USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 957 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 106 TYR OH : rot -117:sc= 0.199 USER MOD Set 1.2: A 110 ASN : amide:sc= 0.0137 K(o=0.21,f=-1.2) USER MOD Set 2.1: A 17 HIS : no HD1:sc= 0 X(o=0,f=0.0011) USER MOD Set 2.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0.0293 USER MOD Set 3.2: A 6 SER OG : rot -70:sc= 0.415 USER MOD Single : A 1 SER N :NH3+ 152:sc= 0.0386 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0338 USER MOD Single : A 3 ASN : amide:sc= 0.154 K(o=0.15,f=-0.72) USER MOD Single : A 4 ASN : amide:sc= 0.988 K(o=0.99,f=-7.1!) USER MOD Single : A 5 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 8 SER OG : rot 69:sc= 0.872 USER MOD Single : A 11 TYR OH : rot 30:sc= -0.492 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 178:sc= 1.01 (180deg=1) USER MOD Single : A 19 LYS NZ :NH3+ 148:sc= 0.6 (180deg=0.228) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 75:sc= 0.988 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 170:sc= -0.172 (180deg=-0.356) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0.0867 K(o=0.087,f=-2.8!) USER MOD Single : A 68 MET CE :methyl -155:sc= -6.04! (180deg=-9.52!) USER MOD Single : A 72 ASN : amide:sc= 1.2 K(o=1.2,f=-0.0015) USER MOD Single : A 73 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0674) USER MOD Single : A 78 CYS SG : rot 79:sc= 0.326 USER MOD Single : A 88 THR OG1 : rot -23:sc= 0.305 USER MOD Single : A 92 LYS NZ :NH3+ -165:sc= -0.0415 (180deg=-0.387) USER MOD Single : A 93 TYR OH : rot -172:sc= 1.29 USER MOD Single : A 94 ASN : amide:sc= -0.895 K(o=-0.9,f=-4.8!) USER MOD Single : A 103 MET CE :methyl -136:sc= -0.0817 (180deg=-2.54!) USER MOD Single : A 104 LYS NZ :NH3+ 173:sc= 1.31 (180deg=1.24) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HE2:sc= 0.858 K(o=0.86,f=-5.9!) USER MOD Single : A 116 HIS : no HD1:sc= 0.895 K(o=0.89,f=-4.5!) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 7.402 -0.654 13.199 1.00 0.00 N ATOM 2 CA SER A 1 6.079 -1.218 13.538 1.00 0.00 C ATOM 3 C SER A 1 5.767 -0.983 15.011 1.00 0.00 C ATOM 4 O SER A 1 6.299 -1.670 15.886 1.00 0.00 O ATOM 5 CB SER A 1 6.058 -2.712 13.218 1.00 0.00 C ATOM 6 OG SER A 1 6.471 -2.946 11.880 1.00 0.00 O ATOM 0 H1 SER A 1 7.814 -1.187 12.407 1.00 0.00 H new ATOM 0 H2 SER A 1 7.294 0.344 12.926 1.00 0.00 H new ATOM 0 H3 SER A 1 8.030 -0.721 14.025 1.00 0.00 H new ATOM 0 HA SER A 1 5.315 -0.719 12.942 1.00 0.00 H new ATOM 0 HB2 SER A 1 6.715 -3.245 13.905 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.053 -3.107 13.368 1.00 0.00 H new ATOM 0 HG SER A 1 6.452 -3.908 11.695 1.00 0.00 H new ATOM 14 N SER A 2 4.915 -0.008 15.277 1.00 0.00 N ATOM 15 CA SER A 2 4.580 0.372 16.638 1.00 0.00 C ATOM 16 C SER A 2 3.626 -0.636 17.275 1.00 0.00 C ATOM 17 O SER A 2 3.895 -1.175 18.351 1.00 0.00 O ATOM 18 CB SER A 2 3.956 1.768 16.623 1.00 0.00 C ATOM 19 OG SER A 2 2.980 1.876 15.594 1.00 0.00 O ATOM 0 H SER A 2 4.439 0.539 14.560 1.00 0.00 H new ATOM 0 HA SER A 2 5.489 0.382 17.239 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.496 1.976 17.589 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.734 2.517 16.472 1.00 0.00 H new ATOM 0 HG SER A 2 2.593 2.776 15.604 1.00 0.00 H new ATOM 25 N ASN A 3 2.527 -0.903 16.588 1.00 0.00 N ATOM 26 CA ASN A 3 1.482 -1.772 17.112 1.00 0.00 C ATOM 27 C ASN A 3 1.231 -2.938 16.165 1.00 0.00 C ATOM 28 O ASN A 3 1.946 -3.110 15.177 1.00 0.00 O ATOM 29 CB ASN A 3 0.185 -0.980 17.317 1.00 0.00 C ATOM 30 CG ASN A 3 0.303 0.082 18.397 1.00 0.00 C ATOM 31 OD1 ASN A 3 1.080 -0.060 19.342 1.00 0.00 O ATOM 32 ND2 ASN A 3 -0.469 1.147 18.267 1.00 0.00 N ATOM 0 H ASN A 3 2.334 -0.528 15.659 1.00 0.00 H new ATOM 0 HA ASN A 3 1.814 -2.166 18.073 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -0.097 -0.505 16.377 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -0.618 -1.669 17.579 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -0.435 1.890 18.965 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -1.099 1.226 17.469 1.00 0.00 H new ATOM 39 N ASN A 4 0.227 -3.747 16.477 1.00 0.00 N ATOM 40 CA ASN A 4 -0.175 -4.845 15.602 1.00 0.00 C ATOM 41 C ASN A 4 -0.987 -4.298 14.430 1.00 0.00 C ATOM 42 O ASN A 4 -1.177 -4.964 13.413 1.00 0.00 O ATOM 43 CB ASN A 4 -0.980 -5.886 16.396 1.00 0.00 C ATOM 44 CG ASN A 4 -1.406 -7.088 15.567 1.00 0.00 C ATOM 45 OD1 ASN A 4 -2.515 -7.131 15.029 1.00 0.00 O ATOM 46 ND2 ASN A 4 -0.536 -8.084 15.469 1.00 0.00 N ATOM 0 H ASN A 4 -0.326 -3.665 17.330 1.00 0.00 H new ATOM 0 HA ASN A 4 0.713 -5.337 15.206 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -0.381 -6.230 17.239 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -1.868 -5.408 16.810 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -0.775 -8.920 14.935 1.00 0.00 H new ATOM 0 HD22 ASN A 4 0.373 -8.014 15.927 1.00 0.00 H new ATOM 53 N ASN A 5 -1.442 -3.057 14.578 1.00 0.00 N ATOM 54 CA ASN A 5 -2.197 -2.376 13.530 1.00 0.00 C ATOM 55 C ASN A 5 -1.272 -1.623 12.577 1.00 0.00 C ATOM 56 O ASN A 5 -1.735 -0.872 11.719 1.00 0.00 O ATOM 57 CB ASN A 5 -3.211 -1.405 14.142 1.00 0.00 C ATOM 58 CG ASN A 5 -4.459 -2.100 14.652 1.00 0.00 C ATOM 59 OD1 ASN A 5 -4.430 -3.275 15.017 1.00 0.00 O ATOM 60 ND2 ASN A 5 -5.563 -1.372 14.694 1.00 0.00 N ATOM 0 H ASN A 5 -1.300 -2.499 15.420 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.729 -3.139 12.961 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.740 -0.866 14.964 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.494 -0.664 13.395 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.431 -1.782 15.038 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.546 -0.401 14.382 1.00 0.00 H new ATOM 67 N SER A 6 0.033 -1.820 12.729 1.00 0.00 N ATOM 68 CA SER A 6 1.004 -1.191 11.844 1.00 0.00 C ATOM 69 C SER A 6 0.919 -1.792 10.445 1.00 0.00 C ATOM 70 O SER A 6 0.679 -2.993 10.291 1.00 0.00 O ATOM 71 CB SER A 6 2.414 -1.336 12.414 1.00 0.00 C ATOM 72 OG SER A 6 2.536 -0.629 13.640 1.00 0.00 O ATOM 0 H SER A 6 0.441 -2.409 13.455 1.00 0.00 H new ATOM 0 HA SER A 6 0.773 -0.128 11.771 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.641 -2.390 12.573 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.142 -0.958 11.697 1.00 0.00 H new ATOM 0 HG SER A 6 2.513 0.335 13.465 1.00 0.00 H new ATOM 78 N PHE A 7 1.116 -0.950 9.436 1.00 0.00 N ATOM 79 CA PHE A 7 0.924 -1.348 8.049 1.00 0.00 C ATOM 80 C PHE A 7 1.818 -2.529 7.678 1.00 0.00 C ATOM 81 O PHE A 7 1.342 -3.506 7.102 1.00 0.00 O ATOM 82 CB PHE A 7 1.193 -0.165 7.115 1.00 0.00 C ATOM 83 CG PHE A 7 0.625 -0.349 5.734 1.00 0.00 C ATOM 84 CD1 PHE A 7 1.358 -0.980 4.743 1.00 0.00 C ATOM 85 CD2 PHE A 7 -0.648 0.107 5.434 1.00 0.00 C ATOM 86 CE1 PHE A 7 0.831 -1.150 3.478 1.00 0.00 C ATOM 87 CE2 PHE A 7 -1.180 -0.060 4.169 1.00 0.00 C ATOM 88 CZ PHE A 7 -0.439 -0.689 3.191 1.00 0.00 C ATOM 0 H