1.00 0.00 C ATOM 466 C ALA A 28 39.682 -0.991 10.252 1.00 0.00 C ATOM 467 O ALA A 28 39.630 -0.926 9.025 1.00 0.00 O ATOM 468 CB ALA A 28 41.826 -1.616 11.561 1.00 0.00 C ATOM 0 H ALA A 28 41.129 0.252 12.950 1.00 0.00 H new ATOM 0 HA ALA A 28 41.501 0.015 10.152 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.001 -2.374 10.798 1.00 0.00 H new ATOM 0 HB2 ALA A 28 42.781 -1.217 11.901 1.00 0.00 H new ATOM 0 HB3 ALA A 28 41.299 -2.064 12.403 1.00 0.00 H new ATOM 474 N LEU A 29 38.633 -1.434 10.972 1.00 0.00 N ATOM 475 CA LEU A 29 37.317 -1.790 10.356 1.00 0.00 C ATOM 476 C LEU A 29 36.489 -0.575 9.806 1.00 0.00 C ATOM 477 O LEU A 29 35.920 -0.701 8.722 1.00 0.00 O ATOM 478 CB LEU A 29 36.544 -2.697 11.362 1.00 0.00 C ATOM 479 CG LEU A 29 35.575 -3.750 10.755 1.00 0.00 C ATOM 480 CD1 LEU A 29 35.231 -4.824 11.801 1.00 0.00 C ATOM 481 CD2 LEU A 29 34.260 -3.162 10.213 1.00 0.00 C ATOM 0 H LEU A 29 38.661 -1.558 11.984 1.00 0.00 H new ATOM 0 HA LEU A 29 37.503 -2.349 9.439 1.00 0.00 H new ATOM 0 HB2 LEU A 29 37.275 -3.223 11.976 1.00 0.00 H new ATOM 0 HB3 LEU A 29 35.971 -2.053 12.029 1.00 0.00 H new ATOM 0 HG LEU A 29 36.112 -4.176 9.907 1.00 0.00 H new ATOM 0 HD11 LEU A 29 34.552 -5.555 11.362 1.00 0.00 H new ATOM 0 HD12 LEU A 29 36.144 -5.325 12.122 1.00 0.00 H new ATOM 0 HD13 LEU A 29 34.753 -4.355 12.661 1.00 0.00 H new ATOM 0 HD21 LEU A 29 33.643 -3.964 9.808 1.00 0.00 H new ATOM 0 HD22 LEU A 29 33.724 -2.664 11.021 1.00 0.00 H new ATOM 0 HD23 LEU A 29 34.481 -2.441 9.426 1.00 0.00 H new ATOM 493 N ARG A 30 36.467 0.610 10.457 1.00 0.00 N ATOM 494 CA ARG A 30 36.042 1.895 9.805 1.00 0.00 C ATOM 495 C ARG A 30 36.665 2.180 8.390 1.00 0.00 C ATOM 496 O ARG A 30 35.927 2.406 7.425 1.00 0.00 O ATOM 497 CB ARG A 30 36.352 3.073 10.772 1.00 0.00 C ATOM 498 CG ARG A 30 35.399 3.281 11.975 1.00 0.00 C ATOM 499 CD ARG A 30 35.939 4.232 13.062 1.00 0.00 C ATOM 500 NE ARG A 30 36.273 5.583 12.537 1.00 0.00 N ATOM 501 CZ ARG A 30 36.931 6.523 13.209 1.00 0.00 C ATOM 502 NH1 ARG A 30 37.292 6.420 14.471 1.00 0.00 N ATOM 503 NH2 ARG A 30 37.233 7.621 12.574 1.00 0.00 N ATOM 0 H ARG A 30 36.737 0.715 11.435 1.00 0.00 H new ATOM 0 HA ARG A 30 34.973 1.794 9.616 1.00 0.00 H new ATOM 0 HB2 ARG A 30 37.360 2.931 11.162 1.00 0.00 H new ATOM 0 HB3 ARG A 30 36.362 3.993 10.188 1.00 0.00 H new ATOM 0 HG2 ARG A 30 34.450 3.672 11.607 1.00 0.00 H new ATOM 0 HG3 ARG A 30 35.190 2.312 12.429 1.00 0.00 H new ATOM 0 HD2 ARG A 30 35.196 4.329 13.854 1.00 0.00 H new ATOM 0 HD3 ARG A 30 36.829 3.793 13.512 1.00 0.00 H new ATOM 0 HE ARG A 30 35.974 5.806 11.588 1.00 0.00 H new ATOM 0 HH11 ARG A 30 37.068 5.576 14.998 1.00 0.00 H new ATOM 0 HH12 ARG A 30 37.796 7.184 14.921 1.00 0.00 H new ATOM 0 HH21 ARG A 30 36.965 7.735 11.597 1.00 0.00 H new ATOM 0 HH22 ARG A 30 37.737 8.366 13.055 1.00 0.00 H new ATOM 517 N LYS A 31 38.006 2.125 8.265 1.00 0.00 N ATOM 518 CA LYS A 31 38.705 2.170 6.952 1.00 0.00 C ATOM 519 C LYS A 31 38.429 0.928 6.041 1.00 0.00 C ATOM 520 O LYS A 31 38.015 1.122 4.895 1.00 0.00 O ATOM 521 CB LYS A 31 40.228 2.402 7.183 1.00 0.00 C ATOM 522 CG LYS A 31 40.655 3.746 7.826 1.00 0.00 C ATOM 523 CD LYS A 31 40.428 4.986 6.939 1.00 0.00 C ATOM 524 CE LYS A 31 40.833 6.282 7.658 1.00 0.00 C ATOM 525 NZ LYS A 31 40.419 7.449 6.859 1.00 0.00 N ATOM 0 H LYS A 31 38.637 2.049 9.062 1.00 0.00 H new ATOM 0 HA LYS A 31 38.292 3.010 6.394 1.00 0.00 H new ATOM 0 HB2 LYS A 31 40.600 1.594 7.813 1.00 0.00 H new ATOM 0 HB3 LYS A 31 40.732 2.314 6.221 1.00 0.00 H new ATOM 0 HG2 LYS A 31 40.106 3.878 8.758 1.00 0.00 H new ATOM 0 HG3 LYS A 31 41.712 3.690 8.084 1.00 0.00 H new ATOM 0 HD2 LYS A 31 41.004 4.885 6.019 1.00 0.00 H new ATOM 0 HD3 LYS A 31 39.378 5.042 6.653 1.00 0.00 H new ATOM 0 HE2 LYS A 31 40.369 6.322 8.643 1.00 0.00 H new ATOM 0 HE3 LYS A 31 41.912 6.300 7.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 40.711 8.322 7.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 40.868 7.405 5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 39.385 7.444 6.748 1.00 0.00 H new ATOM 538 N ILE A 32 38.564 -0.330 6.520 1.00 0.00 N ATOM 539 CA ILE A 32 38.223 -1.561 5.725 1.00 0.00 C ATOM 540 C ILE A 32 36.657 -1.812 5.718 1.00 0.00 C ATOM 541 O ILE A 32 36.144 -2.854 6.123 1.00 0.00 O ATOM 542 CB ILE A 32 39.079 -2.801 6.201 1.00 0.00 C ATOM 543 CG1 ILE A 32 40.613 -2.563 6.403 1.00 0.00 C ATOM 544 CG2 ILE A 32 38.937 -4.006 5.230 1.00 0.00 C ATOM 545 CD1 ILE A 32 41.279 -3.557 7.374 1.00 0.00 C ATOM 0 H ILE A 32 38.908 -0.533 7.458 1.00 0.00 H new ATOM 0 HA ILE A 32 38.500 -1.403 4.683 1.00 0.00 H new ATOM 0 HB ILE A 32 38.651 -3.000 7.184 1.00 0.00 H new ATOM 0 HG12 ILE A 32 41.111 -2.627 5.435 1.00 0.00 H new ATOM 0 HG13 ILE A 32 40.767 -1.550 6.774 1.00 0.00 H new ATOM 0 HG21 ILE A 32 39.541 -4.838 5.592 1.00 0.00 H new ATOM 0 HG22 ILE A 32 37.892 -4.311 5.179 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.279 -3.715 4.237 1.00 0.00 H new ATOM 0 HD11 ILE A 32 42.341 -3.326 7.460 1.00 0.00 H new ATOM 0 HD12 ILE A 32 40.810 -3.478 8.355 1.00 0.00 H new ATOM 0 HD13 ILE A 32 41.158 -4.572 6.995 1.00 0.00 H new ATOM 557 N ALA A 33 35.912 -0.817 5.217 1.00 0.00 N ATOM 558 CA ALA A 33 34.425 -0.784 5.127 1.00 0.00 C ATOM 559 C ALA A 33 33.935 0.490 4.368 1.00 0.00 C ATOM 560 O ALA A 33 33.100 0.377 3.470 1.00 0.00 O ATOM 561 CB ALA A 33 33.719 -0.917 6.497 1.00 0.00 C ATOM 0 H ALA A 33 36.338 0.031 4.843 1.00 0.00 H new ATOM 0 HA ALA A 33 34.141 -1.666 4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 33 32.639 -0.885 6.354 1.00 0.00 H new ATOM 0 HB2 ALA A 33 33.996 -1.865 6.959 1.00 0.00 H new ATOM 0 HB3 ALA A 33 34.024 -0.095 7.145 1.00 0.00 H new ATOM 567 N ASN A 34 34.454 1.691 4.700 1.00 0.00 N ATOM 568 CA ASN A 34 34.312 2.905 3.847 1.00 0.00 C ATOM 569 C ASN A 34 35.234 2.960 2.579 1.00 0.00 C ATOM 570 O ASN A 34 34.848 3.594 1.593 1.00 0.00 O ATOM 571 CB ASN A 34 34.537 4.137 4.773 1.00 0.00 C ATOM 572 CG ASN A 34 33.894 5.476 4.375 1.00 0.00 C ATOM 573 OD1 ASN A 34 33.098 6.053 5.108 1.00 0.00 O ATOM 574 ND2 ASN A 34 34.255 6.069 3.265 1.00 0.00 N ATOM 0 H ASN A 34 34.980 1.853 5.559 1.00 0.00 H new ATOM 0 HA ASN A 34 33.312 2.891 3.414 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.174 3.876 5.767 1.00 0.00 H new ATOM 0 HB3 ASN A 34 35.612 4.297 4.858 1.00 0.00 H new ATOM 0 HD21 ASN A 34 33.876 6.986 3.030 1.00 0.00 H new ATOM 0 HD22 ASN A 34 34.916 5.614 2.635 1.00 0.00 H new ATOM 581 N LEU A 35 36.442 2.363 2.604 1.00 0.00 N ATOM 582 CA LEU A 35 37.359 2.330 1.423 1.00 0.00 C ATOM 583 C LEU A 35 36.966 1.302 0.312 1.00 0.00 C ATOM 584 O LEU A 35 37.153 1.596 -0.872 1.00 0.00 O ATOM 585 CB LEU A 35 38.827 2.097 1.891 1.00 0.00 C ATOM 586 CG LEU A 35 39.493 3.190 2.773 1.00 0.00 C ATOM 587 CD1 LEU A 35 40.877 2.713 3.246 1.00 0.00 C ATOM 588 CD2 LEU A 35 39.649 4.539 2.047 1.00 0.00 C ATOM 0 H LEU A 35 36.816 1.892 3.428 1.00 0.00 H new ATOM 0 HA LEU A 35 37.262 3.307 0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 35 38.856 1.158 2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 35 39.444 1.963 1.002 1.00 0.00 H new ATOM 0 HG LEU A 35 38.828 3.349 3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 35 41.337 3.485 3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 35 40.767 1.799 3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 35 41.510 2.516 2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 35 40.120 5.260 2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 35 40.270 4.406 1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 35 38.667 4.908 1.750 1.00 0.00 H new ATOM 600 N LEU A 36 36.436 0.120 0.681 1.00 0.00 N ATOM 601 CA LEU A 36 35.851 -0.841 -0.295 1.00 0.00 C ATOM 602 C LEU A 36 34.292 -0.741 -0.314 1.00 0.00 C ATOM 603 O LEU A 36 33.663 -0.433 0.701 1.00 0.00 O ATOM 604 CB LEU A 36 36.425 -2.274 -0.128 1.00 0.00 C ATOM 605 CG LEU A 36 36.062 -3.054 1.159 1.00 0.00 C ATOM 606 CD1 LEU A 36 35.969 -4.564 0.874 1.00 0.00 C ATOM 607 CD2 LEU A 36 37.079 -2.827 2.286 1.00 0.00 C ATOM 0 H LEU A 36 36.397 -0.200 1.649 1.00 0.00 H new ATOM 0 HA LEU A 36 36.166 -0.555 -1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 36 36.098 -2.867 -0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 36 37.512 -2.208 -0.184 1.00 0.00 H new ATOM 0 HG LEU A 36 35.094 -2.673 1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 36 35.713 -5.092 1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 36 35.199 -4.746 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 36 36.929 -4.924 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 36 36.779 -3.396 3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 36 38.065 -3.158 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 36 37.116 -1.766 2.534 1.00 0.00 H new ATOM 619 N LYS A 37 33.672 -0.990 -1.478 1.00 0.00 N ATOM 620 CA LYS A 37 32.215 -0.761 -1.686 1.00 0.00 C ATOM 621 C LYS A 37 31.441 -2.130 -1.644 1.00 0.00 C ATOM 622 O LYS A 37 31.402 -2.801 -2.683 1.00 0.00 O ATOM 623 CB LYS A 37 32.039 0.010 -3.031 1.00 0.00 C ATOM 624 CG LYS A 37 32.571 1.465 -3.099 1.00 0.00 C ATOM 625 CD LYS A 37 31.757 2.483 -2.269 1.00 0.00 C ATOM 626 CE LYS A 37 32.250 3.936 -2.381 1.00 0.00 C ATOM 627 NZ LYS A 37 33.483 4.157 -1.596 1.00 0.00 N ATOM 0 H LYS A 37 34.153 -1.353 -2.301 1.00 0.00 H new ATOM 0 HA LYS A 37 31.787 -0.154 -0.888 1.00 0.00 H new ATOM 0 HB2 LYS A 37 32.532 -0.565 -3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 37 30.976 0.029 -3.271 1.00 0.00 H new ATOM 0 HG2 LYS A 37 33.605 1.477 -2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.579 1.787 -4.140 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.715 2.441 -2.586 1.00 0.00 H new ATOM 0 HD3 LYS A 37 31.784 2.183 -1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 37 32.437 4.177 -3.427 1.00 0.00 H new ATOM 0 HE3 LYS A 37 31.470 4.613 -2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 33.747 5.162 -1.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 33.317 3.886 -0.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 34.253 3.579 -1.989 1.00 0.00 H new ATOM 640 N PRO A 38 30.828 -2.611 -0.515 1.00 0.00 N ATOM 641 CA PRO A 38 30.173 -3.949 -0.471 1.00 0.00 C ATOM 642 C PRO A 38 28.809 -4.067 -1.227 1.00 0.00 C ATOM 643 O PRO A 38 28.104 -3.087 -1.476 1.00 0.00 O ATOM 644 CB PRO A 38 30.058 -4.195 1.049 1.00 0.00 C ATOM 645 CG PRO A 38 29.970 -2.808 1.679 1.00 0.00 C ATOM 646 CD PRO A 38 30.913 -1.971 0.816 1.00 0.00 C ATOM 0 HA PRO A 38 30.750 -4.703 -1.007 1.00 0.00 H new ATOM 0 HB2 PRO A 38 29.176 -4.790 1.285 1.00 0.00 H new ATOM 0 HB3 PRO A 38 30.922 -4.743 1.425 1.00 0.00 H new ATOM 0 HG2 PRO A 38 28.952 -2.419 1.656 1.00 0.00 H new ATOM 0 HG3 PRO A 38 30.283 -2.819 2.723 1.00 0.00 H new ATOM 0 HD2 PRO A 38 30.602 -0.927 0.779 1.00 0.00 H new ATOM 0 HD3 PRO A 38 31.931 -1.987 1.204 1.00 0.00 H new ATOM 654 N ASP A 39 28.444 -5.306 -1.576 1.00 0.00 N ATOM 655 CA ASP A 39 27.162 -5.611 -2.279 1.00 0.00 C ATOM 656 C ASP A 39 25.998 -5.916 -1.280 1.00 0.00 C ATOM 657 O ASP A 39 26.221 -6.267 -0.118 1.00 0.00 O ATOM 658 CB ASP A 39 27.414 -6.813 -3.227 1.00 0.00 C ATOM 659 CG ASP A 39 28.341 -6.561 -4.421 1.00 0.00 C ATOM 660 OD1 ASP A 39 28.480 -5.477 -4.978 1.00 0.00 O ATOM 661 OD2 ASP A 39 28.974 -7.701 -4.823 1.00 0.00 O ATOM 0 H ASP A 39 29.014 -6.130 -1.387 1.00 0.00 H new ATOM 0 HA ASP A 39 26.846 -4.737 -2.848 1.00 0.00 H new ATOM 0 HB2 ASP A 39 27.831 -7.630 -2.638 1.00 0.00 H new ATOM 0 HB3 ASP A 39 26.452 -7.154 -3.609 1.00 0.00 H new ATOM 667 N LYS A 40 24.741 -5.810 -1.742 1.00 0.00 N ATOM 668 CA LYS A 40 23.553 -6.262 -0.970 1.00 0.00 C ATOM 669 C LYS A 40 22.775 -7.340 -1.774 1.00 0.00 C ATOM 670 O LYS A 40 22.286 -7.072 -2.872 1.00 0.00 O ATOM 671 CB LYS A 40 22.649 -5.068 -0.547 1.00 0.00 C ATOM 672 CG LYS A 40 22.924 -4.582 0.893 1.00 0.00 C ATOM 673 CD LYS A 40 21.971 -3.454 1.333 1.00 0.00 C ATOM 674 CE LYS A 40 22.122 -3.037 2.805 1.00 0.00 C ATOM 675 NZ LYS A 40 23.363 -2.274 3.047 1.00 0.00 N ATOM 0 H LYS A 40 24.512 -5.413 -2.653 1.00 0.00 H new ATOM 0 HA LYS A 40 23.896 -6.720 -0.042 1.00 0.00 H new ATOM 0 HB2 LYS A 40 22.803 -4.240 -1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 40 21.603 -5.364 -0.631 1.00 0.00 H new ATOM 0 HG2 LYS A 40 22.827 -5.422 1.580 1.00 0.00 H new ATOM 0 HG3 LYS A 40 23.953 -4.230 0.963 1.00 0.00 H new ATOM 0 HD2 LYS A 40 22.142 -2.582 0.701 1.00 0.00 H new ATOM 0 HD3 LYS A 40 20.943 -3.775 1.162 1.00 0.00 H new ATOM 0 HE2 LYS A 40 21.264 -2.433 3.099 1.00 0.00 H new ATOM 0 HE3 LYS A 40 22.116 -3.927 3.