PHE A 7 1.411 0.019 9.556 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.113 -1.664 7.933 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.771 0.738 7.555 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.269 -0.010 7.039 1.00 0.00 H new ATOM 0 HD1 PHE A 7 2.352 -1.343 4.962 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.232 0.599 6.198 1.00 0.00 H new ATOM 0 HE1 PHE A 7 1.412 -1.644 2.713 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.173 0.301 3.947 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.851 -0.821 2.202 1.00 0.00 H new ATOM 98 N SER A 8 3.106 -2.443 8.015 1.00 0.00 N ATOM 99 CA SER A 8 4.057 -3.515 7.713 1.00 0.00 C ATOM 100 C SER A 8 3.588 -4.866 8.261 1.00 0.00 C ATOM 101 O SER A 8 3.714 -5.893 7.592 1.00 0.00 O ATOM 102 CB SER A 8 5.432 -3.179 8.291 1.00 0.00 C ATOM 103 OG SER A 8 5.935 -1.975 7.742 1.00 0.00 O ATOM 0 H SER A 8 3.515 -1.642 8.497 1.00 0.00 H new ATOM 0 HA SER A 8 4.122 -3.595 6.628 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.362 -3.087 9.375 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.126 -3.994 8.085 1.00 0.00 H new ATOM 0 HG SER A 8 5.400 -1.220 8.065 1.00 0.00 H new ATOM 109 N ALA A 9 3.033 -4.856 9.469 1.00 0.00 N ATOM 110 CA ALA A 9 2.574 -6.081 10.113 1.00 0.00 C ATOM 111 C ALA A 9 1.458 -6.732 9.304 1.00 0.00 C ATOM 112 O ALA A 9 1.518 -7.922 8.977 1.00 0.00 O ATOM 113 CB ALA A 9 2.102 -5.791 11.531 1.00 0.00 C ATOM 0 H ALA A 9 2.890 -4.011 10.022 1.00 0.00 H new ATOM 0 HA ALA A 9 3.412 -6.776 10.160 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.763 -6.716 11.998 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.925 -5.373 12.110 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.280 -5.076 11.502 1.00 0.00 H new ATOM 119 N ILE A 10 0.454 -5.936 8.963 1.00 0.00 N ATOM 120 CA ILE A 10 -0.687 -6.421 8.201 1.00 0.00 C ATOM 121 C ILE A 10 -0.263 -6.771 6.780 1.00 0.00 C ATOM 122 O ILE A 10 -0.740 -7.746 6.196 1.00 0.00 O ATOM 123 CB ILE A 10 -1.808 -5.367 8.155 1.00 0.00 C ATOM 124 CG1 ILE A 10 -2.110 -4.871 9.570 1.00 0.00 C ATOM 125 CG2 ILE A 10 -3.063 -5.944 7.506 1.00 0.00 C ATOM 126 CD1 ILE A 10 -3.130 -3.759 9.620 1.00 0.00 C ATOM 0 H ILE A 10 0.407 -4.946 9.204 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.066 -7.314 8.698 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.475 -4.524 7.550 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.468 -5.708 10.170 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.184 -4.523 10.029 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.843 -5.183 7.483 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.834 -6.260 6.488 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.409 -6.802 8.083 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.292 -3.460 10.656 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.766 -2.905 9.049 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.070 -4.108 9.192 1.00 0.00 H new ATOM 138 N TYR A 11 0.650 -5.972 6.238 1.00 0.00 N ATOM 139 CA TYR A 11 1.180 -6.206 4.905 1.00 0.00 C ATOM 140 C TYR A 11 1.856 -7.565 4.833 1.00 0.00 C ATOM 141 O TYR A 11 1.685 -8.285 3.862 1.00 0.00 O ATOM 142 CB TYR A 11 2.176 -5.114 4.506 1.00 0.00 C ATOM 143 CG TYR A 11 2.719 -5.289 3.104 1.00 0.00 C ATOM 144 CD1 TYR A 11 1.957 -4.942 1.998 1.00 0.00 C ATOM 145 CD2 TYR A 11 3.986 -5.822 2.887 1.00 0.00 C ATOM 146 CE1 TYR A 11 2.439 -5.117 0.716 1.00 0.00 C ATOM 147 CE2 TYR A 11 4.472 -6.003 1.606 1.00 0.00 C ATOM 148 CZ TYR A 11 3.695 -5.647 0.526 1.00 0.00 C ATOM 149 OH TYR A 11 4.169 -5.827 -0.753 1.00 0.00 O ATOM 0 H TYR A 11 1.038 -5.153 6.706 1.00 0.00 H new ATOM 0 HA TYR A 11 0.343 -6.183 4.207 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.690 -4.142 4.582 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.006 -5.111 5.213 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.970 -4.528 2.142 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.599 -6.098 3.732 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.833 -4.839 -0.134 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.456 -6.421 1.453 1.00 0.00 H new ATOM 0 HH TYR A 11 3.778 -5.151 -1.345 1.00 0.00 H new ATOM 159 N LYS A 12 2.619 -7.911 5.864 1.00 0.00 N ATOM 160 CA LYS A 12 3.315 -9.191 5.893 1.00 0.00 C ATOM 161 C LYS A 12 2.323 -10.352 5.879 1.00 0.00 C ATOM 162 O LYS A 12 2.513 -11.324 5.148 1.00 0.00 O ATOM 163 CB LYS A 12 4.231 -9.288 7.115 1.00 0.00 C ATOM 164 CG LYS A 12 4.995 -10.600 7.192 1.00 0.00 C ATOM 165 CD LYS A 12 6.052 -10.578 8.279 1.00 0.00 C ATOM 166 CE LYS A 12 6.797 -11.900 8.344 1.00 0.00 C ATOM 167 NZ LYS A 12 7.964 -11.838 9.258 1.00 0.00 N ATOM 0 H LYS A 12 2.770 -7.326 6.686 1.00 0.00 H new ATOM 0 HA LYS A 12 3.931 -9.255 4.996 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.942 -8.462 7.094 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.633 -9.170 8.019 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.297 -11.416 7.381 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.468 -10.802 6.231 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.757 -9.769 8.089 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.584 -10.373 9.242 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.116 -12.683 8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.134 -12.175 7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.443 -12.761 9.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.627 -11.109 8.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.641 -11.601 10.218 1.00 0.00 H new ATOM 181 N GLU A 13 1.262 -10.238 6.673 1.00 0.00 N ATOM 182 CA GLU A 13 0.228 -11.272 6.717 1.00 0.00 C ATOM 183 C GLU A 13 -0.409 -11.446 5.343 1.00 0.00 C ATOM 184 O GLU A 13 -0.546 -12.562 4.837 1.00 0.00 O ATOM 185 CB GLU A 13 -0.845 -10.911 7.744 1.00 0.00 C ATOM 186 CG GLU A 13 -0.302 -10.746 9.151 1.00 0.00 C ATOM 187 CD GLU A 13 -1.377 -10.381 10.154 1.00 0.00 C ATOM 188 OE1 GLU A 13 -2.493 -10.012 9.733 1.00 0.00 O ATOM 189 OE2 GLU A 13 -1.108 -10.453 11.374 1.00 0.00 O ATOM 0 H GLU A 13 1.094 -9.445 7.292 1.00 0.00 H new ATOM 0 HA GLU A 13 0.696 -12.211 7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.332 -9.984 7.439 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.610 -11.687 7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.179 -11.674 9.461 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.467 -9.973 9.151 1.00 0.00 H new ATOM 196 N TRP A 14 -0.780 -10.328 4.741 1.00 0.00 N ATOM 197 CA TRP A 14 -1.363 -10.319 3.412 1.00 0.00 C ATOM 198 C TRP A 14 -0.355 -10.823 2.373 1.00 0.00 C ATOM 199 O TRP A 14 -0.698 -11.611 1.489 1.00 0.00 O ATOM 200 CB TRP A 14 -1.832 -8.897 3.086 1.00 0.00 C ATOM 201 CG TRP A 14 -2.216 -8.681 1.657 1.00 0.00 C ATOM 202 CD1 TRP A 14 -3.429 -8.924 1.082 1.00 0.00 C ATOM 203 CD2 TRP A 14 -1.375 -8.161 0.626 1.00 0.00 C ATOM 204 NE1 TRP A 14 -3.388 -8.589 -0.250 1.00 0.00 N ATOM 205 CE2 TRP A 14 -2.138 -8.114 -0.552 1.00 0.00 C ATOM 206 CE3 TRP A 14 -0.050 -7.728 0.589 1.00 0.00 C ATOM 207 CZ2 TRP A 14 -1.613 -7.653 -1.759 1.00 0.00 C ATOM 208 CZ3 TRP A 14 0.469 -7.271 -0.603 1.00 0.00 C ATOM 209 CH2 TRP A 14 -0.312 -7.234 -1.764 1.00 0.00 C ATOM 0 H TRP A 14 -0.685 -9.403 5.160 1.00 0.00 H new ATOM 0 HA TRP A 14 -2.219 -10.993 3.383 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -2.686 -8.656 3.719 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.037 -8.198 3.345 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -4.292 -9.320 1.596 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.162 -8.679 -0.908 1.00 0.00 H new ATOM 0 HE3 TRP A 14 0.560 -7.750 1.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -2.213 -7.628 -2.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 1.495 -6.936 -0.642 1.00 0.00 H new ATOM 0 HH2 TRP A 14 0.122 -6.867 -2.682 1.00 0.00 H new ATOM 220 N TYR A 15 0.887 -10.375 2.505 1.00 0.00 N ATOM 221 CA TYR A 15 1.967 -10.763 1.601 1.00 0.00 C ATOM 222 C TYR A 15 2.196 -12.270 1.616 1.00 0.00 C ATOM 223 O TYR A 15 2.215 -12.904 0.567 1.00 0.00 O ATOM 224 CB TYR A 15 3.259 -10.025 1.977 1.00 0.00 C ATOM 225 CG TYR A 15 4.521 -10.680 1.455 1.00 0.00 C ATOM 226 CD1 TYR A 15 4.803 -10.720 0.096 1.00 0.00 C ATOM 227 CD2 TYR A 15 5.421 -11.273 2.331 1.00 0.00 C ATOM 228 CE1 TYR A 15 5.949 -11.332 -0.373 1.00 0.00 C ATOM 229 CE2 TYR A 15 6.566 -11.888 1.870 1.00 0.00 C ATOM 230 CZ TYR A 15 6.827 -11.915 0.518 1.00 0.00 C ATOM 231 OH TYR A 15 7.966 -12.533 0.056 1.00 0.00 O ATOM 0 H TYR A 15 1.176 -9.732 3.242 1.00 0.00 H new ATOM 0 HA TYR A 15 1.674 -10.483 0.589 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.207 -9.006 1.594 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.322 -9.955 3.063 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.117 -10.266 -0.604 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.221 -11.252 3.392 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.157 -11.354 -1.433 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.254 -12.346 2.565 1.00 0.00 H new ATOM 0 HH TYR A 15 8.475 -12.890 0.814 1.00 0.00 H new ATOM 241 N GLU A 16 2.362 -12.843 2.802 1.00 0.00 N ATOM 242 CA GLU A 16 2.633 -14.270 2.914 1.00 0.00 C ATOM 243 C GLU A 16 1.423 -15.094 2.497 1.00 0.00 C ATOM 244 O GLU A 16 1.553 -16.252 2.102 1.00 0.00 O ATOM 245 CB GLU A 16 3.074 -14.630 4.332 1.00 0.00 C ATOM 246 CG GLU A 16 4.399 -14.003 4.722 1.00 0.00 C ATOM 247 CD GLU A 16 5.034 -14.686 5.911 1.00 0.00 C ATOM 248 OE1 GLU A 16 5.769 -15.675 5.702 1.00 0.00 O ATOM 249 OE2 GLU A 16 4.798 -14.249 7.057 1.00 0.00 O ATOM 0 H GLU A 16 2.314 -12.347 3.692 1.00 0.00 H new ATOM 0 HA GLU A 16 3.450 -14.509 2.233 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.306 -14.310 5.037 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.153 -15.714 4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.082 -14.048 3.874 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.245 -12.949 4.952 1.00 0.00 H new ATOM 256 N HIS A 17 0.252 -14.481 2.565 1.00 0.00 N ATOM 257 CA HIS A 17 -0.971 -15.115 2.099 1.00 0.00 C ATOM 258 C HIS A 17 -0.977 -15.135 0.569 1.00 0.00 C ATOM 259 O HIS A 17 -1.217 -16.168 -0.058 1.00 0.00 O ATOM 260 CB HIS A 17 -2.184 -14.342 2.626 1.00 0.00 C ATOM 261 CG HIS A 17 -3.436 -15.156 2.742 1.00 0.00 C ATOM 262 ND1 HIS A 17 -4.197 -15.542 1.660 1.00 0.00 N ATOM 263 CD2 HIS A 17 -4.066 -15.650 3.834 1.00 0.00 C ATOM 264 CE1 HIS A 17 -5.235 -16.238 2.081 1.00 0.00 C ATOM 265 NE2 HIS A 17 -5.182 -16.320 3.395 1.00 0.00 N ATOM 0 H HIS A 17 0.123 -13.541 2.940 1.00 0.00 H new ATOM 0 HA HIS A 17 -1.021 -16.139 2.469 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.940 -13.932 3.606 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.375 -13.496 1.965 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.750 -15.538 4.861 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.001 -16.669 1.453 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.858 -16.801 3.988 1.00 0.00 H new ATOM 274 N LYS A 18 -0.681 -13.982 -0.023 1.00 0.00 N ATOM 275 CA LYS A 18 -0.625 -13.840 -1.477 1.00 0.00 C ATOM 276 C LYS A 18 0.589 -14.562 -2.061 1.00 0.00 C ATOM 277 O LYS A 18 0.642 -14.842 -3.259 1.00 0.00 O ATOM 278 CB LYS A 18 -0.573 -12.362 -1.862 1.00 0.00 C ATOM 279 CG LYS A 18 -1.893 -11.620 -1.708 1.00 0.00 C ATOM 280 CD LYS A 18 -2.923 -12.094 -2.722 1.00 0.00 C ATOM 281 CE LYS A 18 -4.077 -11.114 -2.855 1.00 0.00 C ATOM 282 NZ LYS A 18 -4.835 -10.950 -1.585 1.00 0.00 N ATOM 0 H LYS A 18 -0.474 -13.123 0.487 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.527 -14.294 -1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.181 -11.867 -1.250 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.245 -12.281 -2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.279 -11.769 -0.700 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.726 -10.550 -1.831 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.444 -12.225 -3.692 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.307 -13.069 -2.422 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.692 -10.145 -3.172 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.754 -11.459 -3.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.589 -10.247 -1.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.255 -11.861 -1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.191 -10.627 -0.835 1.00 0.00 H new ATOM 296 N LYS A 19 1.559 -14.858 -1.205 1.00 0.00 N ATOM 297 CA LYS A 19 2.770 -15.570 -1.606 1.00 0.00 C ATOM 298 C LYS A 19 2.432 -16.967 -2.126 1.00 0.00 C ATOM 299 O LYS A 19 3.197 -17.569 -2.880 1.00 0.00 O ATOM 300 CB LYS A 19 3.737 -15.646 -0.413 1.00 0.00 C ATOM 301 CG LYS A 19 4.995 -16.461 -0.667 1.00 0.00 C ATOM 302 CD LYS A 19 6.003 -16.310 0.468 1.00 0.00 C ATOM 303 CE LYS A 19 5.405 -16.665 1.825 1.00 0.00 C ATOM 304 NZ LYS A 19 6.378 -16.450 2.933 1.00 0.00 N ATOM 0 H LYS A 19 1.531 -14.613 -0.215 1.00 0.00 H new ATOM 0 HA LYS A 19 3.252 -15.026 -2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.027 -14.633 -0.132 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.209 -16.074 0.439 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.731 -17.512 -0.782 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.452 -16.143 -1.604 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.864 -16.950 0.274 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.369 -15.283 0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.516 -16.059 2.000 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.085 -17.707 1.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.867 -16.168 3.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.900 -17.332 3.