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 23.181 -1.528 3.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 24.100 -2.914 3.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 23.684 -1.841 2.157 1.00 0.00 H new ATOM 688 N GLU A 41 22.610 -8.544 -1.205 1.00 0.00 N ATOM 689 CA GLU A 41 21.620 -9.534 -1.710 1.00 0.00 C ATOM 690 C GLU A 41 20.387 -9.533 -0.759 1.00 0.00 C ATOM 691 O GLU A 41 20.454 -10.050 0.361 1.00 0.00 O ATOM 692 CB GLU A 41 22.290 -10.923 -1.862 1.00 0.00 C ATOM 693 CG GLU A 41 21.424 -11.947 -2.639 1.00 0.00 C ATOM 694 CD GLU A 41 22.079 -13.323 -2.739 1.00 0.00 C ATOM 695 OE1 GLU A 41 22.919 -13.610 -3.586 1.00 0.00 O ATOM 696 OE2 GLU A 41 21.625 -14.181 -1.779 1.00 0.00 O ATOM 0 H GLU A 41 23.143 -8.864 -0.397 1.00 0.00 H new ATOM 0 HA GLU A 41 21.263 -9.265 -2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 41 23.244 -10.803 -2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 41 22.509 -11.322 -0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 41 20.457 -12.045 -2.146 1.00 0.00 H new ATOM 0 HG3 GLU A 41 21.233 -11.567 -3.643 1.00 0.00 H new ATOM 704 N ILE A 42 19.264 -8.942 -1.198 1.00 0.00 N ATOM 705 CA ILE A 42 18.025 -8.882 -0.366 1.00 0.00 C ATOM 706 C ILE A 42 17.078 -10.039 -0.817 1.00 0.00 C ATOM 707 O ILE A 42 16.569 -10.051 -1.944 1.00 0.00 O ATOM 708 CB ILE A 42 17.353 -7.464 -0.360 1.00 0.00 C ATOM 709 CG1 ILE A 42 18.288 -6.359 0.219 1.00 0.00 C ATOM 710 CG2 ILE A 42 16.020 -7.495 0.443 1.00 0.00 C ATOM 711 CD1 ILE A 42 17.849 -4.913 -0.071 1.00 0.00 C ATOM 0 H ILE A 42 19.176 -8.500 -2.113 1.00 0.00 H new ATOM 0 HA ILE A 42 18.280 -9.035 0.683 1.00 0.00 H new ATOM 0 HB ILE A 42 17.151 -7.211 -1.401 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.356 -6.492 1.299 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.290 -6.505 -0.184 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.568 -6.503 0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 42 15.336 -8.209 -0.016 1.00 0.00 H new ATOM 0 HG23 ILE A 42 16.222 -7.795 1.471 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.564 -4.220 0.373 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.810 -4.754 -1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.862 -4.740 0.357 1.00 0.00 H new ATOM 723 N VAL A 43 16.810 -10.973 0.110 1.00 0.00 N ATOM 724 CA VAL A 43 15.811 -12.061 -0.097 1.00 0.00 C ATOM 725 C VAL A 43 14.519 -11.652 0.685 1.00 0.00 C ATOM 726 O VAL A 43 14.397 -11.924 1.883 1.00 0.00 O ATOM 727 CB VAL A 43 16.414 -13.453 0.312 1.00 0.00 C ATOM 728 CG1 VAL A 43 15.412 -14.620 0.144 1.00 0.00 C ATOM 729 CG2 VAL A 43 17.693 -13.842 -0.472 1.00 0.00 C ATOM 0 H VAL A 43 17.269 -11.005 1.020 1.00 0.00 H new ATOM 0 HA VAL A 43 15.545 -12.184 -1.147 1.00 0.00 H new ATOM 0 HB VAL A 43 16.662 -13.310 1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.888 -15.554 0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 43 14.538 -14.442 0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 43 15.103 -14.687 -0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 43 18.047 -14.815 -0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 43 17.466 -13.891 -1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 43 18.467 -13.094 -0.300 1.00 0.00 H new ATOM 739 N GLN A 44 13.560 -10.995 0.002 1.00 0.00 N ATOM 740 CA GLN A 44 12.240 -10.632 0.594 1.00 0.00 C ATOM 741 C GLN A 44 11.196 -11.752 0.281 1.00 0.00 C ATOM 742 O GLN A 44 10.568 -11.763 -0.783 1.00 0.00 O ATOM 743 CB GLN A 44 11.881 -9.206 0.083 1.00 0.00 C ATOM 744 CG GLN A 44 10.630 -8.520 0.704 1.00 0.00 C ATOM 745 CD GLN A 44 9.236 -9.037 0.324 1.00 0.00 C ATOM 746 OE1 GLN A 44 8.456 -9.473 1.166 1.00 0.00 O ATOM 747 NE2 GLN A 44 8.862 -8.993 -0.935 1.00 0.00 N ATOM 0 H GLN A 44 13.669 -10.700 -0.968 1.00 0.00 H new ATOM 0 HA GLN A 44 12.256 -10.580 1.683 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.741 -8.559 0.256 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.735 -9.261 -0.996 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.722 -8.586 1.788 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.671 -7.462 0.445 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.500 -8.633 -1.644 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.933 -9.319 -1.203 1.00 0.00 H new ATOM 756 N ASP A 45 11.025 -12.706 1.209 1.00 0.00 N ATOM 757 CA ASP A 45 10.096 -13.856 1.037 1.00 0.00 C ATOM 758 C ASP A 45 8.768 -13.625 1.835 1.00 0.00 C ATOM 759 O ASP A 45 8.541 -14.237 2.882 1.00 0.00 O ATOM 760 CB ASP A 45 10.912 -15.115 1.443 1.00 0.00 C ATOM 761 CG ASP A 45 10.236 -16.446 1.124 1.00 0.00 C ATOM 762 OD1 ASP A 45 9.766 -17.198 1.970 1.00 0.00 O ATOM 763 OD2 ASP A 45 10.219 -16.710 -0.212 1.00 0.00 O ATOM 0 H ASP A 45 11.521 -12.711 2.100 1.00 0.00 H new ATOM 0 HA ASP A 45 9.747 -13.983 0.012 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.877 -15.084 0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.111 -15.072 2.514 1.00 0.00 H new ATOM 769 N GLY A 46 7.894 -12.727 1.333 1.00 0.00 N ATOM 770 CA GLY A 46 6.583 -12.415 1.977 1.00 0.00 C ATOM 771 C GLY A 46 6.623 -11.918 3.439 1.00 0.00 C ATOM 772 O GLY A 46 6.294 -12.681 4.347 1.00 0.00 O ATOM 0 H GLY A 46 8.067 -12.198 0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.081 -11.658 1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.965 -13.312 1.941 1.00 0.00 H new ATOM 776 N ASP A 47 7.091 -10.679 3.660 1.00 0.00 N ATOM 777 CA ASP A 47 7.467 -10.157 5.016 1.00 0.00 C ATOM 778 C ASP A 47 8.753 -10.739 5.707 1.00 0.00 C ATOM 779 O ASP A 47 9.398 -10.006 6.457 1.00 0.00 O ATOM 780 CB ASP A 47 6.269 -9.893 5.979 1.00 0.00 C ATOM 781 CG ASP A 47 5.756 -11.062 6.822 1.00 0.00 C ATOM 782 OD1 ASP A 47 6.395 -11.579 7.734 1.00 0.00 O ATOM 783 OD2 ASP A 47 4.504 -11.455 6.458 1.00 0.00 O ATOM 0 H ASP A 47 7.225 -9.998 2.913 1.00 0.00 H new ATOM 0 HA ASP A 47 7.829 -9.167 4.739 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.557 -9.092 6.659 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.436 -9.520 5.382 1.00 0.00 H new ATOM 789 N HIS A 48 9.151 -12.004 5.475 1.00 0.00 N ATOM 790 CA HIS A 48 10.467 -12.537 5.928 1.00 0.00 C ATOM 791 C HIS A 48 11.615 -12.018 5.006 1.00 0.00 C ATOM 792 O HIS A 48 11.833 -12.521 3.899 1.00 0.00 O ATOM 793 CB HIS A 48 10.412 -14.084 6.030 1.00 0.00 C ATOM 794 CG HIS A 48 11.632 -14.784 6.656 1.00 0.00 C ATOM 795 ND1 HIS A 48 11.904 -16.125 6.427 1.00 0.00 N ATOM 796 CD2 HIS A 48 12.572 -14.245 7.566 1.00 0.00 C ATOM 797 CE1 HIS A 48 13.008 -16.273 7.228 1.00 0.00 C ATOM 798 NE2 HIS A 48 13.486 -15.209 7.944 1.00 0.00 N ATOM 0 H HIS A 48 8.582 -12.686 4.974 1.00 0.00 H new ATOM 0 HA HIS A 48 10.688 -12.166 6.929 1.00 0.00 H new ATOM 0 HB2 HIS A 48 9.530 -14.355 6.611 1.00 0.00 H new ATOM 0 HB3 HIS A 48 10.268 -14.485 5.027 1.00 0.00 H new ATOM 0 HD2 HIS A 48 12.574 -13.223 7.916 1.00 0.00 H new ATOM 0 HE1 HIS A 48 13.501 -17.232 7.294 1.00 0.00 H new ATOM 0 HE2 HIS A 48 14.286 -15.146 8.574 1.00 0.00 H new ATOM 806 N MET A 49 12.320 -10.979 5.468 1.00 0.00 N ATOM 807 CA MET A 49 13.288 -10.224 4.646 1.00 0.00 C ATOM 808 C MET A 49 14.717 -10.373 5.234 1.00 0.00 C ATOM 809 O MET A 49 14.994 -10.003 6.382 1.00 0.00 O ATOM 810 CB MET A 49 12.749 -8.781 4.512 1.00 0.00 C ATOM 811 CG MET A 49 13.605 -7.837 3.640 1.00 0.00 C ATOM 812 SD MET A 49 12.641 -6.660 2.658 1.00 0.00 S ATOM 813 CE MET A 49 11.326 -6.090 3.751 1.00 0.00 C ATOM 0 H MET A 49 12.239 -10.633 6.424 1.00 0.00 H new ATOM 0 HA MET A 49 13.387 -10.614 3.633 1.00 0.00 H new ATOM 0 HB2 MET A 49 11.743 -8.823 4.094 1.00 0.00 H new ATOM 0 HB3 MET A 49 12.662 -8.349 5.509 1.00 0.00 H new ATOM 0 HG2 MET A 49 14.287 -7.283 4.285 1.00 0.00 H new ATOM 0 HG3 MET A 49 14.219 -8.437 2.968 1.00 0.00 H new ATOM 0 HE1 MET A 49 10.903 -5.165 3.360 1.00 0.00 H new ATOM 0 HE2 MET A 49 10.546 -6.849 3.809 1.00 0.00 H new ATOM 0 HE3 MET A 49 11.732 -5.911 4.746 1.00 0.00 H new ATOM 823 N ILE A 50 15.612 -10.946 4.414 1.00 0.00 N ATOM 824 CA ILE A 50 17.020 -11.209 4.803 1.00 0.00 C ATOM 825 C ILE A 50 17.903 -10.173 4.037 1.00 0.00 C ATOM 826 O ILE A 50 18.118 -10.298 2.825 1.00 0.00 O ATOM 827 CB ILE A 50 17.431 -12.710 4.576 1.00 0.00 C ATOM 828 CG1 ILE A 50 16.537 -13.772 5.296 1.00 0.00 C ATOM 829 CG2 ILE A 50 18.897 -12.947 5.019 1.00 0.00 C ATOM 830 CD1 ILE A 50 15.299 -14.232 4.503 1.00 0.00 C ATOM 0 H ILE A 50 15.388 -11.242 3.464 1.00 0.00 H new ATOM 0 HA ILE A 50 17.166 -11.073 5.875 1.00 0.00 H new ATOM 0 HB ILE A 50 17.295 -12.857 3.505 1.00 0.00 H new ATOM 0 HG12 ILE A 50 17.149 -14.645 5.523 1.00 0.00 H new ATOM 0 HG13 ILE A 50 16.206 -13.359 6.249 1.00 0.00 H new ATOM 0 HG21 ILE A 50 19.163 -13.991 4.854 1.00 0.00 H new ATOM 0 HG22 ILE A 50 19.561 -12.308 4.437 1.00 0.00 H new ATOM 0 HG23 ILE A 50 19.000 -12.709 6.078 1.00 0.00 H new ATOM 0 HD11 ILE A 50 14.746 -14.967 5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 50 14.658 -13.374 4.299 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.616 -14.680 3.561 1.00 0.00 H new ATOM 842 N ILE A 51 18.429 -9.168 4.761 1.00 0.00 N ATOM 843 CA ILE A 51 19.328 -8.129 4.177 1.00 0.00 C ATOM 844 C ILE A 51 20.799 -8.650 4.279 1.00 0.00 C ATOM 845 O ILE A 51 21.436 -8.549 5.336 1.00 0.00 O ATOM 846 CB ILE A 51 19.148 -6.724 4.863 1.00 0.00 C ATOM 847 CG1 ILE A 51 17.695 -6.201 5.063 1.00 0.00 C ATOM 848 CG2 ILE A 51 20.003 -5.630 4.172 1.00 0.00 C ATOM 849 CD1 ILE A 51 16.856 -5.983 3.796 1.00 0.00 C ATOM 0 H ILE A 51 18.252 -9.045 5.758 1.00 0.00 H new ATOM 0 HA ILE A 51 19.065 -7.969 3.131 1.00 0.00 H new ATOM 0 HB ILE A 51 19.507 -6.923 5.873 1.00 0.00 H new ATOM 0 HG12 ILE A 51 17.166 -6.906 5.704 1.00 0.00 H new ATOM 0 HG13 ILE A 51 17.746 -5.256 5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 51 19.850 -4.676 4.676 1.00 0.00 H new ATOM 0 HG22 ILE A 51 21.057 -5.904 4.226 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.704 -5.541 3.128 1.00 0.00 H new ATOM 0 HD11 ILE A 51 15.867 -5.618 4.073 1.00 0.00 H new ATOM 0 HD12 ILE A 51 17.347 -5.250 3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 51 16.758 -6.926 3.258 1.00 0.00 H new ATOM 861 N ARG A 52 21.346 -9.194 3.179 1.00 0.00 N ATOM 862 CA ARG A 52 22.733 -9.731 3.165 1.00 0.00 C ATOM 863 C ARG A 52 23.708 -8.642 2.638 1.00 0.00 C ATOM 864 O ARG A 52 23.882 -8.507 1.426 1.00 0.00 O ATOM 865 CB ARG