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.047 -15.700 2.667 1.00 0.00 H new ATOM 318 N GLN A 20 1.269 -17.472 -1.737 1.00 0.00 N ATOM 319 CA GLN A 20 0.830 -18.783 -2.185 1.00 0.00 C ATOM 320 C GLN A 20 0.025 -18.669 -3.475 1.00 0.00 C ATOM 321 O GLN A 20 -0.470 -19.665 -4.003 1.00 0.00 O ATOM 322 CB GLN A 20 -0.001 -19.462 -1.101 1.00 0.00 C ATOM 323 CG GLN A 20 0.744 -19.606 0.213 1.00 0.00 C ATOM 324 CD GLN A 20 -0.020 -20.416 1.235 1.00 0.00 C ATOM 325 OE1 GLN A 20 -1.253 -20.430 1.244 1.00 0.00 O ATOM 326 NE2 GLN A 20 0.707 -21.103 2.096 1.00 0.00 N ATOM 0 H GLN A 20 0.616 -16.995 -1.115 1.00 0.00 H new ATOM 0 HA GLN A 20 1.712 -19.392 -2.383 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.912 -18.887 -0.935 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.306 -20.449 -1.449 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.708 -20.079 0.028 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.948 -18.616 0.620 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.725 -21.061 2.051 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.251 -21.676 2.806 1.00 0.00 H new ATOM 335 N VAL A 21 -0.102 -17.448 -3.975 1.00 0.00 N ATOM 336 CA VAL A 21 -0.826 -17.194 -5.211 1.00 0.00 C ATOM 337 C VAL A 21 0.142 -16.773 -6.312 1.00 0.00 C ATOM 338 O VAL A 21 0.127 -17.320 -7.417 1.00 0.00 O ATOM 339 CB VAL A 21 -1.902 -16.100 -5.022 1.00 0.00 C ATOM 340 CG1 VAL A 21 -2.672 -15.867 -6.313 1.00 0.00 C ATOM 341 CG2 VAL A 21 -2.852 -16.475 -3.892 1.00 0.00 C ATOM 0 H VAL A 21 0.290 -16.613 -3.540 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.325 -18.120 -5.497 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.398 -15.171 -4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.423 -15.093 -6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.983 -15.549 -7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.163 -16.792 -6.616 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.603 -15.694 -3.773 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.344 -17.418 -4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.290 -16.582 -2.964 1.00 0.00 H new ATOM 351 N TRP A 22 0.994 -15.812 -5.993 1.00 0.00 N ATOM 352 CA TRP A 22 1.978 -15.316 -6.946 1.00 0.00 C ATOM 353 C TRP A 22 3.188 -16.236 -6.998 1.00 0.00 C ATOM 354 O TRP A 22 3.321 -17.154 -6.188 1.00 0.00 O ATOM 355 CB TRP A 22 2.455 -13.913 -6.562 1.00 0.00 C ATOM 356 CG TRP A 22 1.370 -12.891 -6.454 1.00 0.00 C ATOM 357 CD1 TRP A 22 0.290 -12.737 -7.272 1.00 0.00 C ATOM 358 CD2 TRP A 22 1.285 -11.855 -5.473 1.00 0.00 C ATOM 359 NE1 TRP A 22 -0.470 -11.675 -6.848 1.00 0.00 N ATOM 360 CE2 TRP A 22 0.122 -11.116 -5.748 1.00 0.00 C ATOM 361 CE3 TRP A 22 2.081 -11.485 -4.385 1.00 0.00 C ATOM 362 CZ2 TRP A 22 -0.266 -10.028 -4.973 1.00 0.00 C ATOM 363 CZ3 TRP A 22 1.696 -10.404 -3.619 1.00 0.00 C ATOM 364 CH2 TRP A 22 0.532 -9.686 -3.916 1.00 0.00 C ATOM 0 H TRP A 22 1.025 -15.358 -5.080 1.00 0.00 H new ATOM 0 HA TRP A 22 1.494 -15.284 -7.922 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.977 -13.971 -5.607 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.181 -13.576 -7.302 1.00 0.00 H new ATOM 0 HD1 TRP A 22 0.066 -13.358 -8.127 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -1.335 -11.355 -7.282 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.980 -12.035 -4.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.165 -9.473 -5.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 2.303 -10.107 -2.776 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.258 -8.844 -3.298 1.00 0.00 H new ATOM 375 N SER A 23 4.066 -15.981 -7.953 1.00 0.00 N ATOM 376 CA SER A 23 5.334 -16.678 -8.025 1.00 0.00 C ATOM 377 C SER A 23 6.262 -16.166 -6.930 1.00 0.00 C ATOM 378 O SER A 23 6.254 -14.975 -6.619 1.00 0.00 O ATOM 379 CB SER A 23 5.964 -16.470 -9.399 1.00 0.00 C ATOM 380 OG SER A 23 5.072 -16.867 -10.425 1.00 0.00 O ATOM 0 H SER A 23 3.921 -15.293 -8.692 1.00 0.00 H new ATOM 0 HA SER A 23 5.170 -17.745 -7.877 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.230 -15.421 -9.527 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.888 -17.044 -9.471 1.00 0.00 H new ATOM 0 HG SER A 23 5.493 -16.724 -11.298 1.00 0.00 H new ATOM 386 N VAL A 24 7.044 -17.064 -6.343 1.00 0.00 N ATOM 387 CA VAL A 24 7.913 -16.714 -5.221 1.00 0.00 C ATOM 388 C VAL A 24 8.851 -15.547 -5.565 1.00 0.00 C ATOM 389 O VAL A 24 8.985 -14.610 -4.780 1.00 0.00 O ATOM 390 CB VAL A 24 8.729 -17.939 -4.736 1.00 0.00 C ATOM 391 CG1 VAL A 24 9.699 -18.421 -5.803 1.00 0.00 C ATOM 392 CG2 VAL A 24 9.464 -17.622 -3.444 1.00 0.00 C ATOM 0 H VAL A 24 7.096 -18.043 -6.625 1.00 0.00 H new ATOM 0 HA VAL A 24 7.263 -16.390 -4.408 1.00 0.00 H new ATOM 0 HB VAL A 24 8.024 -18.747 -4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.254 -19.281 -5.428 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.144 -18.708 -6.696 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.395 -17.620 -6.051 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.030 -18.497 -3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.147 -16.789 -3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.743 -17.353 -2.672 1.00 0.00 H new ATOM 402 N GLY A 25 9.458 -15.585 -6.750 1.00 0.00 N ATOM 403 CA GLY A 25 10.368 -14.528 -7.150 1.00 0.00 C ATOM 404 C GLY A 25 9.651 -13.207 -7.323 1.00 0.00 C ATOM 405 O GLY A 25 10.164 -12.150 -6.941 1.00 0.00 O ATOM 0 H GLY A 25 9.335 -16.328 -7.438 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.153 -14.421 -6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.856 -14.802 -8.085 1.00 0.00 H new ATOM 409 N TYR A 26 8.454 -13.277 -7.888 1.00 0.00 N ATOM 410 CA TYR A 26 7.621 -12.101 -8.071 1.00 0.00 C ATOM 411 C TYR A 26 7.200 -11.535 -6.721 1.00 0.00 C ATOM 412 O TYR A 26 7.308 -10.336 -6.487 1.00 0.00 O ATOM 413 CB TYR A 26 6.384 -12.454 -8.903 1.00 0.00 C ATOM 414 CG TYR A 26 5.424 -11.301 -9.097 1.00 0.00 C ATOM 415 CD1 TYR A 26 5.686 -10.302 -10.025 1.00 0.00 C ATOM 416 CD2 TYR A 26 4.253 -11.212 -8.351 1.00 0.00 C ATOM 417 CE1 TYR A 26 4.811 -9.247 -10.204 1.00 0.00 C ATOM 418 CE2 TYR A 26 3.374 -10.161 -8.525 1.00 0.00 C ATOM 419 CZ TYR A 26 3.656 -9.181 -9.452 1.00 0.00 C ATOM 420 OH TYR A 26 2.781 -8.133 -9.630 1.00 0.00 O ATOM 0 H TYR A 26 8.037 -14.143 -8.229 1.00 0.00 H new ATOM 0 HA TYR A 26 8.199 -11.345 -8.602 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.706 -12.813 -9.880 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.856 -13.276 -8.419 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.588 -10.350 -10.617 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.028 -11.978 -7.624 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.030 -8.478 -10.929 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.470 -10.107 -7.937 1.00 0.00 H new ATOM 0 HH TYR A 26 2.018 -8.237 -9.024 1.00 0.00 H new ATOM 430 N ALA A 27 6.736 -12.413 -5.838 1.00 0.00 N ATOM 431 CA ALA A 27 6.261 -12.008 -4.522 1.00 0.00 C ATOM 432 C ALA A 27 7.360 -11.319 -3.721 1.00 0.00 C ATOM 433 O ALA A 27 7.136 -10.257 -3.137 1.00 0.00 O ATOM 434 CB ALA A 27 5.724 -13.212 -3.760 1.00 0.00 C ATOM 0 H ALA A 27 6.679 -13.416 -6.013 1.00 0.00 H new ATOM 0 HA ALA A 27 5.453 -11.290 -4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.373 -12.894 -2.778 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.897 -13.655 -4.315 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.517 -13.950 -3.640 1.00 0.00 H new ATOM 440 N THR A 28 8.548 -11.919 -3.704 1.00 0.00 N ATOM 441 CA THR A 28 9.678 -11.360 -2.974 1.00 0.00 C ATOM 442 C THR A 28 9.993 -9.935 -3.429 1.00 0.00 C ATOM 443 O THR A 28 10.082 -9.020 -2.608 1.00 0.00 O ATOM 444 CB THR A 28 10.935 -12.235 -3.140 1.00 0.00 C ATOM 445 OG1 THR A 28 10.643 -13.580 -2.747 1.00 0.00 O ATOM 446 CG2 THR A 28 12.086 -11.702 -2.303 1.00 0.00 C ATOM 0 H THR A 28 8.751 -12.793 -4.189 1.00 0.00 H new ATOM 0 HA THR A 28 9.392 -11.337 -1.922 1.00 0.00 H new ATOM 0 HB THR A 28 11.230 -12.211 -4.189 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.103 -14.013 -3.440 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.960 -12.339 -2.439 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.324 -10.686 -2.617 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.800 -11.699 -1.251 1.00 0.00 H new ATOM 454 N GLU A 29 10.136 -9.740 -4.734 1.00 0.00 N ATOM 455 CA GLU A 29 10.516 -8.437 -5.256 1.00 0.00 C ATOM 456 C GLU A 29 9.332 -7.474 -5.278 1.00 0.00 C ATOM 457 O GLU A 29 9.520 -6.257 -5.268 1.00 0.00 O ATOM 458 CB GLU A 29 11.152 -8.565 -6.637 1.00 0.00 C ATOM 459 CG GLU A 29 12.484 -9.296 -6.596 1.00 0.00 C ATOM 460 CD GLU A 29 13.263 -9.182 -7.886 1.00 0.00 C ATOM 461 OE1 GLU A 29 13.783 -8.086 -8.176 1.00 0.00 O ATOM 462 OE2 GLU A 29 13.384 -10.194 -8.611 1.00 0.00 O ATOM 0 H GLU A 29 9.996 -10.460 -5.442 1.00 0.00 H new ATOM 0 HA GLU A 29 11.262 -8.017 -4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.469 -9.096 -7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.299 -7.571 -7.060 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.085 -8.897 -5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.307 -10.349 -6.377 1.00 0.00 H new ATOM 469 N LEU A 30 8.116 -8.014 -5.294 1.00 0.00 N ATOM 470 CA LEU A 30 6.919 -7.195 -5.147 1.00 0.00 C ATOM 471 C LEU A 30 6.926 -6.526 -3.783 1.00 0.00 C ATOM 472 O LEU A 30 6.682 -5.324 -3.663 1.00 0.00 O ATOM 473 CB LEU A 30 5.649 -8.041 -5.325 1.00 0.00 C ATOM 474 CG LEU A 30 4.324 -7.329 -5.011 1.00 0.00 C ATOM 475 CD1 LEU A 30 3.230 -7.808 -5.944 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.909 -7.567 -3.565 1.00 0.00 C ATOM 0 H LEU A 30 7.935 -9.011 -5.407 1.00 0.00 H new ATOM 0 HA LEU A 30 6.920 -6.429 -5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.613 -8.397 -6.354 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.728 -8.920 -4.686 1.00 0.00 H new ATOM 0 HG LEU A 30 4.475 -6.260 -5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.299 -7.293 -5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.511 -7.593 -6.975 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.092 -8.882 -5.822 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.968 -7.053 -3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.781 -8.636 -3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.680 -7.183 -2.897 1.00 0.00 H new ATOM 488 N ALA A 31 7.215 -7.315 -2.758 1.00 0.00 N ATOM 489 CA ALA A 31 7.333 -6.794 -1.412 1.00 0.00 C ATOM 490 C ALA A 31 8.530 -5.856 -1.319 1.00 0.00 C ATOM 491 O ALA A 31 8.450 -4.801 -0.712 1.00 0.00 O ATOM 492 CB ALA A 31 7.460 -7.933 -0.410 1.00 0.00 C ATOM 0 H ALA A 31 7.372 -8.320 -2.838 1.00 0.00 H new ATOM 0 HA ALA A 31 6.432 -6.230 -1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.548 -7.524 0.597 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.576 -8.569 -0.468 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.347 -8.523 -0.640 1.00 0.00 H new ATOM 498 N LYS A 32 9.626 -6.238 -1.967 1.00 0.00 N ATOM 499 CA LYS A 32 10.860 -5.457 -1.938 1.00 0.00 C ATOM 500 C LYS A 32 10.650 -4.027 -2.447 1.00 0.00 C ATOM 501 O LYS A 32 11.121 -3.072 -1.829 1.00 0.00 O ATOM 502 CB LYS A 32 11.938 -6.150 -2.772 1.00 0.00 C ATOM 503 CG LYS A 32 13.277 -5.434 -2.753 1.00 0.00 C ATOM 504 CD LYS A 32 14.294 -6.120 -3.650 1.00 0.00 C ATOM 505 CE LYS A 32 15.613 -5.367 -3.667 1.00 0.00 C ATOM 506 NZ LYS A 32 16.589 -5.976 -4.606 1.00 0.00 N ATOM 0 H LYS A 32 9.685 -7.091 -2.523 1.00 0.00 H new ATOM 0 HA LYS A 32 11.181 -5.394 -0.898 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.074 -7.166 -2.402 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.593 -6.229 -3.803 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.143 -4.402 -3.078 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.657 -5.400 -1.732 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.460 -7.140 -3.302 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.899 -6.189 -4.664 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.435 -4.330 -3.951 1.00 0.00 H new ATOM 0 HE3 LYS A 32 16.036 -5.354 -2.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.475 -5.432 -4.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 16.779 -6.958 -4.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.197 -5.966 -5.569 1.00 0.00 H new ATOM 520 N MET A 33 9.957 -3.881 -3.574 1.00 0.00 N ATOM 521 CA MET A 33 9.701 -2.555 -4.142 1.00 0.00 C ATOM 522 C MET A 33 8.667 -1.798 -3.311 1.00 0.00 C ATOM 523 O MET A 33 8.730 -0.574 -3.188 1.00 0.00 O ATOM 524 CB MET A 33 9.275 -2.660 -5.619 1.00 0.00 C ATOM 525 CG MET A 33 8.072 -3.556 -5.878 1.00 0.00 C ATOM 526 SD MET A 33 6.492 -2.699 -5.714 1.00 0.00 S ATOM 527 CE MET A 33 6.511 -1.660 -7.171 1.00 0.00 C ATOM 0 H MET A 33 9.565 -4.655 -4.110 1.00 0.00 H new ATOM 0 HA MET A 33 10.630 -1.985 -4.110 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.051 -1.660 -5.989 1.00 0.00 H new ATOM 0 HB3 MET A 33 10.119 -3.033 -6.200 1.00 0.00 H new ATOM 0 HG2 MET A 33 8.148 -3.973 -6.882 1.00 0.00 H new ATOM 0 HG3 MET A 33 8.096 -4.395 -5.182 1.00 0.00 H new ATOM 0 HE1 MET A 33 5.530 -1.204 -7.305 1.00 0.00 H new ATOM 0 HE2 MET A 33 7.261 -0.879 -7.051 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.753 -2.264 -8.045 1.00 0.00 H new ATOM 537 N PHE A 34 7.735 -2.535 -2.719 1.00 0.00 N ATOM 538 CA PHE A 34 6.751 -1.945 -1.825 1.00 0.00 C ATOM 539 C PHE A 34 7.457 -1.430 -0.571 1.00 0.00 C ATOM 540 O PHE A 34 7.276 -0.286 -0.177 1.00 0.00 O ATOM 541 CB PHE A 34 5.687 -2.987 -1.459 1.00 0.00 C ATOM 542 CG PHE A 34 4.474 -2.422 -0.772 1.00 0.00 C ATOM 543 CD1 PHE A 34 4.460 -2.229 0.600 1.00 0.00 C ATOM 544 CD2 PHE A 34 3.340 -2.099 -1.500 1.00 0.00 C ATOM 545 CE1 PHE A 34 3.338 -1.724 1.230 1.00 0.00 C ATOM 546 CE2 PHE A 34 2.217 -1.591 -0.877 1.00 0.00 C ATOM 547 CZ PHE A 34 2.217 -1.403 0.490 1.00 0.00 C ATOM 0 H PHE A 34 7.641 -3.543 -2.843 1.00 0.00 H new ATOM 0 HA PHE A 34 6.255 -1.110 -2.321 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.370 -3.499 -2.368 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.139 -3.738 -0.812 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.335 -2.476 1.183 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.334 -2.247 -2.570 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.338 -1.581 2.300 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.341 -1.342 -1.458 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.341 -1.005 0.981 1.00 0.00 H new ATOM 557 N ASP A 35 8.281 -2.280 0.033 1.00 0.00 N ATOM 558 CA ASP A 35 9.063 -1.895 1.208 1.00 0.00 C ATOM 559 C ASP A 35 9.967 -0.712 0.896 1.00 0.00 C ATOM 560 O ASP A 35 10.076 0.221 1.685 1.00 0.00 O ATOM 561 CB ASP A 35 9.929 -3.061 1.711 1.00 0.00 C ATOM 562 CG ASP A 35 9.163 -4.072 2.545 1.00 0.00 C ATOM 563 OD1 ASP A 35 8.793 -3.746 3.691 1.00 0.00 O ATOM 564 OD2 ASP A 35 8.957 -5.209 2.068 1.00 0.00 O ATOM 0 H ASP A 35 8.426 -3.243 -0.271 1.00 0.00 H new ATOM 0 HA ASP A 35 8.352 -1.616 1.985 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.371 -3.570 0.854 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.752 -2.662 2.304 1.00 0.00 H new ATOM 569 N ASP A 36 10.599 -0.744 -0.267 1.00 0.00 N ATOM 570 CA ASP A 36 11.590 0.265 -0.630 1.00 0.00 C ATOM 571 C ASP A 36 10.984 1.665 -0.692 1.00 0.00 C ATOM 572 O ASP A 36 11.598 2.632 -0.240 1.00 0.00 O ATOM 573 CB ASP A 36 12.236 -0.074 -1.972 1.00 0.00 C ATOM 574 CG ASP A 36 13.396 0.845 -2.306 1.00 0.00 C ATOM 575 OD1 ASP A 36 14.514 0.606 -1.802 1.00 0.00 O ATOM 576 OD2 ASP A 36 13.206 1.795 -3.082 1.00 0.00 O ATOM 0 H ASP A 36 10.445 -1.458 -0.979 1.00 0.00 H new ATOM 0 HA ASP A 36 12.350 0.260 0.151 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.588 -1.106 -1.952 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.486 -0.008 -2.760 1.00 0.00 H new ATOM 581 N ASP A 37 9.781 1.773 -1.241 1.00 0.00 N ATOM 582 CA ASP A 37 9.160 3.082 -1.424 1.00 0.00 C ATOM 583 C ASP A 37 8.106 3.384 -0.356 1.00 0.00 C ATOM 584 O ASP A 37 8.025 4.507 0.137 1.00 0.00 O ATOM 585 CB ASP A 37 8.547 3.195 -2.822 1.00 0.00 C ATOM 586 CG ASP A 37 9.599 3.334 -3.911 1.00 0.00 C ATOM 587 OD1 ASP A 37 10.405 4.289 -3.848 1.00 0.00 O ATOM 588 OD2 ASP A 37 9.625 2.499 -4.841 1.00 0.00 O ATOM 0 H ASP A 37 9.221 0.984 -1.564 1.00 0.00 H new ATOM 0 HA ASP A 37 9.950 3.826 -1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.938 2.313 -3.020 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.880 4.056 -2.854 1.00 0.00 H new ATOM 593 N ILE A 38 7.312 2.385 0.016 1.00 0.00 N ATOM 594 CA ILE A 38 6.213 2.589 0.965 1.00 0.00 C ATOM 595 C ILE A 38 6.721 2.752 2.398 1.00 0.00 C ATOM 596 O ILE A 38 6.234 3.610 3.136 1.00 0.00 O ATOM 597 CB ILE A 38 5.176 1.430 0.920 1.00 0.00 C ATOM 598 CG1 ILE A 38 4.250 1.556 -0.297 1.00 0.00 C ATOM 599 CG2 ILE A 38 4.346 1.384 2.198 1.00 0.00 C ATOM 600 CD1 ILE A 38 4.901 1.232 -1.625 1.00 0.00 C ATOM 0 H ILE A 38 7.405 1.427 -0.322 1.00 0.00 H new ATOM 0 HA ILE A 38 5.721 3.511 0.655 1.00 0.00 H new ATOM 0 HB ILE A 38 5.738 0.500 0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.395 0.894 -0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.862 2.574 -0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.630 0.564 2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 38 5.004 1.229 3.053 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.810 2.326 2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.171 1.348 -2.426 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.738 1.910 -1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.264 0.204 -1.611 1.00 0.00 H new ATOM 612 N LEU A 39 7.698 1.938 2.788 1.00 0.00 N ATOM 613 CA LEU A 39 8.188 1.932 4.171 1.00 0.00 C ATOM 614 C LEU A 39 8.671 3.310 4.635 1.00 0.00 C ATOM 615 O LEU A 39 8.274 3.759 5.710 1.00 0.00 O ATOM 616 CB LEU A 39 9.284 0.878 4.371 1.00 0.00 C ATOM 617 CG LEU A 39 8.808 -0.475 4.916 1.00 0.00 C ATOM 618 CD1 LEU A 39 8.669 -0.417 6.429 1.00 0.00 C ATOM 619 CD2 LEU A 39 7.482 -0.884 4.282 1.00 0.00 C ATOM 0 H LEU A 39 8.167 1.275 2.171 1.00 0.00 H new ATOM 0 HA LEU A 39 7.335 1.667 4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.781 0.710 3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.032 1.282 5.053 1.00 0.00 H new ATOM 0 HG LEU A 39 9.556 -1.225 4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.331 -1.384 6.801 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.634 -0.175 6.874 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.943 0.350 6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.167 -1.846 4.686 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.725 -0.132 4.505 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.605 -0.966 3.202 1.00 0.00 H new ATOM 631 N PRO A 40 9.523 4.009 3.850 1.00 0.00 N ATOM 632 CA PRO A 40 9.964 5.370 4.193 1.00 0.00 C ATOM 633 C PRO A 40 8.801 6.353 4.332 1.00 0.00 C ATOM 634 O PRO A 40 8.943 7.412 4.944 1.00 0.00 O ATOM 635 CB PRO A 40 10.849 5.774 3.009 1.00 0.00 C ATOM 636 CG PRO A 40 11.295 4.489 2.409 1.00 0.00 C ATOM 637 CD PRO A 40 10.154 3.537 2.600 1.00 0.00 C ATOM 0 HA PRO A 40 10.473 5.390 5.157 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.295 6.375 2.288 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.699 6.373 3.337 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.531 4.611 1.352 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.198 4.121 2.897 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.459 3.569 1.761 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.500 2.507 2.688 1.00 0.00 H new ATOM 645 N ILE A 41 7.650 6.001 3.770 1.00 0.00 N ATOM 646 CA ILE A 41 6.501 6.893 3.779 1.00 0.00 C ATOM 647 C ILE A 41 5.514 6.533 4.894 1.00 0.00 C ATOM 648 O ILE A 41 5.252 7.347 5.779 1.00 0.00 O ATOM 649 CB ILE A 41 5.760 6.879 2.421 1.00 0.00 C ATOM 650 CG1 ILE A 41 6.733 7.141 1.263 1.00 0.00 C ATOM 651 CG2 ILE A 41 4.642 7.914 2.413 1.00 0.00 C ATOM 652 CD1 ILE A 41 7.464 8.467 1.355 1.00 0.00 C ATOM 0 H ILE A 41 7.490 5.108 3.305 1.00 0.00 H new ATOM 0 HA ILE A 41 6.890 7.895 3.961 1.00 0.00 H new ATOM 0 HB ILE A 41 5.323 5.890 2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.467 6.336 1.230 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.181 7.107 0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.131 7.891 1.450 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.930 7.687 3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.063 8.906 2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.131 8.575 0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.740 9.282 1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.047 8.498 2.276 1.00 0.00 H new ATOM 664 N ILE A 42 4.972 5.315 4.856 1.00 0.00 N ATOM 665 CA ILE A 42 3.910 4.924 5.789 1.00 0.00 C ATOM 666 C ILE A 42 4.118 3.533 6.385 1.00 0.00 C ATOM 667 O ILE A 42 3.238 3.026 7.077 1.00 0.00 O ATOM 668 CB ILE A 42 2.529 4.911 5.107 