A 52 22.826 -11.036 2.326 1.00 0.00 C ATOM 866 CG ARG A 52 21.874 -12.179 2.737 1.00 0.00 C ATOM 867 CD ARG A 52 22.164 -13.500 2.008 1.00 0.00 C ATOM 868 NE ARG A 52 21.207 -14.529 2.490 1.00 0.00 N ATOM 869 CZ ARG A 52 21.500 -15.574 3.262 1.00 0.00 C ATOM 870 NH1 ARG A 52 22.710 -15.889 3.669 1.00 0.00 N ATOM 871 NH2 ARG A 52 20.513 -16.337 3.643 1.00 0.00 N ATOM 0 H ARG A 52 20.858 -9.277 2.287 1.00 0.00 H new ATOM 0 HA ARG A 52 23.020 -9.991 4.184 1.00 0.00 H new ATOM 0 HB2 ARG A 52 22.632 -10.787 1.283 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.850 -11.406 2.381 1.00 0.00 H new ATOM 0 HG2 ARG A 52 21.953 -12.340 3.812 1.00 0.00 H new ATOM 0 HG3 ARG A 52 20.846 -11.878 2.534 1.00 0.00 H new ATOM 0 HD2 ARG A 52 22.065 -13.367 0.931 1.00 0.00 H new ATOM 0 HD3 ARG A 52 23.189 -13.819 2.197 1.00 0.00 H new ATOM 0 HE ARG A 52 20.234 -14.425 2.203 1.00 0.00 H new ATOM 0 HH11 ARG A 52 23.506 -15.314 3.393 1.00 0.00 H new ATOM 0 HH12 ARG A 52 22.852 -16.708 4.260 1.00 0.00 H new ATOM 0 HH21 ARG A 52 19.560 -16.123 3.349 1.00 0.00 H new ATOM 0 HH22 ARG A 52 20.694 -17.148 4.235 1.00 0.00 H new ATOM 885 N THR A 53 24.359 -7.881 3.538 1.00 0.00 N ATOM 886 CA THR A 53 25.474 -6.963 3.147 1.00 0.00 C ATOM 887 C THR A 53 26.794 -7.790 3.050 1.00 0.00 C ATOM 888 O THR A 53 27.251 -8.381 4.035 1.00 0.00 O ATOM 889 CB THR A 53 25.601 -5.760 4.121 1.00 0.00 C ATOM 890 OG1 THR A 53 24.330 -5.158 4.340 1.00 0.00 O ATOM 891 CG2 THR A 53 26.522 -4.636 3.618 1.00 0.00 C ATOM 0 H THR A 53 24.143 -7.875 4.535 1.00 0.00 H new ATOM 0 HA THR A 53 25.259 -6.527 2.171 1.00 0.00 H new ATOM 0 HB THR A 53 26.027 -6.190 5.028 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.428 -4.403 4.957 1.00 0.00 H new ATOM 0 HG21 THR A 53 26.555 -3.835 4.357 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.527 -5.030 3.464 1.00 0.00 H new ATOM 0 HG23 THR A 53 26.138 -4.245 2.676 1.00 0.00 H new ATOM 899 N LEU A 54 27.345 -7.862 1.833 1.00 0.00 N ATOM 900 CA LEU A 54 28.393 -8.843 1.462 1.00 0.00 C ATOM 901 C LEU A 54 29.673 -8.076 1.021 1.00 0.00 C ATOM 902 O LEU A 54 29.689 -7.382 -0.003 1.00 0.00 O ATOM 903 CB LEU A 54 27.880 -9.736 0.298 1.00 0.00 C ATOM 904 CG LEU A 54 26.616 -10.607 0.541 1.00 0.00 C ATOM 905 CD1 LEU A 54 26.056 -11.111 -0.801 1.00 0.00 C ATOM 906 CD2 LEU A 54 26.895 -11.793 1.477 1.00 0.00 C ATOM 0 H LEU A 54 27.081 -7.242 1.068 1.00 0.00 H new ATOM 0 HA LEU A 54 28.627 -9.477 2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.678 -9.088 -0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.692 -10.402 0.007 1.00 0.00 H new ATOM 0 HG LEU A 54 25.876 -9.975 1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 54 25.171 -11.720 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 54 25.789 -10.259 -1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 54 26.812 -11.711 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 54 25.981 -12.370 1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 54 27.664 -12.430 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 54 27.239 -11.422 2.442 1.00 0.00 H new ATOM 918 N SER A 55 30.749 -8.213 1.801 1.00 0.00 N ATOM 919 CA SER A 55 32.040 -7.521 1.531 1.00 0.00 C ATOM 920 C SER A 55 33.111 -8.456 0.891 1.00 0.00 C ATOM 921 O SER A 55 33.496 -8.242 -0.258 1.00 0.00 O ATOM 922 CB SER A 55 32.452 -6.830 2.856 1.00 0.00 C ATOM 923 OG SER A 55 33.677 -6.112 2.730 1.00 0.00 O ATOM 0 H SER A 55 30.764 -8.800 2.635 1.00 0.00 H new ATOM 0 HA SER A 55 31.934 -6.758 0.760 1.00 0.00 H new ATOM 0 HB2 SER A 55 31.662 -6.146 3.168 1.00 0.00 H new ATOM 0 HB3 SER A 55 32.552 -7.581 3.640 1.00 0.00 H new ATOM 0 HG SER A 55 33.899 -5.691 3.587 1.00 0.00 H new ATOM 929 N THR A 56 33.585 -9.451 1.657 1.00 0.00 N ATOM 930 CA THR A 56 34.733 -10.366 1.338 1.00 0.00 C ATOM 931 C THR A 56 35.209 -10.985 2.694 1.00 0.00 C ATOM 932 O THR A 56 35.101 -12.195 2.897 1.00 0.00 O ATOM 933 CB THR A 56 35.902 -9.858 0.420 1.00 0.00 C ATOM 934 OG1 THR A 56 36.845 -10.901 0.207 1.00 0.00 O ATOM 935 CG2 THR A 56 36.697 -8.623 0.881 1.00 0.00 C ATOM 0 H THR A 56 33.170 -9.664 2.564 1.00 0.00 H new ATOM 0 HA THR A 56 34.337 -11.113 0.650 1.00 0.00 H new ATOM 0 HB THR A 56 35.369 -9.546 -0.478 1.00 0.00 H new ATOM 0 HG1 THR A 56 37.569 -10.575 -0.368 1.00 0.00 H new ATOM 0 HG21 THR A 56 37.469 -8.392 0.147 1.00 0.00 H new ATOM 0 HG22 THR A 56 36.023 -7.772 0.978 1.00 0.00 H new ATOM 0 HG23 THR A 56 37.163 -8.829 1.845 1.00 0.00 H new ATOM 943 N PHE A 57 35.675 -10.143 3.637 1.00 0.00 N ATOM 944 CA PHE A 57 35.779 -10.503 5.079 1.00 0.00 C ATOM 945 C PHE A 57 34.402 -10.465 5.850 1.00 0.00 C ATOM 946 O PHE A 57 34.080 -11.408 6.576 1.00 0.00 O ATOM 947 CB PHE A 57 36.939 -9.654 5.703 1.00 0.00 C ATOM 948 CG PHE A 57 36.606 -8.246 6.239 1.00 0.00 C ATOM 949 CD1 PHE A 57 36.280 -7.206 5.362 1.00 0.00 C ATOM 950 CD2 PHE A 57 36.522 -8.031 7.620 1.00 0.00 C ATOM 951 CE1 PHE A 57 35.835 -5.985 5.859 1.00 0.00 C ATOM 952 CE2 PHE A 57 36.103 -6.799 8.115 1.00 0.00 C ATOM 953 CZ PHE A 57 35.754 -5.779 7.234 1.00 0.00 C ATOM 0 H PHE A 57 35.991 -9.196 3.429 1.00 0.00 H new ATOM 0 HA PHE A 57 36.042 -11.555 5.185 1.00 0.00 H new ATOM 0 HB2 PHE A 57 37.368 -10.229 6.523 1.00 0.00 H new ATOM 0 HB3 PHE A 57 37.717 -9.547 4.947 1.00 0.00 H new ATOM 0 HD1 PHE A 57 36.374 -7.351 4.296 1.00 0.00 H new ATOM 0 HD2 PHE A 57 36.783 -8.825 8.304 1.00 0.00 H new ATOM 0 HE1 PHE A 57 35.552 -5.196 5.178 1.00 0.00 H new ATOM 0 HE2 PHE A 57 36.049 -6.635 9.181 1.00 0.00 H new ATOM 0 HZ PHE A 57 35.420 -4.826 7.618 1.00 0.00 H new ATOM 963 N ARG A 58 33.612 -9.377 5.707 1.00 0.00 N ATOM 964 CA ARG A 58 32.395 -9.132 6.524 1.00 0.00 C ATOM 965 C ARG A 58 31.081 -9.624 5.833 1.00 0.00 C ATOM 966 O ARG A 58 30.811 -9.358 4.656 1.00 0.00 O ATOM 967 CB ARG A 58 32.352 -7.609 6.842 1.00 0.00 C ATOM 968 CG ARG A 58 31.264 -7.106 7.828 1.00 0.00 C ATOM 969 CD ARG A 58 31.433 -7.546 9.299 1.00 0.00 C ATOM 970 NE ARG A 58 30.790 -8.864 9.569 1.00 0.00 N ATOM 971 CZ ARG A 58 31.366 -9.899 10.178 1.00 0.00 C ATOM 972 NH1 ARG A 58 32.574 -9.884 10.698 1.00 0.00 N ATOM 973 NH2 ARG A 58 30.683 -11.006 10.255 1.00 0.00 N ATOM 0 H ARG A 58 33.797 -8.643 5.023 1.00 0.00 H new ATOM 0 HA ARG A 58 32.452 -9.715 7.443 1.00 0.00 H new ATOM 0 HB2 ARG A 58 33.325 -7.323 7.242 1.00 0.00 H new ATOM 0 HB3 ARG A 58 32.224 -7.074 5.901 1.00 0.00 H new ATOM 0 HG2 ARG A 58 31.246 -6.017 7.794 1.00 0.00 H new ATOM 0 HG3 ARG A 58 30.293 -7.452 7.475 1.00 0.00 H new ATOM 0 HD2 ARG A 58 32.495 -7.605 9.539 1.00 0.00 H new ATOM 0 HD3 ARG A 58 31.000 -6.791 9.955 1.00 0.00 H new ATOM 0 HE ARG A 58 29.825 -8.983 9.260 1.00 0.00 H new ATOM 0 HH11 ARG A 58 33.139 -9.036 10.650 1.00 0.00 H new ATOM 0 HH12 ARG A 58 32.945 -10.720 11.149 1.00 0.00 H new ATOM 0 HH21 ARG A 58 29.745 -11.055 9.857 1.00 0.00 H new ATOM 0 HH22 ARG A 58 31.086 -11.823 10.713 1.00 0.00 H new ATOM 987 N ASN A 59 30.239 -10.283 6.640 1.00 0.00 N ATOM 988 CA ASN A 59 28.811 -10.548 6.315 1.00 0.00 C ATOM 989 C ASN A 59 27.918 -9.920 7.440 1.00 0.00 C ATOM 990 O ASN A 59 28.211 -10.085 8.631 1.00 0.00 O ATOM 991 CB ASN A 59 28.575 -12.081 6.240 1.00 0.00 C ATOM 992 CG ASN A 59 29.244 -12.829 5.080 1.00 0.00 C ATOM 993 OD1 ASN A 59 28.688 -12.967 3.998 1.00 0.00 O ATOM 994 ND2 ASN A 59 30.432 -13.355 5.266 1.00 0.00 N ATOM 0 H ASN A 59 30.522 -10.655 7.547 1.00 0.00 H new ATOM 0 HA ASN A 59 28.553 -10.105 5.353 1.00 0.00 H new ATOM 0 HB2 ASN A 59 28.921 -12.524 7.174 1.00 0.00 H new ATOM 0 HB3 ASN A 59 27.501 -12.257 6.183 1.00 0.00 H new ATOM 0 HD21 ASN A 59 30.884 -13.873 4.513 1.00 0.00 H new ATOM 0 HD22 ASN A 59 30.903 -13.245 6.164 1.00 0.00 H new ATOM 1001 N TYR A 60 26.822 -9.222 7.088 1.00 0.00 N ATOM 1002 CA TYR A 60 25.818 -8.748 8.102 1.00 0.00 C ATOM 1003 C TYR A 60 24.617 -9.735 8.288 1.00 0.00 C ATOM 1004 O TYR A 60 24.416 -10.234 9.394 1.00 0.00 O ATOM 1005 CB TYR A 60 25.368 -7.278 7.846 1.00 0.00 C ATOM 1006 CG TYR A 60 26.360 -6.102 8.041 1.00 0.00 C ATOM 1007 CD1 TYR A 60 27.580 -6.211 8.724 1.00 0.00 C ATOM 1008 CD2 TYR A 60 25.977 -4.850 7.542 1.00 0.00 C ATOM 1009 CE1 TYR A 60 28.408 -5.100 8.875 1.00 0.00 C ATOM 1010 CE2 TYR A 60 26.814 -3.745 7.679 1.00 0.00 C ATOM 1011 CZ TYR A 60 28.029 -3.872 8.340 1.00 0.00 C ATOM 1012 OH TYR A 60 28.852 -2.784 8.465 1.00 0.00 O ATOM 0 H TYR A 60 26.597 -8.968 6.126 1.00 0.00 H new ATOM 0 HA TYR A 60 26.335 -8.745 9.061 1.00 0.00 H new ATOM 0 HB2 TYR A 60 25.008 -7.227 6.819 1.00 0.00 H new ATOM 0 HB3 TYR A 60 24.512 -7.087 8.494 1.00 0.00 H new ATOM 0 HD1 TYR A 60 27.880 -7.163 9.136 1.00 0.00 H new ATOM 0 HD2 TYR A 60 25.024 -4.741 7.046 1.00 0.00 H new ATOM 0 HE1 TYR A 60 29.343 -5.192 9.407 1.00 0.00 H new ATOM 0 HE2 TYR A 60 26.518 -2.790 7.271 1.00 0.00 H new ATOM 0 HH TYR A 60 28.436 -2.008 8.034 1.00 0.00 H new ATOM 1022 N ILE A 61 23.815 -10.016 7.241 1.00 0.00 N ATOM 1023 CA ILE A 61 22.693 -11.022 7.284 1.00 0.00 C ATOM 1024 C ILE A 61 21.534 -10.636 8.290 1.00 0.00 C ATOM 1025 O ILE A 61 21.176 -11.415 9.185 1.00 0.00 O ATOM 1026 CB ILE A 61 23.183 -12.524 7.405 1.00 0.00 C ATOM 1027 CG1 ILE A 61 24.511 -12.931 6.691 1.00 0.00 C ATOM 1028 CG2 ILE A 61 22.081 -13.552 7.031 1.00 0.00 C ATOM 1029 CD1 ILE A 61 24.562 -12.799 5.159 1.00 0.00 C ATOM 0 H ILE A 61 23.913 -9.561 6.334 1.00 0.00 H new ATOM 0 HA ILE A 61 22.230 -10.969 6.299 1.00 0.00 H new ATOM 0 HB ILE A 61 23.415 -12.559 8.470 1.00 0.00 H new ATOM 0 HG12 ILE A 61 25.316 -12.326 7.108 1.00 0.00 H new ATOM 0 HG13 ILE A 61 24.726 -13.968 6.947 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.476 -14.563 7.133 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.227 -13.428 7.696 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.765 -13.388 6.001 1.00 0.00 H new ATOM 0 HD11 ILE A 61 25.541 -13.115 4.799 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.791 -13.428 4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.390 -11.760 4.877 1.00 0.00 H new ATOM 1041 N MET A 62 20.904 -9.450 8.134 1.00 0.00 N ATOM 1042 CA MET A 62 19.801 -9.001 9.035 1.00 0.00 C ATOM 1043 C MET A 62 18.471 -9.694 8.621 1.00 0.00 C ATOM 1044 O MET A 62 17.875 -9.372 7.589 1.00 0.00 O ATOM 1045 CB MET A 62 19.654 -7.457 9.062 1.00 0.00 C ATOM 1046 CG MET A 62 20.673 -6.716 9.948 1.00 0.00 C ATOM 1047 SD MET A 62 20.212 -4.977 10.125 1.00 0.00 S ATOM 1048 CE MET A 62 18.895 -5.080 11.360 1.00 0.00 C ATOM 0 H MET A 62 21.134 -8.783 7.397 1.00 0.00 H new ATOM 0 HA MET A 62 20.053 -9.299 10.053 1.00 0.00 H new ATOM 0 HB2 MET A 62 19.743 -7.082 8.042 1.00 0.00 H new ATOM 0 HB3 MET A 62 18.650 -7.210 9.406 1.00 0.00 H new ATOM 0 HG2 MET A 62 20.721 -7.187 10.930 1.00 0.00 H new ATOM 0 HG3 MET A 62 21.668 -6.792 9.509 1.00 0.00 H new ATOM 0 HE1 MET A 62 18.023 -4.528 11.009 1.00 0.00 H new ATOM 0 HE2 MET A 62 18.624 -6.124 11.517 1.00 0.00 H new ATOM 0 HE3 MET A 62 19.243 -4.650 12.299 1.00 0.00 H new ATOM 1058 N ASP A 63 18.063 -10.688 9.418 1.00 0.00 N ATOM 1059 CA ASP A 63 17.069 -11.705 9.018 1.00 0.00 C ATOM 1060 C ASP A 63 15.791 -11.611 9.908 1.00 0.00 C ATOM 1061 O ASP A 63 15.834 -11.912 11.104 1.00 0.00 O ATOM 1062 CB ASP A 63 17.812 -13.072 9.024 1.00 0.00 C ATOM 1063 CG ASP A 63 18.429 -13.603 10.326 1.00 0.00 C ATOM 1064 OD1 ASP A 63 17.844 -14.386 11.068 1.00 0.00 O ATOM 1065 OD2 ASP A 63 19.698 -13.130 10.551 1.00 0.00 O ATOM 0 H ASP A 63 18.413 -10.815 10.368 1.00 0.00 H new ATOM 0 HA ASP A 63 16.675 -11.551 8.013 1.00 0.00 H new ATOM 0 HB2 ASP A 63 17.109 -13.825 8.667 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.613 -13.009 8.287 1.00 0.00 H new ATOM 1071 N PHE A 64 14.667 -11.131 9.342 1.00 0.00 N ATOM 1072 CA PHE A 64 13.507 -10.657 10.157 1.00 0.00 C ATOM 1073 C PHE A 64 12.135 -10.793 9.428 1.00 0.00 C ATOM 1074 O PHE A 64 12.020 -10.544 8.226 1.00 0.00 O ATOM 1075 CB PHE A 64 13.747 -9.188 10.642 1.00 0.00 C ATOM 1076 CG PHE A 64 14.049 -8.112 9.573 1.00 0.00 C ATOM 1077 CD1 PHE A 64 13.027 -7.599 8.767 1.00 0.00 C ATOM 1078 CD2 PHE A 64 15.372 -7.728 9.329 1.00 0.00 C ATOM 1079 CE1 PHE A 64 13.333 -6.773 7.690 1.00 0.00 C ATOM 1080 CE2 PHE A 64 15.672 -6.887 8.260 1.00 0.00 C ATOM 1081 CZ PHE A 64 14.654 -6.424 7.431 1.00 0.00 C ATOM 0 H PHE A 64 14.528 -11.057 8.334 1.00 0.00 H new ATOM 0 HA PHE A 64 13.446 -11.315 11.024 1.00 0.00 H new ATOM 0 HB2 PHE A 64 12.863 -8.870 11.196 1.00 0.00 H new ATOM 0 HB3 PHE A 64 14.578 -9.201 11.348 1.00 0.00 H new ATOM 0 HD1 PHE A 64 11.997 -7.845 8.981 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.163 -8.085 9.972 1.00 0.00 H new ATOM 0 HE1 PHE A 64 12.543 -6.402 7.054 1.00 0.00 H new ATOM 0 HE2 PHE A 64 16.695 -6.594 8.074 1.00 0.00 H new ATOM 0 HZ PHE A 64 14.890 -5.794 6.586 1.00 0.00 H new ATOM 1091 N GLN A 65 11.066 -11.084 10.186 1.00 0.00 N ATOM 1092 CA GLN A 65 9.668 -10.821 9.743 1.00 0.00 C ATOM 1093 C GLN A 65 9.285 -9.328 10.010 1.00 0.00 C ATOM 1094 O GLN A 65 9.363 -8.849 11.148 1.00 0.00 O ATOM 1095 CB GLN A 65 8.697 -11.787 10.475 1.00 0.00 C ATOM 1096 CG GLN A 65 8.607 -13.237 9.925 1.00 0.00 C ATOM 1097 CD GLN A 65 9.694 -14.221 10.388 1.00 0.00 C ATOM 1098 OE1 GLN A 65 10.373 -14.054 11.397 1.00 0.00 O ATOM 1099 NE2 GLN A 65 9.852 -15.325 9.700 1.00 0.00 N ATOM 0 H GLN A 65 11.133 -11.503 11.113 1.00 0.00 H new ATOM 0 HA GLN A 65 9.590 -10.999 8.670 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.994 -11.839 11.522 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.699 -11.351 10.448 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.636 -13.647 10.204 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.632 -13.190 8.836 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.299 -15.485 8.858 1.00 0.00 H new ATOM 0 HE22 GLN A 65 10.528 -16.024 10.006 1.00 0.00 H new ATOM 1108 N VAL A 66 8.839 -8.600 8.967 1.00 0.00 N ATOM 1109 CA VAL A 66 8.410 -7.171 9.092 1.00 0.00 C ATOM 1110 C VAL A 66 7.120 -7.057 9.985 1.00 0.00 C ATOM 1111 O VAL A 66 6.095 -7.689 9.709 1.00 0.00 O ATOM 1112 CB VAL A 66 8.221 -6.503 7.684 1.00 0.00 C ATOM 1113 CG1 VAL A 66 7.937 -4.986 7.789 1.00 0.00 C ATOM 1114 CG2 VAL A 66 9.418 -6.642 6.716 1.00 0.00 C ATOM 0 H VAL A 66 8.762 -8.970 8.020 1.00 0.00 H new ATOM 0 HA VAL A 66 9.204 -6.617 9.593 1.00 0.00 H new ATOM 0 HB VAL A 66 7.374 -7.057 7.281 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.814 -4.569 6.790 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.025 -4.826 8.364 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.772 -4.493 8.287 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.184 -6.146 5.774 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.300 -6.180 7.159 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.616 -7.698 6.531 1.00 0.00 H new ATOM 1124 N GLY A 67 7.215 -6.290 11.082 1.00 0.00 N ATOM 1125 CA GLY A 67 6.276 -6.403 12.233 1.00 0.00 C ATOM 1126 C GLY A 67 6.893 -6.853 13.582 1.00 0.00 C ATOM 1127 O GLY A 67 6.461 -6.362 14.626 1.00 0.00 O ATOM 0 H GLY A 67 7.934 -5.577 11.206 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.799 -5.434 12.381 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.489 -7.108 11.965 1.00 0.00 H new ATOM 1131 N LYS A 68 7.849 -7.802 13.588 1.00 0.00 N ATOM 1132 CA LYS A 68 8.388 -8.405 14.839 1.00 0.00 C ATOM 1133 C LYS A 68 9.475 -7.530 15.552 1.00 0.00 C ATOM 1134 O LYS A 68 10.360 -6.945 14.918 1.00 0.00 O ATOM 1135 CB LYS A 68 8.967 -9.819 14.546 1.00 0.00 C ATOM 1136 CG LYS A 68 7.956 -10.903 14.100 1.00 0.00 C ATOM 1137 CD LYS A 68 8.549 -12.323 14.216 1.00 0.00 C ATOM 1138 CE LYS A 68 7.585 -13.414 13.725 1.00 0.00 C ATOM 1139 NZ LYS A 68 8.288 -14.712 13.701 1.00 0.00 N ATOM 0 H LYS A 68 8.271 -8.175 12.738 1.00 0.00 H new ATOM 0 HA LYS A 68 7.544 -8.470 15.526 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.727 -9.722 13.770 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.472 -10.173 15.445 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.056 -10.834 14.711 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.656 -10.718 13.069 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.472 -12.374 13.639 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.812 -12.518 15.256 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.716 -13.470 14.381 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.217 -13.168 12.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.613 -15.468 13.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.041 -14.686 12.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.706 -14.898 14.635 1.00 0.00 H new ATOM 1152 N GLU A 69 9.423 -7.519 16.896 1.00 0.00 N ATOM 1153 CA GLU A 69 10.470 -6.905 17.758 1.00 0.00 C ATOM 1154 C GLU A 69 11.482 -8.004 18.233 1.00 0.00 C ATOM 1155 O GLU A 69 11.173 -8.803 19.123 1.00 0.00 O ATOM 1156 CB GLU A 69 9.709 -6.163 18.891 1.00 0.00 C ATOM 1157 CG GLU A 69 10.605 -5.367 19.871 1.00 0.00 C ATOM 1158 CD GLU A 69 9.853 -4.302 20.667 1.00 0.00 C ATOM 1159 OE1 GLU A 69 9.671 -3.157 20.258 1.00 0.00 O ATOM 1160 OE2 GLU A 69 9.404 -4.775 21.867 1.00 0.00 O ATOM 0 H GLU A 69 8.655 -7.934 17.424 1.00 0.00 H new ATOM 0 HA GLU A 69 11.096 -6.178 17.240 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.993 -5.477 18.438 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.134 -6.893 19.460 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.075 -6.063 20.566 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.407 -4.888 19.309 1.00 0.00 H new ATOM 1168 N PHE A 70 12.672 -8.062 17.608 1.00 0.00 N ATOM 1169 CA PHE A 70 13.650 -9.182 17.778 1.00 0.00 C ATOM 1170 C PHE A 70 14.990 -8.732 18.447 1.00 0.00 C ATOM 1171 O PHE A 70 15.494 -7.640 18.177 1.00 0.00 O ATOM 1172 CB PHE A 70 13.875 -9.868 16.391 1.00 0.00 C ATOM 1173 CG PHE A 70 14.657 -9.088 15.308 1.00 0.00 C ATOM 1174 CD1 PHE A 70 13.985 -8.229 14.433 1.00 0.00 C ATOM 1175 CD2 PHE A 70 16.050 -9.208 15.213 1.00 0.00 C ATOM 1176 CE1 PHE A 70 14.696 -7.484 13.496 1.00 0.00 C ATOM 1177 CE2 PHE A 70 16.758 -8.470 14.267 1.00 0.00 C ATOM 1178 CZ PHE A 70 16.080 -7.610 13.407 1.00 0.00 C ATOM 0 H PHE A 70 12.995 -7.338 16.967 1.00 0.00 H new ATOM 0 HA PHE A 70 13.228 -9.907 18.474 1.00 0.00 H new ATOM 0 HB2 PHE A 70 14.397 -10.809 16.566 1.00 0.00 H new ATOM 0 HB3 PHE A 70 12.897 -10.118 15.980 1.00 0.00 H new ATOM 0 HD1 PHE A 70 12.910 -8.143 14.484 1.00 0.00 H new ATOM 0 HD2 PHE A 70 16.578 -9.877 15.877 1.00 0.00 H new ATOM 0 HE1 PHE A 70 14.173 -6.807 12.837 1.00 0.00 H new ATOM 0 HE2 PHE A 70 17.832 -8.565 14.201 1.00 0.00 H new ATOM 0 HZ PHE A 70 16.628 -7.040 12.671 1.00 0.00 H new ATOM 1188 N GLU A 71 15.641 -9.592 19.252 1.00 0.00 N ATOM 1189 CA GLU A 71 17.010 -9.303 19.779 1.00 0.00 C ATOM 1190 C GLU A 71 18.123 -9.357 18.675 1.00 0.00 C ATOM 1191 O GLU A 71 18.341 -10.398 18.045 1.00 0.00 O ATOM 1192 CB GLU A 71 17.321 -10.200 21.013 1.00 0.00 C ATOM 1193 CG GLU A 71 17.419 -11.734 20.790 1.00 0.00 C ATOM 1194 CD GLU A 71 17.806 -12.520 22.039 1.00 0.00 C ATOM 1195 OE1 GLU A 71 18.942 -12.919 22.272 1.00 0.00 O ATOM 1196 OE2 GLU A 71 16.742 -12.744 22.860 1.00 0.00 O ATOM 0 H GLU A 71 15.256 -10.486 19.556 1.00 0.00 H new ATOM 0 HA GLU A 71 17.018 -8.267 20.119 1.00 0.00 H new ATOM 0 HB2 GLU A 71 18.265 -9.863 21.442 1.00 0.00 H new ATOM 0 HB3 GLU A 71 16.549 -10.019 21.761 1.00 0.00 H new ATOM 0 HG2 GLU A 71 16.459 -12.100 20.426 1.00 0.00 H new ATOM 0 HG3 GLU A 71 18.152 -11.931 20.008 1.00 0.00 H new ATOM 1204 N GLU A 72 18.856 -8.246 18.459 1.00 0.00 N ATOM 1205 CA GLU A 72 20.033 -8.222 17.541 1.00 0.00 C ATOM 1206 C GLU A 72 21.279 -8.861 18.238 1.00 0.00 C ATOM 1207 O GLU A 72 22.150 -8.160 18.758 1.00 0.00 O ATOM 1208 CB GLU A 72 20.239 -6.754 17.057 1.00 0.00 C ATOM 1209 CG GLU A 72 21.139 -6.519 15.813 1.00 0.00 C ATOM 1210 CD GLU A 72 22.652 -6.733 15.969 1.00 0.00 C ATOM 1211 OE1 GLU A 72 23.386 -6.009 16.636 1.00 0.00 O ATOM 1212 OE2 GLU A 72 23.095 -7.808 15.255 1.00 0.00 O ATOM 0 H GLU A 72 18.661 -7.349 18.904 1.00 0.00 H new ATOM 0 HA GLU A 72 19.867 -8.833 16.654 1.00 0.00 H new ATOM 0 HB2 GLU A 72 19.257 -6.331 16.844 1.00 0.00 H new ATOM 0 HB3 GLU A 72 20.659 -6.184 17.886 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.789 -7.177 15.018 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.979 -5.496 15.473 1.00 0.00 H new ATOM 1363 N CYS A 82 20.421 -5.647 20.858 1.00 0.00 N ATOM 1364 CA CYS A 82 19.463 -4.516 20.747 1.00 0.00 C ATOM 1365 C CYS A 82 18.058 -4.955 20.237 1.00 0.00 C ATOM 1366 O CYS A 82 17.937 -5.616 19.196 1.00 0.00 O ATOM 1367 CB CYS A 82 20.106 -3.449 19.840 1.00 0.00 C ATOM 1368 SG CYS A 82 21.675 -2.860 20.564 1.00 0.00 S ATOM 0 HA CYS A 82 19.275 -4.103 21.738 1.00 0.00 H new ATOM 0 HB2 CYS A 82 20.289 -3.867 18.850 1.00 0.00 H new ATOM 0 HB3 CYS A 82 19.421 -2.611 19.711 1.00 0.00 H new ATOM 0 HG CYS A 82 22.203 -1.963 19.785 1.00 0.00 H new ATOM 1374 N MET A 83 16.983 -4.589 20.963 1.00 0.00 N ATOM 1375 CA MET A 83 15.615 -5.093 20.666 1.00 0.00 C ATOM 1376 C MET A 83 15.009 -4.321 19.452 1.00 0.00 C ATOM 1377 O MET A 83 14.685 -3.132 19.525 1.00 0.00 O ATOM 1378 CB MET A 83 14.744 -5.049 21.950 1.00 0.00 C ATOM 1379 CG MET A 83 13.744 -6.217 22.034 1.00 0.00 C ATOM 1380 SD MET A 83 14.630 -7.751 22.380 1.00 0.00 S ATOM 1381 CE MET A 83 13.295 -8.938 22.160 1.00 0.00 C ATOM 0 H MET A 83 17.028 -3.950 21.757 1.00 0.00 H new ATOM 0 HA MET A 83 15.651 -6.140 20.363 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.394 -5.070 22.825 1.00 0.00 H new ATOM 0 HB3 MET A 83 14.198 -4.106 21.981 1.00 0.00 H new ATOM 0 HG2 MET A 83 13.010 -6.025 22.817 1.00 0.00 H new ATOM 0 HG3 MET A 83 13.194 -6.306 21.097 1.00 0.00 H new ATOM 0 HE1 MET A 83 13.671 -9.946 22.338 1.00 0.00 H new ATOM 0 HE2 MET A 83 12.494 -8.720 22.866 1.00 0.00 H new ATOM 0 HE3 MET A 83 12.910 -8.868 21.143 1.00 0.00 H new ATOM 1391 N THR A 84 14.989 -4.989 18.297 1.00 0.00 N ATOM 1392 CA THR A 84 14.958 -4.324 16.974 1.00 0.00 C ATOM 1393 C THR A 84 13.580 -4.549 16.302 1.00 0.00 C ATOM 1394 O THR A 84 13.169 -5.686 16.054 1.00 0.00 O ATOM 1395 CB THR A 84 16.153 -4.823 16.113 1.00 0.00 C ATOM 1396 OG1 THR A 84 17.389 -4.552 16.776 1.00 0.00 O ATOM 1397 CG2 THR A 84 16.229 -4.118 14.748 1.00 0.00 C ATOM 0 H THR A 84 14.994 -6.008 18.243 1.00 0.00 H new ATOM 0 HA THR A 84 15.076 -3.246 17.085 1.00 0.00 H new ATOM 0 HB THR A 84 15.992 -5.891 15.969 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.508 -5.182 17.517 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.080 -4.503 14.187 1.00 0.00 H new ATOM 0 HG22 THR A 84 15.312 -4.306 14.190 1.00 0.00 H new ATOM 0 HG23 THR A 84 16.349 -3.045 14.899 1.00 0.00 H new ATOM 1405 N THR A 85 12.895 -3.448 15.978 1.00 0.00 N ATOM 1406 CA THR A 85 11.549 -3.496 15.342 1.00 0.00 C ATOM 1407 C THR A 85 11.671 -2.926 13.904 1.00 0.00 C ATOM 1408 O THR A 85 12.030 -1.756 13.728 1.00 0.00 O ATOM 1409 CB THR A 85 10.530 -2.709 16.211 1.00 0.00 C ATOM 1410 OG1 THR A 85 10.463 -3.279 