1.00 0.00 C ATOM 669 CG1 ILE A 42 2.544 3.959 3.910 1.00 0.00 C ATOM 670 CG2 ILE A 42 2.124 6.309 4.679 1.00 0.00 C ATOM 671 CD1 ILE A 42 1.228 3.257 3.687 1.00 0.00 C ATOM 0 H ILE A 42 5.246 4.587 4.196 1.00 0.00 H new ATOM 0 HA ILE A 42 3.952 5.673 6.580 1.00 0.00 H new ATOM 0 HB ILE A 42 1.790 4.556 5.825 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.805 4.520 3.012 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.325 3.213 4.058 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.146 6.274 4.200 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.077 6.958 5.554 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.858 6.701 3.975 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.309 2.598 2.823 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.975 2.669 4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.447 3.996 3.507 1.00 0.00 H new ATOM 683 N GLY A 43 5.267 2.922 6.127 1.00 0.00 N ATOM 684 CA GLY A 43 5.467 1.533 6.520 1.00 0.00 C ATOM 685 C GLY A 43 5.289 1.296 8.007 1.00 0.00 C ATOM 686 O GLY A 43 4.545 0.404 8.420 1.00 0.00 O ATOM 0 H GLY A 43 6.061 3.356 5.656 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.765 0.904 5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.470 1.221 6.227 1.00 0.00 H new ATOM 690 N GLY A 44 5.951 2.114 8.813 1.00 0.00 N ATOM 691 CA GLY A 44 5.921 1.920 10.245 1.00 0.00 C ATOM 692 C GLY A 44 4.723 2.574 10.901 1.00 0.00 C ATOM 693 O GLY A 44 4.615 2.586 12.128 1.00 0.00 O ATOM 0 H GLY A 44 6.508 2.909 8.499 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.910 0.852 10.462 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.834 2.325 10.681 1.00 0.00 H new ATOM 697 N LEU A 45 3.820 3.114 10.093 1.00 0.00 N ATOM 698 CA LEU A 45 2.634 3.761 10.620 1.00 0.00 C ATOM 699 C LEU A 45 1.526 2.740 10.830 1.00 0.00 C ATOM 700 O LEU A 45 1.604 1.612 10.339 1.00 0.00 O ATOM 701 CB LEU A 45 2.158 4.860 9.667 1.00 0.00 C ATOM 702 CG LEU A 45 3.180 5.961 9.383 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.611 6.970 8.402 1.00 0.00 C ATOM 704 CD2 LEU A 45 3.597 6.653 10.671 1.00 0.00 C ATOM 0 H LEU A 45 3.889 3.115 9.075 1.00 0.00 H new ATOM 0 HA LEU A 45 2.885 4.213 11.580 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.871 4.400 8.722 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.261 5.318 10.084 1.00 0.00 H new ATOM 0 HG LEU A 45 4.063 5.502 8.939 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.350 7.748 8.210 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.361 6.468 7.467 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.712 7.420 8.823 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.325 7.433 10.446 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.722 7.099 11.144 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.044 5.924 11.347 1.00 0.00 H new ATOM 716 N GLU A 46 0.505 3.128 11.572 1.00 0.00 N ATOM 717 CA GLU A 46 -0.656 2.278 11.762 1.00 0.00 C ATOM 718 C GLU A 46 -1.605 2.442 10.590 1.00 0.00 C ATOM 719 O GLU A 46 -1.843 3.556 10.134 1.00 0.00 O ATOM 720 CB GLU A 46 -1.362 2.609 13.073 1.00 0.00 C ATOM 721 CG GLU A 46 -0.540 2.264 14.299 1.00 0.00 C ATOM 722 CD GLU A 46 -1.246 2.619 15.585 1.00 0.00 C ATOM 723 OE1 GLU A 46 -2.095 1.823 16.041 1.00 0.00 O ATOM 724 OE2 GLU A 46 -0.952 3.693 16.150 1.00 0.00 O ATOM 0 H GLU A 46 0.456 4.026 12.053 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.327 1.240 11.812 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.600 3.672 13.091 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.308 2.070 13.115 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.315 1.197 14.294 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.413 2.791 14.254 1.00 0.00 H new ATOM 731 N ILE A 47 -2.150 1.334 10.113 1.00 0.00 N ATOM 732 CA ILE A 47 -2.984 1.337 8.918 1.00 0.00 C ATOM 733 C ILE A 47 -4.232 2.206 9.112 1.00 0.00 C ATOM 734 O ILE A 47 -4.817 2.702 8.150 1.00 0.00 O ATOM 735 CB ILE A 47 -3.392 -0.103 8.531 1.00 0.00 C ATOM 736 CG1 ILE A 47 -3.883 -0.149 7.083 1.00 0.00 C ATOM 737 CG2 ILE A 47 -4.467 -0.633 9.476 1.00 0.00 C ATOM 738 CD1 ILE A 47 -4.108 -1.549 6.563 1.00 0.00 C ATOM 0 H ILE A 47 -2.029 0.414 10.537 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.395 1.764 8.107 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.514 -0.742 8.620 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.815 0.412 7.006 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.155 0.353 6.446 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.739 -1.648 9.185 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.084 -0.638 10.496 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.347 0.008 9.422 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.455 -1.502 5.531 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.173 -2.108 6.606 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.858 -2.049 7.176 1.00 0.00 H new ATOM 750 N GLN A 48 -4.620 2.399 10.364 1.00 0.00 N ATOM 751 CA GLN A 48 -5.778 3.217 10.689 1.00 0.00 C ATOM 752 C GLN A 48 -5.359 4.668 10.926 1.00 0.00 C ATOM 753 O GLN A 48 -6.192 5.575 10.950 1.00 0.00 O ATOM 754 CB GLN A 48 -6.460 2.663 11.939 1.00 0.00 C ATOM 755 CG GLN A 48 -7.749 3.377 12.301 1.00 0.00 C ATOM 756 CD GLN A 48 -8.266 2.990 13.669 1.00 0.00 C ATOM 757 OE1 GLN A 48 -8.045 1.876 14.139 1.00 0.00 O ATOM 758 NE2 GLN A 48 -8.966 3.911 14.314 1.00 0.00 N ATOM 0 H GLN A 48 -4.147 1.998 11.174 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.475 3.190 9.851 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.672 1.605 11.787 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.769 2.732 12.779 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.584 4.454 12.271 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.508 3.150 11.552 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.125 4.823 13.886 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -9.346 3.708 15.239 1.00 0.00 H new ATOM 767 N ASP A 49 -4.056 4.880 11.061 1.00 0.00 N ATOM 768 CA ASP A 49 -3.522 6.168 11.486 1.00 0.00 C ATOM 769 C ASP A 49 -2.697 6.806 10.367 1.00 0.00 C ATOM 770 O ASP A 49 -1.886 7.703 10.603 1.00 0.00 O ATOM 771 CB ASP A 49 -2.649 5.971 12.729 1.00 0.00 C ATOM 772 CG ASP A 49 -2.795 7.090 13.737 1.00 0.00 C ATOM 773 OD1 ASP A 49 -3.669 6.980 14.624 1.00 0.00 O ATOM 774 OD2 ASP A 49 -2.028 8.075 13.666 1.00 0.00 O ATOM 0 H ASP A 49 -3.345 4.171 10.881 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.352 6.833 11.722 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.910 5.025 13.204 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.605 5.897 12.425 1.00 0.00 H new ATOM 779 N ILE A 50 -2.909 6.332 9.148 1.00 0.00 N ATOM 780 CA ILE A 50 -2.194 6.850 7.989 1.00 0.00 C ATOM 781 C ILE A 50 -2.895 8.082 7.430 1.00 0.00 C ATOM 782 O ILE A 50 -4.107 8.073 7.207 1.00 0.00 O ATOM 783 CB ILE A 50 -2.064 5.782 6.881 1.00 0.00 C ATOM 