17.512 1.00 0.00 O ATOM 1411 CG2 THR A 85 9.093 -2.749 15.664 1.00 0.00 C ATOM 0 H THR A 85 13.241 -2.503 16.141 1.00 0.00 H new ATOM 0 HA THR A 85 11.180 -4.520 15.275 1.00 0.00 H new ATOM 0 HB THR A 85 10.889 -1.680 16.211 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.987 -2.668 18.113 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.437 -2.179 16.322 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.072 -2.314 14.665 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.750 -3.783 15.617 1.00 0.00 H new ATOM 1419 N VAL A 86 11.344 -3.748 12.892 1.00 0.00 N ATOM 1420 CA VAL A 86 11.367 -3.320 11.463 1.00 0.00 C ATOM 1421 C VAL A 86 9.890 -3.300 10.965 1.00 0.00 C ATOM 1422 O VAL A 86 9.208 -4.328 11.006 1.00 0.00 O ATOM 1423 CB VAL A 86 12.307 -4.202 10.575 1.00 0.00 C ATOM 1424 CG1 VAL A 86 12.441 -3.604 9.158 1.00 0.00 C ATOM 1425 CG2 VAL A 86 13.743 -4.353 11.120 1.00 0.00 C ATOM 0 H VAL A 86 11.058 -4.718 13.027 1.00 0.00 H new ATOM 0 HA VAL A 86 11.799 -2.323 11.378 1.00 0.00 H new ATOM 0 HB VAL A 86 11.829 -5.181 10.572 1.00 0.00 H new ATOM 0 HG11 VAL A 86 13.099 -4.233 8.558 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.458 -3.556 8.689 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.861 -2.600 9.225 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.325 -4.979 10.443 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.209 -3.370 11.196 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.711 -4.817 12.106 1.00 0.00 H new ATOM 1435 N SER A 87 9.376 -2.135 10.535 1.00 0.00 N ATOM 1436 CA SER A 87 7.941 -1.965 10.160 1.00 0.00 C ATOM 1437 C SER A 87 7.755 -1.058 8.902 1.00 0.00 C ATOM 1438 O SER A 87 8.608 -0.231 8.557 1.00 0.00 O ATOM 1439 CB SER A 87 7.170 -1.437 11.395 1.00 0.00 C ATOM 1440 OG SER A 87 7.126 -2.433 12.417 1.00 0.00 O ATOM 0 H SER A 87 9.930 -1.284 10.434 1.00 0.00 H new ATOM 0 HA SER A 87 7.529 -2.931 9.869 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.653 -0.537 11.776 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.157 -1.157 11.107 1.00 0.00 H new ATOM 0 HG SER A 87 6.637 -2.085 13.192 1.00 0.00 H new ATOM 1446 N TRP A 88 6.615 -1.214 8.201 1.00 0.00 N ATOM 1447 CA TRP A 88 6.324 -0.441 6.961 1.00 0.00 C ATOM 1448 C TRP A 88 5.704 0.962 7.251 1.00 0.00 C ATOM 1449 O TRP A 88 4.588 1.078 7.767 1.00 0.00 O ATOM 1450 CB TRP A 88 5.375 -1.241 6.025 1.00 0.00 C ATOM 1451 CG TRP A 88 5.964 -2.474 5.332 1.00 0.00 C ATOM 1452 CD1 TRP A 88 5.435 -3.780 5.397 1.00 0.00 C ATOM 1453 CD2 TRP A 88 6.989 -2.533 4.402 1.00 0.00 C ATOM 1454 NE1 TRP A 88 6.115 -4.665 4.537 1.00 0.00 N ATOM 1455 CE2 TRP A 88 7.067 -3.867 3.924 1.00 0.00 C ATOM 1456 CE3 TRP A 88 7.811 -1.519 3.841 1.00 0.00 C ATOM 1457 CZ2 TRP A 88 7.950 -4.190 2.870 1.00 0.00 C ATOM 1458 CZ3 TRP A 88 8.689 -1.869 2.817 1.00 0.00 C ATOM 1459 CH2 TRP A 88 8.746 -3.181 2.328 1.00 0.00 C ATOM 0 H TRP A 88 5.876 -1.866 8.466 1.00 0.00 H new ATOM 0 HA TRP A 88 7.284 -0.282 6.470 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.512 -1.560 6.609 1.00 0.00 H new ATOM 0 HB3 TRP A 88 5.006 -0.563 5.255 1.00 0.00 H new ATOM 0 HD1 TRP A 88 4.608 -4.067 6.030 1.00 0.00 H new ATOM 0 HE1 TRP A 88 5.946 -5.661 4.398 1.00 0.00 H new ATOM 0 HE3 TRP A 88 7.757 -0.502 4.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 8.008 -5.200 2.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 9.337 -1.116 2.393 1.00 0.00 H new ATOM 0 HH2 TRP A 88 9.419 -3.415 1.516 1.00 0.00 H new ATOM 1470 N ASP A 89 6.405 2.025 6.830 1.00 0.00 N ATOM 1471 CA ASP A 89 5.853 3.405 6.781 1.00 0.00 C ATOM 1472 C ASP A 89 5.399 3.746 5.321 1.00 0.00 C ATOM 1473 O ASP A 89 6.085 4.469 4.590 1.00 0.00 O ATOM 1474 CB ASP A 89 6.979 4.297 7.374 1.00 0.00 C ATOM 1475 CG ASP A 89 6.709 5.795 7.493 1.00 0.00 C ATOM 1476 OD1 ASP A 89 7.533 6.652 7.193 1.00 0.00 O ATOM 1477 OD2 ASP A 89 5.473 6.073 7.995 1.00 0.00 O ATOM 0 H ASP A 89 7.372 1.962 6.512 1.00 0.00 H new ATOM 0 HA ASP A 89 4.945 3.559 7.364 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.218 3.919 8.368 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.870 4.165 6.760 1.00 0.00 H new ATOM 1483 N GLY A 90 4.248 3.187 4.884 1.00 0.00 N ATOM 1484 CA GLY A 90 3.775 3.329 3.481 1.00 0.00 C ATOM 1485 C GLY A 90 4.596 2.483 2.488 1.00 0.00 C ATOM 1486 O GLY A 90 4.478 1.257 2.479 1.00 0.00 O ATOM 0 H GLY A 90 3.629 2.635 5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.727 3.034 3.424 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.827 4.378 3.189 1.00 0.00 H new ATOM 1490 N ASP A 91 5.467 3.140 1.712 1.00 0.00 N ATOM 1491 CA ASP A 91 6.520 2.446 0.908 1.00 0.00 C ATOM 1492 C ASP A 91 7.915 2.285 1.616 1.00 0.00 C ATOM 1493 O ASP A 91 8.716 1.468 1.157 1.00 0.00 O ATOM 1494 CB ASP A 91 6.693 3.135 -0.477 1.00 0.00 C ATOM 1495 CG ASP A 91 5.438 3.365 -1.331 1.00 0.00 C ATOM 1496 OD1 ASP A 91 4.895 4.463 -1.414 1.00 0.00 O ATOM 1497 OD2 ASP A 91 5.003 2.243 -1.982 1.00 0.00 O ATOM 0 H ASP A 91 5.475 4.155 1.614 1.00 0.00 H new ATOM 0 HA ASP A 91 6.148 1.429 0.784 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.166 4.103 -0.311 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.390 2.536 -1.063 1.00 0.00 H new ATOM 1503 N LYS A 92 8.247 3.042 2.684 1.00 0.00 N ATOM 1504 CA LYS A 92 9.596 3.010 3.319 1.00 0.00 C ATOM 1505 C LYS A 92 9.674 1.967 4.479 1.00 0.00 C ATOM 1506 O LYS A 92 8.770 1.863 5.315 1.00 0.00 O ATOM 1507 CB LYS A 92 9.990 4.426 3.829 1.00 0.00 C ATOM 1508 CG LYS A 92 10.083 5.534 2.750 1.00 0.00 C ATOM 1509 CD LYS A 92 10.947 6.734 3.181 1.00 0.00 C ATOM 1510 CE LYS A 92 11.031 7.806 2.084 1.00 0.00 C ATOM 1511 NZ LYS A 92 11.973 8.871 2.476 1.00 0.00 N ATOM 0 H LYS A 92 7.599 3.689 3.132 1.00 0.00 H new ATOM 0 HA LYS A 92 10.308 2.697 2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.262 4.736 4.578 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.954 4.354 4.332 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.496 5.107 1.836 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.079 5.885 2.512 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.530 7.174 4.087 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.951 6.388 3.428 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.355 7.352 1.147 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.044 8.232 1.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.019 9.588 1.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.648 9.315 3.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.918 8.462 2.622 1.00 0.00 H new ATOM 1524 N LEU A 93 10.780 1.211 4.550 1.00 0.00 N ATOM 1525 CA LEU A 93 11.009 0.212 5.627 1.00 0.00 C ATOM 1526 C LEU A 93 11.794 0.869 6.808 1.00 0.00 C ATOM 1527 O LEU A 93 12.973 1.216 6.669 1.00 0.00 O ATOM 1528 CB LEU A 93 11.745 -0.978 4.956 1.00 0.00 C ATOM 1529 CG LEU A 93 11.907 -2.266 5.797 1.00 0.00 C ATOM 1530 CD1 LEU A 93 10.570 -3.005 5.990 1.00 0.00 C ATOM 1531 CD2 LEU A 93 12.913 -3.214 5.125 1.00 0.00 C ATOM 0 H LEU A 93 11.541 1.267 3.873 1.00 0.00 H new ATOM 0 HA LEU A 93 10.086 -0.153 6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.210 -1.235 4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.738 -0.639 4.660 1.00 0.00 H new ATOM 0 HG LEU A 93 12.272 -1.963 6.778 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.733 -3.903 6.586 1.00 0.00 H new ATOM 0 HD12 LEU A 93 9.864 -2.352 6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.165 -3.284 5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.019 -4.117 5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.554 -3.480 4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 93 13.880 -2.718 5.041 1.00 0.00 H new ATOM 1543 N GLN A 94 11.116 1.065 7.951 1.00 0.00 N ATOM 1544 CA GLN A 94 11.689 1.764 9.134 1.00 0.00 C ATOM 1545 C GLN A 94 12.192 0.752 10.203 1.00 0.00 C ATOM 1546 O GLN A 94 11.417 -0.086 10.672 1.00 0.00 O ATOM 1547 CB GLN A 94 10.609 2.684 9.769 1.00 0.00 C ATOM 1548 CG GLN A 94 10.290 3.964 8.976 1.00 0.00 C ATOM 1549 CD GLN A 94 11.421 4.995 8.933 1.00 0.00 C ATOM 1550 OE1 GLN A 94 12.573 4.808 9.316 1.00 0.00 O ATOM 1551 NE2 GLN A 94 11.136 6.115 8.357 1.00 0.00 N ATOM 0 H GLN A 94 10.157 0.748 8.090 1.00 0.00 H new ATOM 0 HA GLN A 94 12.539 2.357 8.796 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.690 2.110 9.887 1.00 0.00 H new ATOM 0 HB3 GLN A 94 10.938 2.968 10.769 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.033 3.686 7.954 1.00 0.00 H new ATOM 0 HG3 GLN A 94 9.407 4.433 9.411 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.186 6.293 8.030 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.861 6.821 8.229 1.00 0.00 H new ATOM 1560 N CYS A 95 13.461 0.867 10.618 1.00 0.00 N ATOM 1561 CA CYS A 95 14.059 0.025 11.685 1.00 0.00 C ATOM 1562 C CYS A 95 14.483 0.894 12.901 1.00 0.00 C ATOM 1563 O CYS A 95 15.204 1.885 12.739 1.00 0.00 O ATOM 1564 CB CYS A 95 15.277 -0.698 11.081 1.00 0.00 C ATOM 1565 SG CYS A 95 15.993 -1.927 12.234 1.00 0.00 S ATOM 0 H CYS A 95 14.112 1.548 10.226 1.00 0.00 H new ATOM 0 HA CYS A 95 13.330 -0.700 12.047 1.00 0.00 H new ATOM 0 HB2 CYS A 95 14.980 -1.197 10.159 1.00 0.00 H new ATOM 0 HB3 CYS A 95 16.038 0.036 10.816 1.00 0.00 H new ATOM 0 HG CYS A 95 16.949 -2.576 11.638 1.00 0.00 H new ATOM 1571 N VAL A 96 14.109 0.476 14.122 1.00 0.00 N ATOM 1572 CA VAL A 96 14.637 1.083 15.383 1.00 0.00 C ATOM 1573 C VAL A 96 15.293 -0.021 16.285 1.00 0.00 C ATOM 1574 O VAL A 96 14.646 -1.012 16.632 1.00 0.00 O ATOM 1575 CB VAL A 96 13.543 1.959 16.084 1.00 0.00 C ATOM 1576 CG1 VAL A 96 12.323 1.193 16.650 1.00 0.00 C ATOM 1577 CG2 VAL A 96 14.141 2.854 17.192 1.00 0.00 C ATOM 0 H VAL A 96 13.442 -0.281 14.276 1.00 0.00 H new ATOM 0 HA VAL A 96 15.442 1.782 15.155 1.00 0.00 H new ATOM 0 HB VAL A 96 13.161 2.570 15.266 1.00 0.00 H new ATOM 0 HG11 VAL A 96 11.632 1.899 17.111 1.00 0.00 H new ATOM 0 HG12 VAL A 96 11.817 0.666 15.841 1.00 0.00 H new ATOM 0 HG13 VAL A 96 12.659 0.474 17.397 1.00 0.00 H new ATOM 0 HG21 VAL A 96 13.348 3.444 17.651 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.613 2.229 17.950 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.885 3.522 16.758 1.00 0.00 H new ATOM 1587 N GLN A 97 16.576 0.156 16.656 1.00 0.00 N ATOM 1588 CA GLN A 97 17.359 -0.823 17.469 1.00 0.00 C ATOM 1589 C GLN A 97 17.467 -0.346 18.958 1.00 0.00 C ATOM 1590 O GLN A 97 18.188 0.612 19.260 1.00 0.00 O ATOM 1591 CB GLN A 97 18.776 -0.949 16.836 1.00 0.00 C ATOM 1592 CG GLN A 97 18.875 -1.623 15.443 1.00 0.00 C ATOM 1593 CD GLN A 97 20.255 -1.500 14.782 1.00 0.00 C ATOM 1594 OE1 GLN A 97 21.289 -1.861 15.338 1.00 0.00 O ATOM 1595 NE2 GLN A 97 20.333 -0.980 13.580 1.00 0.00 N ATOM 0 H GLN A 97 17.112 0.986 16.403 1.00 0.00 H new ATOM 0 HA GLN A 97 16.858 -1.791 17.470 1.00 0.00 H new ATOM 0 HB2 GLN A 97 19.201 0.052 16.757 1.00 0.00 H new ATOM 0 HB3 GLN A 97 19.406 -1.509 17.527 1.00 0.00 H new ATOM 0 HG2 GLN A 97 18.626 -2.679 15.544 1.00 0.00 H new ATOM 0 HG3 GLN A 97 18.128 -1.181 14.784 1.00 0.00 H new ATOM 0 HE21 GLN A 97 19.486 -0.674 13.101 1.00 0.00 H new ATOM 0 HE22 GLN A 97 21.240 -0.882 13.125 1.00 0.00 H new ATOM 1604 N LYS A 98 16.764 -1.008 19.894 1.00 0.00 N ATOM 1605 CA LYS A 98 16.612 -0.504 21.292 1.00 0.00 C ATOM 1606 C LYS A 98 17.622 -1.122 22.307 1.00 0.00 C ATOM 1607 O LYS A 98 17.678 -2.343 22.481 1.00 0.00 O ATOM 1608 CB LYS A 98 15.168 -0.827 21.763 1.00 0.00 C ATOM 1609 CG LYS A 98 14.019 -0.117 21.014 1.00 0.00 C ATOM 1610 CD LYS A 98 13.879 1.355 21.432 1.00 0.00 C ATOM 1611 CE LYS A 98 12.652 2.034 20.808 1.00 0.00 C ATOM 1612 NZ LYS A 98 12.560 3.428 21.284 1.00 0.00 N ATOM 0 H LYS A 98 16.289 -1.893 19.719 1.00 0.00 H new ATOM 0 HA LYS A 98 16.817 0.566 21.271 1.00 0.00 H new ATOM 0 HB2 LYS A 98 15.015 -1.903 21.679 1.00 0.00 H new ATOM 0 HB3 LYS A 98 15.091 -0.576 22.821 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.198 -0.173 19.940 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.082 -0.639 21.209 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.809 1.415 22.518 1.00 0.00 H new ATOM 0 HD3 LYS A 98 14.778 1.898 21.140 1.00 0.00 H new ATOM 0 HE2 LYS A 98 12.727 2.015 19.721 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.747 1.488 21.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.728 3.886 20.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.469 3.436 22.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 13.418 3.946 21.008 1.00 0.00 H new ATOM 1625 N GLY A 99 18.350 -0.276 23.050 1.00 0.00 N ATOM 1626 CA GLY A 99 19.127 -0.741 24.231 1.00 0.00 C ATOM 1627 C GLY A 99 20.127 0.294 24.775 1.00 0.00 C ATOM 1628 O GLY A 99 19.726 1.300 25.362 1.00 0.00 O ATOM 0 H GLY A 99 18.423 0.724 22.865 1.00 0.00 H new ATOM 0 HA2 GLY A 99 18.432 -1.011 25.026 1.00 0.00 H new ATOM 0 HA3 GLY A 99 19.670 -1.647 23.961 1.00 0.00 H new ATOM 1632 N GLU A 100 21.430 0.024 24.604 1.00 0.00 N ATOM 1633 CA GLU A 100 22.519 0.895 25.145 1.00 0.00 C ATOM 1634 C GLU A 100 22.766 2.233 24.367 1.00 0.00 C ATOM 1635 O GLU A 100 22.969 3.274 24.997 1.00 0.00 O ATOM 1636 CB GLU A 100 23.792 0.003 25.241 1.00 0.00 C ATOM 1637 CG GLU A 100 24.978 0.556 26.076 1.00 0.00 C ATOM 1638 CD GLU A 100 24.784 0.460 27.591 1.00 0.00 C ATOM 1639 OE1 GLU A 100 24.150 1.286 28.241 1.00 0.00 O ATOM 1640 OE2 GLU A 100 25.385 -0.647 28.127 1.00 0.00 O ATOM 0 H GLU A 100 21.770 -0.792 24.095 1.00 0.00 H new ATOM 0 HA GLU A 100 22.215 1.266 26.124 1.00 0.00 H new ATOM 0 HB2 GLU A 100 23.501 -0.959 25.662 1.00 0.00 H new ATOM 0 HB3 GLU A 100 24.150 -0.187 24.229 1.00 0.00 H new ATOM 0 HG2 GLU A 100 25.883 0.013 25.803 1.00 0.00 H new ATOM 0 HG3 GLU A 100 25.139 1.600 25.808 1.00 0.00 H new ATOM 1648 N LYS A 101 22.774 2.212 23.021 1.00 0.00 N ATOM 1649 CA LYS A 101 22.979 3.429 22.191 1.00 0.00 C ATOM 1650 C LYS A 101 21.664 4.235 21.970 1.00 0.00 C ATOM 1651 O LYS A 101 20.604 3.683 21.652 1.00 0.00 O ATOM 1652 CB LYS A 101 23.568 3.018 20.814 1.00 0.00 C ATOM 1653 CG LYS A 101 25.039 2.554 20.817 1.00 0.00 C ATOM 1654 CD LYS A 101 26.065 3.699 20.945 1.00 0.00 C ATOM 1655 CE LYS A 101 27.523 3.223 21.044 1.00 0.00 C ATOM 1656 NZ LYS A 101 27.856 2.724 22.393 1.00 0.00 N ATOM 0 H LYS A 101 22.640 1.361 22.475 1.00 0.00 H new ATOM 0 HA LYS A 101 23.670 4.077 22.730 1.00 0.00 H new ATOM 0 HB2 LYS A 101 22.956 2.215 20.405 1.00 0.00 H new ATOM 0 HB3 LYS A 101 23.477 3.866 20.135 1.00 0.00 H new ATOM 0 HG2 LYS A 101 25.186 1.856 21.641 1.00 0.00 H new ATOM 0 HG3 LYS A 101 25.237 2.006 19.896 1.00 0.00 H new ATOM 0 HD2 LYS A 101 25.967 4.359 20.083 1.00 0.00 H new ATOM 0 HD3 LYS A 101 25.826 4.291 21.829 1.00 0.00 H new ATOM 0 HE2 LYS A 101 27.696 2.433 20.313 1.00 0.00 H new ATOM 0 HE3 LYS A 101 28.190 4.046 20.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 28.888 2.734 22.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 27.412 3.334 23.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 27.503 1.752 22.500 1.00 0.00 H new ATOM 1669 N GLU A 102 21.779 5.568 22.054 1.00 0.00 N ATOM 1670 CA GLU A 102 20.694 6.497 21.628 1.00 0.00 C ATOM 1671 C GLU A 102 20.651 6.679 20.073 1.00 0.00 C ATOM 1672 O GLU A 102 21.678 6.574 19.397 1.00 0.00 O ATOM 1673 CB GLU A 102 20.810 7.811 22.451 1.00 0.00 C ATOM 1674 CG GLU A 102 22.040 8.734 22.221 1.00 0.00 C ATOM 1675 CD GLU A 102 21.911 9.821 21.149 1.00 0.00 C ATOM 1676 OE1 GLU A 102 20.935 9.983 20.423 1.00 0.00 O ATOM 1677 OE2 GLU A 102 23.037 10.584 21.069 1.00 0.00 O ATOM 0 H GLU A 102 22.610 6.039 22.412 1.00 0.00 H new ATOM 0 HA GLU A 102 19.716 6.071 21.852 1.00 0.00 H new ATOM 0 HB2 GLU A 102 19.914 8.401 22.258 1.00 0.00 H new ATOM 0 HB3 GLU A 102 20.793 7.541 23.507 1.00 0.00 H new ATOM 0 HG2 GLU A 102 22.279 9.220 23.167 1.00 0.00 H new ATOM 0 HG3 GLU A 102 22.891 8.104 21.962 1.00 0.00 H new ATOM 1685 N GLY A 103 19.459 6.899 19.489 1.00 0.00 N ATOM 1686 CA GLY A 103 19.313 7.120 18.015 1.00 0.00 C ATOM 1687 C GLY A 103 19.741 6.024 16.998 1.00 0.00 C ATOM 1688 O GLY A 103 20.021 6.359 15.846 1.00 0.00 O ATOM 0 H GLY A 103 18.578 6.931 20.002 1.00 0.00 H new ATOM 0 HA2 GLY A 103 18.262 7.338 17.827 1.00 0.00 H new ATOM 0 HA3 GLY A 103 19.875 8.021 17.769 1.00 0.00 H new ATOM 1692 N ARG A 104 19.784 4.747 17.405 1.00 0.00 N ATOM 1693 CA ARG A 104 20.266 3.624 16.559 1.00 0.00 C ATOM 1694 C ARG A 104 19.118 3.022 15.684 1.00 0.00 C ATOM 1695 O ARG A 104 18.120 2.508 16.200 1.00 0.00 O ATOM 1696 CB ARG A 104 20.938 2.611 17.526 1.00 0.00 C ATOM 1697 CG ARG A 104 21.783 1.503 16.850 1.00 0.00 C ATOM 1698 CD ARG A 104 22.470 0.608 17.897 1.00 0.00 C ATOM 1699 NE ARG A 104 23.017 -0.632 17.289 1.00 0.00 N ATOM 1700 CZ ARG A 104 24.023 -1.350 17.793 1.00 0.00 C ATOM 1701 NH1 ARG A 104 24.726 -1.010 18.854 1.00 0.00 N ATOM 1702 NH2 ARG A 104 24.334 -2.468 17.201 1.00 0.00 N ATOM 0 H ARG A 104 19.485 4.453 18.335 1.00 0.00 H new ATOM 0 HA ARG A 104 20.997 3.953 15.820 1.00 0.00 H new ATOM 0 HB2 ARG A 104 21.578 3.163 18.214 1.00 0.00 H new ATOM 0 HB3 ARG A 104 20.161 2.136 18.125 1.00 0.00 H new ATOM 0 HG2 ARG A 104 21.144 0.894 16.211 1.00 0.00 H new ATOM 0 HG3 ARG A 104 22.536 1.958 16.207 1.00 0.00 H new ATOM 0 HD2 ARG A 104 23.276 1.163 18.377 1.00 0.00 H new ATOM 0 HD3 ARG A 104 21.755 0.346 18.677 1.00 0.00 H new ATOM 0 HE ARG A 104 22.592 -0.959 16.421 1.00 0.00 H new ATOM 0 HH11 ARG A 104 24.514 -0.144 19.350 1.00 0.00 H new ATOM 0 HH12 ARG A 104 25.482 -1.613 19.180 1.00 0.00 H new ATOM 0 HH21 ARG A 104 23.814 -2.771 16.378 1.00 0.00 H new ATOM 0 HH22 ARG A 104 25.098 -3.040 17.561 1.00 0.00 H new ATOM 1716 N GLY A 105 19.260 3.091 14.353 1.00 0.00 N ATOM 1717 CA GLY A 105 18.200 2.635 13.416 1.00 0.00 C ATOM 1718 C GLY A 105 18.559 2.754 11.921 1.00 0.00 C ATOM 1719 O GLY A 105 19.695 3.060 11.547 1.00 0.00 O ATOM 0 H GLY A 105 20.094 3.456 13.893 1.00 0.00 H new ATOM 0 HA2 GLY A 105 17.964 1.594 13.636 1.00 0.00 H new ATOM 0 HA3 GLY A 105 17.296 3.213 13.605 1.00 0.00 H new ATOM 1723 N TRP A 106 17.572 2.506 11.049 1.00 0.00 N ATOM 1724 CA TRP A 106 17.722 2.741 9.580 1.00 0.00 C ATOM 1725 C TRP A 106 16.372 2.934 8.815 1.00 0.00 C ATOM 1726 O TRP A 106 15.337 2.370 9.175 1.00 0.00 O ATOM 1727 CB TRP A 106 18.682 1.725 8.878 1.00 0.00 C ATOM 1728 CG TRP A 106 18.413 0.219 8.980 1.00 0.00 C ATOM 1729 CD1 TRP A 106 19.131 -0.669 9.809 1.00 0.00 C ATOM 1730 CD2 TRP A 106 17.486 -0.561 8.315 1.00 0.00 C ATOM 1731 NE1 TRP A 106 18.670 -1.992 9.682 1.00 0.00 N ATOM 1732 CE2 TRP A 106 17.643 -1.900 8.758 1.00 0.00 C ATOM 1733 CE3 TRP A 106 16.448 -0.221 7.413 1.00 0.00 C ATOM 1734 CZ2 TRP A 106 16.748 -2.903 8.320 1.00 0.00 C ATOM 1735 CZ3 TRP A 106 15.557 -1.218 7.020 1.00 0.00 C ATOM 1736 CH2 TRP A 106 15.710 -2.541 7.458 1.00 0.00 C ATOM 0 H TRP A 106 16.658 2.143 11.320 1.00 0.00 H new ATOM 0 HA TRP A 106 18.218 3.710 9.517 1.00 0.00 H new ATOM 0 HB2 TRP A 106 18.704 1.979 7.818 1.00 0.00 H new ATOM 0 HB3 TRP A 106 19.684 1.902 9.269 1.00 0.00 H new ATOM 0 HD1 TRP A 106 19.937 -0.369 10.462 1.00 0.00 H new ATOM 0 HE1 TRP A 106 19.013 -2.825 10.160 1.00 0.00 H new ATOM 0 HE3 TRP A 106 16.349 0.787 7.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 16.864 -3.926 8.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 14.734 -0.967 6.367 1.00 0.00 H new ATOM 0 HH2 TRP A 106 15.012 -3.294 7.123 1.00 0.00 H new ATOM 1747 N THR A 107 16.409 3.705 7.711 1.00 0.00 N ATOM 1748 CA THR A 107 15.250 3.879 6.785 1.00 0.00 C ATOM 1749 C THR A 107 15.659 3.397 5.352 1.00 0.00 C ATOM 1750 O THR A 107 16.583 3.956 4.750 1.00 0.00 O ATOM 1751 CB THR A 107 14.791 5.371 6.775 1.00 0.00 C ATOM 1752 OG1 THR A 107 14.548 5.869 8.090 1.00 0.00 O ATOM 1753 CG2 THR A 107 13.503 5.601 5.971 1.00 0.00 C ATOM 0 H THR A 107 17.237 4.228 7.428 1.00 0.00 H new ATOM 0 HA THR A 107 14.408 3.277 7.126 1.00 0.00 H new ATOM 0 HB THR A 107 15.620 5.901 6.306 1.00 0.00 H new ATOM 0 HG1 THR A 107 14.052 5.200 8.607 1.00 0.00 H new ATOM 0 HG21 THR A 107 13.238 6.658 6.003 1.00 0.00 H new ATOM 0 HG22 THR A 107 13.661 5.298 4.936 1.00 0.00 H new ATOM 0 HG23 THR A 107 12.695 5.011 6.402 1.00 0.00 H new ATOM 1761 N GLN A 108 14.958 2.389 4.797 1.00 0.00 N ATOM 1762 CA GLN A 108 15.289 1.794 3.466 1.00 0.00 C ATOM 1763 C GLN A 108 14.117 1.937 2.438 1.00 0.00 C ATOM 1764 O GLN A 108 12.954 1.657 2.750 1.00 0.00 O ATOM 1765 CB GLN A 108 15.669 0.311 3.714 1.00 0.00 C ATOM 1766 CG GLN A 108 16.317 -0.432 2.521 1.00 0.00 C ATOM 1767 CD GLN A 108 16.629 -1.904 2.811 1.00 0.00 C ATOM 1768 OE1 GLN A 108 17.708 -2.268 3.263 1.00 0.00 O ATOM 1769 NE2 GLN A 108 15.709 -2.802 2.551 1.00 0.00 N ATOM 0 H GLN A 108 14.150 1.959 5.247 1.00 0.00 H new ATOM 0 HA GLN A 108 16.123 2.331 3.013 1.00 0.00 H new ATOM 0 HB2 GLN A 108 16.356 0.269 4.559 1.00 0.00 H new ATOM 0 HB3 GLN A 108 14.769 -0.230 4.008 1.00 0.00 H new ATOM 0 HG2 GLN A 108 15.649 -0.373 1.661 1.00 0.00 H new ATOM 0 HG3 GLN A 108 17.239 0.078 2.244 1.00 0.00 H new ATOM 0 HE21 GLN A 108 14.806 -2.513 2.174 1.00 0.00 H new ATOM 0 HE22 GLN A 108 15.896 -3.789 2.725 1.00 0.00 H new ATOM 1778 N TRP A 109 14.434 2.339 1.192 1.00 0.00 N ATOM 1779 CA TRP A 109 13.438 2.477 0.083 1.00 0.00 C ATOM 1780 C TRP A 109 14.085 2.276 -1.337 1.00 0.00 C ATOM 1781 O TRP A 109 15.311 2.242 -1.474 1.00 0.00 O ATOM 1782 CB TRP A 109 12.648 3.811 0.253 1.00 0.00 C ATOM 1783 CG TRP A 109 13.374 5.120 -0.088 1.00 0.00 C ATOM 1784 CD1 TRP A 109 13.337 5.752 -1.348 1.00 0.00 C ATOM 1785 CD2 TRP A 109 14.164 5.930 0.712 1.00 0.00 C ATOM 1786 NE1 TRP A 109 14.077 6.947 -1.353 1.00 0.00 N ATOM 1787 CE2 TRP A 109 14.569 7.041 -0.068 1.00 0.00 C ATOM 1788 CE3 TRP A 109 14.599 5.805 2.058 1.00 0.00 C ATOM 1789 CZ2 TRP A 109 15.401 8.036 0.485 1.00 0.00 C ATOM 1790 CZ3 TRP A 109 15.419 6.803 2.587 1.00 0.00 C ATOM 1791 CH2 TRP A 109 15.809 7.904 1.812 1.00 0.00 C ATOM 0 H TRP A 109 15.385 2.580 0.914 1.00 0.00 H new ATOM 0 HA TRP A 109 12.711 1.667 0.150 1.00 0.00 H new ATOM 0 HB2 TRP A 109 11.754 3.752 -0.367 1.00 0.00 H new ATOM 0 HB3 TRP A 109 12.314 3.873 1.289 1.00 0.00 H new ATOM 0 HD1 TRP A 109 12.805 5.365 -2.205 1.00 0.00 H new ATOM 0 HE1 TRP A 109 14.218 7.595 -2.128 1.00 0.00 H new ATOM 0 HE3 TRP A 109 14.302 4.958 2.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 15.716 8.883 -0.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 15.758 6.726 3.609 1.00 0.00 H new ATOM 0 HH2 TRP A 109 16.438 8.665 2.251 1.00 0.00 H new ATOM 1802 N ILE A 110 13.270 2.149 -2.408 1.00 0.00 N ATOM 1803 CA ILE A 110 13.782 2.114 -3.820 1.00 0.00 C ATOM 1804 C ILE A 110 13.300 3.388 -4.601 1.00 0.00 C ATOM 1805 O ILE A 110 12.114 3.733 -4.615 1.00 0.00 O ATOM 1806 CB ILE A 110 13.459 0.746 -4.534 1.00 0.00 C ATOM 1807 CG1 ILE A 110 14.296 -0.424 -3.938 1.00 0.00 C ATOM 1808 CG2 ILE A 110 13.695 0.755 -6.073 1.00 0.00 C ATOM 1809 CD1 ILE A 110 13.755 -1.832 -4.235 1.00 0.00 C ATOM 0 H ILE A 110 12.256 2.068 -2.335 1.00 0.00 H new ATOM 0 HA ILE A 110 14.871 2.156 -3.807 1.00 0.00 H new ATOM 0 HB ILE A 110 12.394 0.601 -4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 110 15.314 -0.354 -4.322 1.00 0.00 H new ATOM 0 HG13 ILE A 110 14.354 -0.295 -2.857 1.00 0.00 H new ATOM 0 HG21 ILE A 110 13.449 -0.224 -6.485 1.00 0.00 H new ATOM 0 HG22 ILE A 110 13.061 1.512 -6.534 1.00 0.00 H new ATOM 0 HG23 ILE A 110 14.741 0.983 -6.279 1.00 0.00 H new ATOM 0 HD11 ILE A 110 14.407 -2.576 -3.778 1.00 0.00 H new ATOM 0 HD12 ILE A 110 12.750 -1.929 -3.825 1.00 0.00 H new ATOM 0 HD13 ILE A 110 13.724 -1.990 -5.313 1.00 0.00 H new ATOM 1821 N GLU A 111 14.240 4.024 -5.321 1.00 0.00 N ATOM 1822 CA GLU A 111 13.935 5.024 -6.383 1.00 0.00 C ATOM 1823 C GLU A 111 14.230 4.395 -7.787 1.00 0.00 C ATOM 1824 O GLU A 111 15.349 4.476 -8.306 1.00 0.00 O ATOM 1825 CB GLU A 111 14.772 6.310 -6.122 1.00 0.00 C ATOM 1826 CG GLU A 111 14.197 7.254 -5.038 1.00 0.00 C ATOM 1827 CD GLU A 111 15.149 8.352 -4.559 1.00 0.00 C ATOM 1828 OE1 GLU A 111 15.463 8.502 -3.382 1.00 0.00 O ATOM 1829 OE2 GLU A 111 15.587 9.146 -5.580 1.00 0.00 O ATOM 0 H GLU A 111 15.239 3.865 -5.190 1.00 0.00 H new ATOM 0 HA GLU A 111 12.881 5.303 -6.365 1.00 0.00 H new ATOM 0 HB2 GLU A 111 15.780 6.016 -5.830 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.860 6.864 -7.056 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.294 7.723 -5.429 1.00 0.00 H new ATOM 0 HG3 GLU A 111 13.898 6.654 -4.178 1.00 0.00 H new ATOM 1837 N GLY A 112 13.215 3.751 -8.397 1.00 0.00 N ATOM 1838 CA GLY A 112 13.346 3.118 -9.741 1.00 0.00 C ATOM 1839 C GLY A 112 14.228 1.849 -9.793 1.00 0.00 C ATOM 1840 O GLY A 112 13.806 0.779 -9.351 1.00 0.00 O ATOM 0 H GLY A 112 12.288 3.651 -7.984 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.350 2.863 -10.102 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.757 3.854 -10.432 1.00 0.00 H new ATOM 1844 N ASP A 113 15.455 1.988 -10.316 1.00 0.00 N ATOM 1845 CA ASP A 113 16.516 0.939 -10.188 1.00 0.00 C ATOM 1846 C ASP A 113 17.547 1.102 -9.012 1.00 0.00 C ATOM 1847 O ASP A 113 18.490 0.307 -8.941 1.00 0.00 O ATOM 1848 CB ASP A 113 17.212 0.771 -11.570 1.00 0.00 C ATOM 1849 CG ASP A 113 18.061 1.925 -12.123 1.00 0.00 C ATOM 1850 OD1 ASP A 113 18.299 2.972 -11.527 1.00 0.00 O ATOM 1851 OD2 ASP A 113 18.531 1.649 -13.369 1.00 0.00 O ATOM 0 H ASP A 113 15.752 2.814 -10.836 1.00 0.00 H new ATOM 0 HA ASP A 113 15.999 0.026 -9.892 1.00 0.00 H new ATOM 0 HB2 ASP A 113 17.852 -0.109 -11.511 1.00 0.00 H new ATOM 0 HB3 ASP A 113 16.437 0.552 -12.304 1.00 0.00 H new ATOM 1857 N GLU A 114 17.397 2.091 -8.107 1.00 0.00 N ATOM 1858 CA GLU A 114 18.372 2.358 -7.016 1.00 0.00 C ATOM 1859 C GLU A 114 17.759 2.119 -5.604 1.00 0.00 C ATOM 1860 O GLU A 114 16.663 2.588 -5.296 1.00 0.00 O ATOM 1861 CB GLU A 114 18.949 3.794 -7.145 1.00 0.00 C ATOM 1862 CG GLU A 114 19.930 3.985 -8.330 1.00 0.00 C ATOM 1863 CD GLU A 114 20.590 5.360 -8.426 1.00 0.00 C ATOM 1864 OE1 GLU A 114 20.641 6.175 -7.507 1.00 0.00 O ATOM 1865 OE2 GLU A 114 21.140 5.563 -9.660 1.00 0.00 O ATOM 0 H GLU A 114 16.601 2.728 -8.107 1.00 0.00 H new ATOM 0 HA GLU A 114 19.189 1.645 -7.124 1.00 0.00 H new ATOM 0 HB2 GLU A 114 18.123 4.496 -7.256 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.463 4.051 -6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 114 20.713 3.230 -8.255 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.391 3.795 -9.258 1.00 0.00 H new ATOM 1873 N LEU A 115 18.507 1.417 -4.741 1.00 0.00 N ATOM 1874 CA LEU A 115 18.155 1.215 -3.309 1.00 0.00 C ATOM 1875 C LEU A 115 18.809 2.344 -2.451 1.00 0.00 C ATOM 1876 O LEU A 115 20.031 2.522 -2.440 1.00 0.00 O ATOM 1877 CB LEU A 115 18.598 -0.228 -2.937 1.00 0.00 C ATOM 1878 CG LEU A 115 18.574 -0.653 -1.445 1.00 0.00 C ATOM 1879 CD1 LEU A 115 17.156 -1.058 -1.025 1.00 0.00 C ATOM 1880 CD2 LEU A 115 19.536 -1.827 -1.196 1.00 0.00 C ATOM 0 H LEU A 115 19.382 0.966 -5.009 1.00 0.00 H new ATOM 0 HA LEU A 115 17.086 1.294 -3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 115 17.963 -0.921 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 115 19.615 -0.367 -3.304 1.00 0.00 H new ATOM 0 HG LEU A 115 18.896 0.201 -0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 115 17.158 -1.353 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 115 16.480 -0.214 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 115 16.820 -1.895 -1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 115 19.502 -2.108 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 115 19.238 -2.678 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 115 20.551 -1.528 -1.460 1.00 0.00 H new ATOM 1892 N HIS A 116 17.969 3.096 -1.731 1.00 0.00 N ATOM 1893 CA HIS A 116 18.400 4.257 -0.912 1.00 0.00 C ATOM 1894 C HIS A 116 18.212 3.910 0.596 1.00 0.00 C ATOM 1895 O HIS A 116 17.103 3.624 1.064 1.00 0.00 O ATOM 1896 CB HIS A 116 17.587 5.509 -1.336 1.00 0.00 C ATOM 1897 CG HIS A 116 18.049 6.188 -2.630 1.00 0.00 C ATOM 1898 ND1 HIS A 116 17.914 5.641 -3.902 1.00 0.00 N ATOM 1899 CD2 HIS A 116 18.664 7.450 -2.700 1.00 0.00 C ATOM 1900 CE1 HIS A 116 18.492 6.644 -4.636 1.00 0.00 C ATOM 1901 NE2 HIS A 116 18.969 7.764 -4.011 1.00 0.00 N ATOM 0 H HIS A 116 16.964 2.923 -1.693 1.00 0.00 H new ATOM 0 HA HIS A 116 19.455 4.480 -1.073 1.00 0.00 H new ATOM 0 HB2 HIS A 116 16.542 5.221 -1.451 1.00 0.00 H new ATOM 0 HB3 HIS A 116 17.629 6.239 -0.528 1.00 0.00 H new ATOM 0 HD2 HIS A 116 18.869 8.084 -1.850 1.00 0.00 H new ATOM 0 HE1 HIS A 116 18.571 6.550 -5.709 1.00 0.00 H new ATOM 0 HE2 HIS A 116 19.420 8.592 -4.400 1.00 0.00 H new ATOM 1909 N LEU A 117 19.325 3.929 1.341 1.00 0.00 N ATOM 1910 CA LEU A 117 19.374 3.517 2.767 1.00 0.00 C ATOM 1911 C LEU A 117 19.969 4.677 3.628 1.00 0.00 C ATOM 1912 O LEU A 117 21.118 5.090 3.429 1.00 0.00 O ATOM 1913 CB LEU A 117 20.220 2.215 2.833 1.00 0.00 C ATOM 1914 CG LEU A 117 20.442 1.609 4.243 1.00 0.00 C ATOM 1915 CD1 LEU A 117 19.173 0.986 4.844 1.00 0.00 C ATOM 1916 CD2 LEU A 117 21.558 0.559 4.195 1.00 0.00 C ATOM 0 H LEU A 117 20.228 4.232 0.977 1.00 0.00 H new ATOM 0 HA LEU A 117 18.383 3.315 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 117 19.738 1.462 2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 117 21.195 2.418 2.391 1.00 0.00 H new ATOM 0 HG LEU A 117 20.727 2.436 4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 117 19.399 0.581 5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 117 18.400 1.749 4.933 1.00 0.00 H new ATOM 0 HD13 LEU A 117 18.819 0.185 4.195 1.00 0.00 H new ATOM 0 HD21 LEU A 117 21.706 0.140 5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 117 21.280 -0.236 3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 117 22.483 1.026 3.857 1.00 0.00 H new ATOM 1928 N GLU A 118 19.207 5.159 4.622 1.00 0.00 N ATOM 1929 CA GLU A 118 19.710 6.147 5.620 1.00 0.00 C ATOM 1930 C GLU A 118 19.882 5.445 7.000 1.00 0.00 C ATOM 1931 O GLU A 118 18.892 5.179 7.688 1.00 0.00 O ATOM 1932 CB GLU A 118 18.744 7.359 5.717 1.00 0.00 C ATOM 1933 CG GLU A 118 18.632 8.231 4.446 1.00 0.00 C ATOM 1934 CD GLU A 118 17.799 9.496 4.636 1.00 0.00 C ATOM 1935 OE1 GLU A 118 18.264 10.631 4.605 1.00 0.00 O ATOM 1936 OE2 GLU A 118 16.476 9.226 4.826 1.00 0.00 O ATOM 0 H GLU A 118 18.235 4.886 4.766 1.00 0.00 H new ATOM 0 HA GLU A 118 20.680 6.527 5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 118 17.750 6.989 5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 118 19.068 7.993 6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 118 19.634 8.513 4.121 1.00 0.00 H new ATOM 0 HG3 GLU A 118 18.193 7.635 3.646 1.00 0.00 H new ATOM 1944 N MET A 119 21.128 5.136 7.402 1.00 0.00 N ATOM 1945 CA MET A 119 21.412 4.419 8.680 1.00 0.00 C ATOM 1946 C MET A 119 21.828 5.415 9.803 1.00 0.00 C ATOM 1947 O MET A 119 22.775 6.185 9.631 1.00 0.00 O ATOM 1948 CB MET A 119 22.493 3.323 8.495 1.00 0.00 C ATOM 1949 CG MET A 119 22.238 2.245 7.426 1.00 0.00 C ATOM 1950 SD MET A 119 23.386 0.867 7.613 1.00 0.00 S ATOM 1951 CE MET A 119 24.882 1.591 6.924 1.00 0.00 C ATOM 0 H MET A 119 21.964 5.368 6.865 1.00 0.00 H new ATOM 0 HA MET A 119 20.488 3.926 8.984 1.00 0.00 H new ATOM 0 HB2 MET A 119 23.435 3.817 8.256 1.00 0.00 H new ATOM 0 HB3 MET A 119 22.630 2.821 9.453 1.00 0.00 H new ATOM 0 HG2 MET A 119 21.213 1.883 7.507 1.00 0.00 H new ATOM 0 HG3 MET A 119 22.345 2.680 6.432 1.00 0.00 H new ATOM 0 HE1 MET A 119 25.600 0.801 6.702 1.00 0.00 H new ATOM 0 HE2 MET A 119 24.638 2.128 6.007 1.00 0.00 H new ATOM 0 HE3 MET A 119 25.316 2.284 7.645 1.00 0.00 H new ATOM 1961 N ARG A 120 21.137 5.392 10.953 1.00 0.00 N ATOM 1962 CA ARG A 120 21.361 6.358 12.065 1.00 0.00 C ATOM 1963 C ARG A 120 22.072 5.698 13.288 1.00 0.00 C ATOM 1964 O ARG A 120 21.749 4.566 13.669 1.00 0.00 O ATOM 1965 CB ARG A 120 20.003 6.940 12.549 1.00 0.00 C ATOM 1966 CG ARG A 120 19.073 7.622 11.506 1.00 0.00 C ATOM 1967 CD ARG A 120 17.832 6.795 11.101 1.00 0.00 C ATOM 1968 NE ARG A 120 16.935 6.549 12.265 1.00 0.00 N ATOM 1969 CZ ARG A 120 15.836 5.801 12.247 1.00 0.00 C ATOM 1970 NH1 ARG A 120 15.308 5.284 11.162 1.00 0.00 N ATOM 1971 NH2 ARG A 120 15.240 5.571 13.384 1.00 0.00 N ATOM 0 H ARG A 120 20.406 4.708 11.148 1.00 0.00 H new ATOM 0 HA ARG A 120 22.003 7.146 11.671 1.00 0.00 H new ATOM 0 HB2 ARG A 120 19.442 6.129 13.013 1.00 0.00 H new ATOM 0 HB3 ARG A 120 20.215 7.669 13.331 1.00 0.00 H new ATOM 0 HG2 ARG A 120 18.739 8.578 11.909 1.00 0.00 H new ATOM 0 HG3 ARG A 120 19.654 7.840 10.610 1.00 0.00 H new ATOM 0 HD2 ARG A 120 17.282 7.321 10.321 1.00 0.00 H new ATOM 0 HD3 ARG A 120 18.151 5.842 10.678 1.00 0.00 H new ATOM 0 HE ARG A 120 17.185 6.991 13.149 1.00 0.00 H new ATOM 0 HH11 ARG A 120 15.745 5.447 10.255 1.00 0.00 H new ATOM 0 HH12 ARG A 120 14.461 4.719 11.226 1.00 0.00 H new ATOM 0 HH21 ARG A 120 15.620 5.961 14.247 1.00 0.00 H new ATOM 0 HH22 ARG A 120 14.394 5.002 13.410 1.00 0.00 H new ATOM 1985 N ALA A 121 22.980 6.436 13.950 1.00 0.00 N ATOM 1986 CA ALA A 121 23.476 6.076 15.304 1.00 0.00 C ATOM 1987 C ALA A 121 23.935 7.339 16.078 1.00 0.00 C ATOM 1988 O ALA A 121 24.770 8.118 15.609 1.00 0.00 O ATOM 1989 CB ALA A 121 24.612 5.049 15.233 1.00 0.00 C ATOM 0 H ALA A 121 23.391 7.290 13.573 1.00 0.00 H new ATOM 0 HA ALA A 121 22.647 5.620 15.844 1.00 0.00 H new ATOM 0 HB1 ALA A 121 24.950 4.810 16.241 1.00 0.00 H new ATOM 0 HB2 ALA A 121 24.253 4.142 14.746 1.00 0.00 H new ATOM 0 HB3 ALA A 121 25.442 5.464 14.661 1.00 0.00 H new ATOM 1995 N GLU A 122 23.369 7.546 17.275 1.00 0.00 N ATOM 1996 CA GLU A 122 23.655 8.729 18.146 1.00 0.00 C ATOM 1997 C GLU A 122 23.320 10.145 17.546 1.00 0.00 C ATOM 1998 O GLU A 122 23.982 11.139 17.854 1.00 0.00 O ATOM 1999 CB GLU A 122 25.051 8.617 18.835 1.00 0.00 C ATOM 2000 CG GLU A 122 25.336 7.275 19.566 1.00 0.00 C ATOM 2001 CD GLU A 122 26.388 7.368 20.669 1.00 0.00 C ATOM 2002 OE1 GLU A 122 26.171 7.913 21.748 1.00 0.00 O ATOM 2003 OE2 GLU A 122 27.571 6.769 20.333 1.00 0.00 O ATOM 0 H GLU A 122 22.692 6.901 17.683 1.00 0.00 H new ATOM 0 HA GLU A 122 22.909 8.672 18.939 1.00 0.00 H new ATOM 0 HB2 GLU A 122 25.822 8.769 18.079 1.00 0.00 H new ATOM 0 HB3 GLU A 122 25.146 9.429 19.555 1.00 0.00 H new ATOM 0 HG2 GLU A 122 24.406 6.906 19.998 1.00 0.00 H new ATOM 0 HG3 GLU A 122 25.661 6.538 18.832 1.00 0.00 H new ATOM 2011 N GLY A 123 22.283 10.231 16.689 1.00 0.00 N ATOM 2012 CA GLY A 123 22.087 11.394 15.777 1.00 0.00 C ATOM 2013 C GLY A 123 22.854 11.435 14.427 1.00 0.00 C ATOM 2014 O GLY A 123 22.484 12.231 13.563 1.00 0.00 O ATOM 0 H GLY A 123 21.564 9.513 16.604 1.00 0.00 H new ATOM 0 HA2 GLY A 123 21.022 11.459 15.552 1.00 0.00 H new ATOM 0 HA3 GLY A 123 22.351 12.294 16.332 1.00 0.00 H new ATOM 2018 N VAL A 124 23.896 10.612 14.220 1.00 0.00 N ATOM 2019 CA VAL A 124 24.727 10.631 12.984 1.00 0.00 C ATOM 2020 C VAL A 124 24.074 9.713 11.902 1.00 0.00 C ATOM 2021 O VAL A 124 23.905 8.511 12.123 1.00 0.00 O ATOM 2022 CB VAL A 124 26.192 10.186 13.311 1.00 0.00 C ATOM 2023 CG1 VAL A 124 27.077 10.126 12.052 1.00 0.00 C ATOM 2024 CG2 VAL A 124 26.923 11.086 14.338 1.00 0.00 C ATOM 0 H VAL A 124 24.193 9.912 14.899 1.00 0.00 H new ATOM 0 HA VAL A 124 24.773 11.645 12.587 1.00 0.00 H new ATOM 0 HB VAL A 124 26.059 9.196 13.746 1.00 0.00 H new ATOM 0 HG11 VAL A 124 28.084 9.813 12.329 1.00 0.00 H new ATOM 0 HG12 VAL A 124 26.656 9.411 11.345 1.00 0.00 H new ATOM 0 HG13 VAL A 124 27.119 11.112 11.589 1.00 0.00 H new ATOM 0 HG21 VAL A 124 27.930 10.704 14.504 1.00 0.00 H new ATOM 0 HG22 VAL A 124 26.980 12.104 13.954 1.00 0.00 H new ATOM 0 HG23 VAL A 124 26.374 11.084 15.280 1.00 0.00 H new ATOM 2034 N THR A 125 23.771 10.277 10.722 1.00 0.00 N ATOM 2035 CA THR A 125 23.216 9.500 9.574 1.00 0.00 C ATOM 2036 C THR A 125 24.330 9.167 8.524 1.00 0.00 C ATOM 2037 O THR A 125 24.981 10.065 7.977 1.00 0.00 O ATOM 2038 CB THR A 125 22.001 10.259 8.961 1.00 0.00 C ATOM 2039 OG1 THR A 125 21.039 10.536 9.976 1.00 0.00 O ATOM 2040 CG2 THR A 125 21.241 9.473 7.878 1.00 0.00 C ATOM 0 H THR A 125 23.897 11.270 10.526 1.00 0.00 H new ATOM 0 HA THR A 125 22.849 8.538 9.931 1.00 0.00 H new ATOM 0 HB THR A 125 22.434 11.154 8.514 1.00 0.00 H new ATOM 0 HG1 THR A 125 20.279 11.015 9.584 1.00 0.00 H new ATOM 0 HG21 THR A 125 20.412 10.075 7.506 1.00 0.00 H new ATOM 0 HG22 THR A 125 21.917 9.240 7.056 1.00 0.00 H new ATOM 0 HG23 THR A 125 20.855 8.547 8.304 1.00 0.00 H new ATOM 2048 N CYS A 126 24.496 7.871 8.208 1.00 0.00 N ATOM 2049 CA CYS A 126 25.171 7.416 6.966 1.00 0.00 C ATOM 2050 C CYS A 126 24.153 7.256 5.796 1.00 0.00 C ATOM 2051 O CYS A 126 23.147 6.549 5.918 1.00 0.00 O ATOM 2052 CB CYS A 126 25.870 6.077 7.270 1.00 0.00 C ATOM 2053 SG CYS A 126 26.497 5.281 5.750 1.00 0.00 S ATOM 0 H CYS A 126 24.170 7.107 8.800 1.00 0.00 H new ATOM 0 HA CYS A 126 25.902 8.160 6.649 1.00 0.00 H new ATOM 0 HB2 CYS A 126 26.697 6.247 7.960 1.00 0.00 H new ATOM 0 HB3 CYS A 126 25.171 5.407 7.770 1.00 0.00 H new ATOM 0 HG CYS A 126 27.306 4.314 6.068 1.00 0.00 H new ATOM 2059 N LYS A 127 24.443 7.887 4.648 1.00 0.00 N ATOM 2060 CA LYS A 127 23.616 7.745 3.419 1.00 0.00 C ATOM 2061 C LYS A 127 24.300 6.737 2.446 1.00 0.00 C ATOM 2062 O LYS A 127 25.335 7.034 1.839 1.00 0.00 O ATOM 2063 CB LYS A 127 23.378 9.137 2.774 1.00 0.00 C ATOM 2064 CG LYS A 127 22.459 10.078 3.592 1.00 0.00 C ATOM 2065 CD LYS A 127 22.090 11.403 2.887 1.00 0.00 C ATOM 2066 CE LYS A 127 21.215 11.310 1.618 1.00 0.00 C ATOM 2067 NZ LYS A 127 19.875 10.746 1.892 1.00 0.00 N ATOM 0 H LYS A 127 25.246 8.506 4.536 1.00 0.00 H new ATOM 0 HA LYS A 127 22.634 7.342 3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 127 24.342 9.626 2.631 1.00 0.00 H new ATOM 0 HB3 LYS A 127 22.943 8.995 1.785 1.00 0.00 H new ATOM 0 HG2 LYS A 127 21.540 9.544 3.834 1.00 0.00 H new ATOM 0 HG3 LYS A 127 22.951 10.311 4.537 1.00 0.00 H new ATOM 0 HD2 LYS A 127 21.573 12.036 3.608 1.00 0.00 H new ATOM 0 HD3 LYS A 127 23.016 11.913 2.622 1.00 0.00 H new ATOM 0 HE2 LYS A 127 21.105 12.303 1.183 1.00 0.00 H new ATOM 0 HE3 LYS A 127 21.721 10.692 0.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 19.163 11.252 1.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 19.864 9.737 1.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 19.654 10.851 2.903 1.00 0.00 H new ATOM 2080 N GLN A 128 23.721 5.533 2.313 1.00 0.00 N ATOM 2081 CA GLN A 128 24.199 4.504 1.353 1.00 0.00 C ATOM 2082 C GLN A 128 23.260 4.444 0.110 1.00 0.00 C ATOM 2083 O GLN A 128 22.048 4.231 0.236 1.00 0.00 O ATOM 2084 CB GLN A 128 24.309 3.131 2.065 1.00 0.00 C ATOM 2085 CG GLN A 128 25.577 2.955 2.938 1.00 0.00 C ATOM 2086 CD GLN A 128 25.824 1.541 3.481 1.00 0.00 C ATOM 2087 OE1 GLN A 128 24.995 0.638 3.452 1.00 0.00 O ATOM 2088 NE2 GLN A 128 26.996 1.293 4.005 1.00 0.00 N ATOM 0 H GLN A 128 22.912 5.239 2.861 1.00 0.00 H new ATOM 0 HA GLN A 128 25.192 4.774 0.995 1.00 0.00 H new ATOM 0 HB2 GLN A 128 23.429 2.991 2.693 1.00 0.00 H new ATOM 0 HB3 GLN A 128 24.291 2.344 1.311 1.00 0.00 H new ATOM 0 HG2 GLN A 128 26.444 3.254 2.350 1.00 0.00 H new ATOM 0 HG3 GLN A 128 25.512 3.642 3.782 1.00 0.00 H new ATOM 0 HE21 GLN A 128 27.704 2.027 4.042 1.00 0.00 H new ATOM 0 HE22 GLN A 128 27.202 0.366 4.377 1.00 0.00 H new ATOM 2097 N VAL A 129 23.837 4.612 -1.094 1.00 0.00 N ATOM 2098 CA VAL A 129 23.083 4.487 -2.376 1.00 0.00 C ATOM 2099 C VAL A 129 23.615 3.214 -3.107 1.00 0.00 C ATOM 2100 O VAL A 129 24.820 3.016 -3.292 1.00 0.00 O ATOM 2101 CB VAL A 129 23.163 5.778 -3.262 1.00 0.00 C ATOM 2102 CG1 VAL A 129 22.361 5.635 -4.580 1.00 0.00 C ATOM 2103 CG2 VAL A 129 22.621 7.044 -2.558 1.00 0.00 C ATOM 0 H VAL A 129 24.825 4.835 -1.216 1.00 0.00 H new ATOM 0 HA VAL A 129 22.018 4.378 -2.169 1.00 0.00 H new ATOM 0 HB VAL A 129 24.229 5.891 -3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 129 22.447 6.554 -5.160 1.00 0.00 H new ATOM 0 HG12 VAL A 129 22.759 4.802 -5.160 1.00 0.00 H new ATOM 0 HG13 VAL A 129 21.312 5.448 -4.349 1.00 0.00 H new ATOM 0 HG21 VAL A 129 22.707 7.899 -3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 129 21.574 6.894 -2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 129 23.199 7.233 -1.654 1.00 0.00 H new ATOM 2113 N PHE A 130 22.671 2.380 -3.548 1.00 0.00 N ATOM 2114 CA PHE A 130 22.936 1.107 -4.265 1.00 0.00 C ATOM 2115 C PHE A 130 22.189 1.079 -5.641 1.00 0.00 C ATOM 2116 O PHE A 130 21.151 1.723 -5.802 1.00 0.00 O ATOM 2117 CB PHE A 130 22.429 -0.033 -3.337 1.00 0.00 C ATOM 2118 CG PHE A 130 23.357 -0.507 -2.212 1.00 0.00 C ATOM 2119 CD1 PHE A 130 23.371 0.144 -0.973 1.00 0.00 C ATOM 2120 CD2 PHE A 130 24.119 -1.664 -2.388 1.00 0.00 C ATOM 2121 CE1 PHE A 130 24.147 -0.358 0.070 1.00 0.00 C ATOM 2122 CE2 PHE A 130 24.907 -2.150 -1.351 1.00 0.00 C ATOM 2123 CZ PHE A 130 24.917 -1.501 -0.121 1.00 0.00 C ATOM 0 H PHE A 130 21.676 2.564 -3.420 1.00 0.00 H new ATOM 0 HA PHE A 130 23.998 0.992 -4.482 1.00 0.00 H new ATOM 0 HB2 PHE A 130 21.494 0.296 -2.883 1.00 0.00 H new ATOM 0 HB3 PHE A 130 22.194 -0.894 -3.962 1.00 0.00 H new ATOM 0 HD1 PHE A 130 22.780 1.036 -0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 130 24.096 -2.184 -3.334 1.00 0.00 H new ATOM 0 HE1 PHE A 130 24.151 0.141 1.028 1.00 0.00 H new ATOM 0 HE2 PHE A 130 25.512 -3.032 -1.501 1.00 0.00 H new ATOM 0 HZ PHE A 130 25.523 -1.885 0.687 1.00 0.00 H new ATOM 2133 N LYS A 131 22.672 0.292 -6.622 1.00 0.00 N ATOM 2134 CA LYS A 131 21.980 0.086 -7.934 1.00 0.00 C ATOM 2135 C LYS A 131 21.749 -1.428 -8.258 1.00 0.00 C ATOM 2136 O LYS A 131 22.607 -2.277 -7.988 1.00 0.00 O ATOM 2137 CB LYS A 131 22.781 0.826 -9.038 1.00 0.00 C ATOM 2138 CG LYS A 131 21.990 1.075 -10.344 1.00 0.00 C ATOM 2139 CD LYS A 131 22.744 1.978 -11.338 1.00 0.00 C ATOM 2140 CE LYS A 131 21.892 2.316 -12.570 1.00 0.00 C ATOM 2141 NZ LYS A 131 22.648 3.201 -13.478 1.00 0.00 N ATOM 0 H LYS A 131 23.549 -0.222 -6.540 1.00 0.00 H new ATOM 0 HA LYS A 131 20.978 0.512 -7.883 1.00 0.00 H new ATOM 0 HB2 LYS A 131 23.119 1.785 -8.644 1.00 0.00 H new ATOM 0 HB3 LYS A 131 23.673 0.246 -9.273 1.00 0.00 H new ATOM 0 HG2 LYS A 131 21.775 0.119 -10.821 1.00 0.00 H new ATOM 0 HG3 LYS A 131 21.031 1.532 -10.101 1.00 0.00 H new ATOM 0 HD2 LYS A 131 23.039 2.900 -10.838 1.00 0.00 H new ATOM 0 HD3 LYS A 131 23.660 1.481 -11.656 1.00 0.00 H new ATOM 0 HE2 LYS A 131 21.612 1.401 -13.091 1.00 0.00 H new ATOM 0 HE3 LYS A 131 20.967 2.803 -12.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 22.065 3.425 -14.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 22.894 4.080 -12.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 23.518 2.722 -13.785 1.00 0.00 H new ATOM 2154 N LYS A 132 20.581 -1.763 -8.847 1.00 0.00 N ATOM 2155 CA LYS A 132 20.175 -3.176 -9.102 1.00 0.00 C ATOM 2156 C LYS A 132 20.944 -3.838 -10.289 1.00 0.00 C ATOM 2157 O LYS A 132 20.925 -3.334 -11.416 1.00 0.00 O ATOM 2158 CB LYS A 132 18.641 -3.205 -9.351 1.00 0.00 C ATOM 2159 CG LYS A 132 17.978 -4.587 -9.135 1.00 0.00 C ATOM 2160 CD LYS A 132 16.438 -4.504 -9.220 1.00 0.00 C ATOM 2161 CE LYS A 132 15.708 -5.844 -9.019 1.00 0.00 C ATOM 2162 NZ LYS A 132 15.713 -6.654 -10.253 1.00 0.00 N ATOM 0 H LYS A 132 19.895 -1.076 -9.159 1.00 0.00 H new ATOM 0 HA LYS A 132 20.436 -3.767 -8.224 1.00 0.00 H new ATOM 0 HB2 LYS A 132 18.165 -2.481 -8.689 1.00 0.00 H new ATOM 0 HB3 LYS A 132 18.446 -2.879 -10.373 1.00 0.00 H new ATOM 0 HG2 LYS A 132 18.346 -5.288 -9.884 1.00 0.00 H new ATOM 0 HG3 LYS A 132 18.268 -4.981 -8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 132 16.084 -3.797 -8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 132 16.163 -4.099 -10.194 1.00 0.00 H new ATOM 0 HE2 LYS A 132 16.186 -6.403 -8.214 1.00 0.00 H new ATOM 0 HE3 LYS A 132 14.680 -5.656 -8.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 14.820 -7.183 -10.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 15.812 -6.029 -11.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 16.510 -7.322 -10.227 1.00 0.00 H new ATOM 2175 N VAL A 133 21.582 -4.989 -10.027 1.00 0.00 N ATOM 2176 CA VAL A 133 22.302 -5.789 -11.073 1.00 0.00 C ATOM 2177 C VAL A 133 21.577 -7.125 -11.453 1.00 0.00 C ATOM 2178 O VAL A 133 21.520 -7.450 -12.641 1.00 0.00 O ATOM 2179 CB VAL A 133 23.827 -5.968 -10.753 1.00 0.00 C ATOM 2180 CG1 VAL A 133 24.583 -4.623 -10.711 1.00 0.00 C ATOM 2181 CG2 VAL A 133 24.162 -6.740 -9.462 1.00 0.00 C ATOM 0 H VAL A 133 21.623 -5.403 -9.096 1.00 0.00 H new ATOM 0 HA VAL A 133 22.261 -5.190 -11.983 1.00 0.00 H new ATOM 0 HB VAL A 133 24.162 -6.581 -11.589 1.00 0.00 H new ATOM 0 HG11 VAL A 133 25.634 -4.803 -10.486 1.00 0.00 H new ATOM 0 HG12 VAL A 133 24.499 -4.128 -11.678 1.00 0.00 H new ATOM 0 HG13 VAL A 133 24.151 -3.987 -9.939 1.00 0.00 H new ATOM 0 HG21 VAL A 133 25.244 -6.801 -9.345 1.00 0.00 H new ATOM 0 HG22 VAL A 133 23.733 -6.220 -8.605 1.00 0.00 H new ATOM 0 HG23 VAL A 133 23.746 -7.746 -9.521 1.00 0.00 H new ATOM 2191 N HIS A 134 21.026 -7.892 -10.486 1.00 0.00 N ATOM 2192 CA HIS A 134 20.189 -9.084 -10.774 1.00 0.00 C ATOM 2193 C HIS A 134 18.720 -8.768 -10.405 1.00 0.00 C ATOM 2194 O HIS A 134 18.416 -8.509 -9.216 1.00 0.00 O ATOM 2195 CB HIS A 134 20.772 -10.303 -10.015 1.00 0.00 C ATOM 2196 CG HIS A 134 20.185 -11.651 -10.426 1.00 0.00 C ATOM 2197 ND1 HIS A 134 19.158 -12.284 -9.756 1.00 0.00 N ATOM 2198 CD2 HIS A 134 20.580 -12.420 -11.533 1.00 0.00 C ATOM 2199 CE1 HIS A 134 19.016 -13.400 -10.538 1.00 0.00 C ATOM 2200 NE2 HIS A 134 19.824 -13.580 -11.631 1.00 0.00 N ATOM 2201 OXT HIS A 134 17.862 -8.787 -11.315 1.00 0.00 O ATOM 0 H HIS A 134 21.146 -7.706 -9.490 1.00 0.00 H new ATOM 0 HA HIS A 134 20.200 -9.338 -11.834 1.00 0.00 H new ATOM 0 HB2 HIS A 134 21.850 -10.329 -10.171 1.00 0.00 H new ATOM 0 HB3 HIS A 134 20.608 -10.161 -8.947 1.00 0.00 H new ATOM 0 HD2 HIS A 134 21.368 -12.145 -12.218 1.00 0.00 H new ATOM 0 HE1 HIS A 134 18.267 -14.139 -10.293 1.00 0.00 H new ATOM 0 HE2 HIS A 134 19.859 -14.339 -12.312 1.00 0.00 H new