784 CG1 ILE A 50 -1.234 4.600 7.381 1.00 0.00 C ATOM 785 CG2 ILE A 50 -1.441 6.378 5.625 1.00 0.00 C ATOM 786 CD1 ILE A 50 -1.141 3.460 6.393 1.00 0.00 C ATOM 0 H ILE A 50 -3.572 5.587 8.935 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.193 7.125 8.322 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.063 5.426 6.628 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.228 4.948 7.616 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.669 4.230 8.309 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.359 5.607 4.858 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.069 7.190 5.258 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.449 6.764 5.859 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.537 2.659 6.818 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.141 3.084 6.176 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.678 3.814 5.472 1.00 0.00 H new ATOM 798 N GLU A 51 -2.125 9.138 7.210 1.00 0.00 N ATOM 799 CA GLU A 51 -2.661 10.382 6.684 1.00 0.00 C ATOM 800 C GLU A 51 -2.970 10.246 5.195 1.00 0.00 C ATOM 801 O GLU A 51 -2.226 9.590 4.462 1.00 0.00 O ATOM 802 CB GLU A 51 -1.667 11.522 6.900 1.00 0.00 C ATOM 803 CG GLU A 51 -1.316 11.764 8.356 1.00 0.00 C ATOM 804 CD GLU A 51 -0.430 12.979 8.541 1.00 0.00 C ATOM 805 OE1 GLU A 51 -0.966 14.103 8.635 1.00 0.00 O ATOM 806 OE2 GLU A 51 0.805 12.815 8.597 1.00 0.00 O ATOM 0 H GLU A 51 -1.121 9.156 7.389 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.585 10.607 7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.753 11.304 6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.082 12.438 6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.233 11.895 8.931 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.811 10.885 8.756 1.00 0.00 H new ATOM 813 N PRO A 52 -4.067 10.871 4.732 1.00 0.00 N ATOM 814 CA PRO A 52 -4.470 10.838 3.323 1.00 0.00 C ATOM 815 C PRO A 52 -3.352 11.291 2.385 1.00 0.00 C ATOM 816 O PRO A 52 -3.122 10.682 1.339 1.00 0.00 O ATOM 817 CB PRO A 52 -5.653 11.816 3.249 1.00 0.00 C ATOM 818 CG PRO A 52 -5.645 12.562 4.543 1.00 0.00 C ATOM 819 CD PRO A 52 -5.014 11.645 5.548 1.00 0.00 C ATOM 0 HA PRO A 52 -4.721 9.826 3.006 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.546 12.497 2.404 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.593 11.283 3.111 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.081 13.490 4.454 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.657 12.832 4.843 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.508 12.198 6.339 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.752 11.003 6.030 1.00 0.00 H new ATOM 827 N MET A 53 -2.645 12.346 2.776 1.00 0.00 N ATOM 828 CA MET A 53 -1.574 12.895 1.949 1.00 0.00 C ATOM 829 C MET A 53 -0.351 11.980 1.947 1.00 0.00 C ATOM 830 O MET A 53 0.437 12.001 1.009 1.00 0.00 O ATOM 831 CB MET A 53 -1.185 14.296 2.427 1.00 0.00 C ATOM 832 CG MET A 53 -2.268 15.340 2.197 1.00 0.00 C ATOM 833 SD MET A 53 -1.839 16.948 2.887 1.00 0.00 S ATOM 834 CE MET A 53 -3.235 17.930 2.345 1.00 0.00 C ATOM 0 H MET A 53 -2.793 12.837 3.657 1.00 0.00 H new ATOM 0 HA MET A 53 -1.948 12.964 0.928 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.951 14.256 3.491 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.276 14.607 1.912 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.446 15.444 1.127 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.201 14.995 2.643 1.00 0.00 H new ATOM 0 HE1 MET A 53 -3.116 18.955 2.695 1.00 0.00 H new ATOM 0 HE2 MET A 53 -3.285 17.922 1.256 1.00 0.00 H new ATOM 0 HE3 MET A 53 -4.155 17.511 2.753 1.00 0.00 H new ATOM 844 N GLN A 54 -0.210 11.165 2.986 1.00 0.00 N ATOM 845 CA GLN A 54 0.909 10.233 3.072 1.00 0.00 C ATOM 846 C GLN A 54 0.714 9.067 2.122 1.00 0.00 C ATOM 847 O GLN A 54 1.661 8.601 1.494 1.00 0.00 O ATOM 848 CB GLN A 54 1.083 9.726 4.498 1.00 0.00 C ATOM 849 CG GLN A 54 1.945 10.632 5.348 1.00 0.00 C ATOM 850 CD GLN A 54 2.020 10.180 6.787 1.00 0.00 C ATOM 851 OE1 GLN A 54 1.076 9.593 7.318 1.00 0.00 O ATOM 852 NE2 GLN A 54 3.147 10.446 7.432 1.00 0.00 N ATOM 0 H GLN A 54 -0.853 11.130 3.777 1.00 0.00 H new ATOM 0 HA GLN A 54 1.813 10.768 2.782 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.103 9.625 4.964 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.527 8.731 4.472 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.951 10.668 4.929 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.547 11.646 5.310 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.905 10.934 6.955 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.257 10.162 8.406 1.00 0.00 H new ATOM 861 N LEU A 55 -0.518 8.601 2.008 1.00 0.00 N ATOM 862 CA LEU A 55 -0.829 7.551 1.056 1.00 0.00 C ATOM 863 C LEU A 55 -0.631 8.086 -0.360 1.00 0.00 C ATOM 864 O LEU A 55 -0.165 7.377 -1.254 1.00 0.00 O ATOM 865 CB LEU A 55 -2.263 7.059 1.259 1.00 0.00 C ATOM 866 CG LEU A 55 -2.626 5.770 0.517 1.00 0.00 C ATOM 867 CD1 LEU A 55 -1.685 4.641 0.915 1.00 0.00 C ATOM 868 CD2 LEU A 55 -4.069 5.384 0.803 1.00 0.00 C ATOM 0 H LEU A 55 -1.312 8.930 2.558 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.161 6.704 1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.428 6.903 2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.947 7.846 0.942 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.519 5.946 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.958 3.733 0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.660 4.916 0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.762 4.465 1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.313 4.466 0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.198 5.226 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.732 6.183 0.472 1.00 0.00 H new ATOM 880 N LEU A 56 -0.960 9.361 -0.542 1.00 0.00 N ATOM 881 CA LEU A 56 -0.746 10.039 -1.813 1.00 0.00 C ATOM 882 C LEU A 56 0.751 10.246 -2.048 1.00 0.00 C ATOM 883 O LEU A 56 1.211 10.250 -3.186 1.00 0.00 O ATOM 884 CB LEU A 56 -1.516 11.374 -1.822 1.00 0.00 C ATOM 885 CG LEU A 56 -1.509 12.180 -3.135 1.00 0.00 C ATOM 886 CD1 LEU A 56 -0.285 13.081 -3.221 1.00 0.00 C ATOM 887 CD2 LEU A 56 -1.575 11.255 -4.344 1.00 0.00 C ATOM 0 H LEU A 56 -1.378 9.947 0.180 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.126 9.425 -2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.553 11.168 -1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.106 12.006 -1.035 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.397 12.812 -3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.308 13.637 -4.158 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.288 13.780 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.618 12.472 -3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.569 11.849 -5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.713 10.588 -4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.491 10.665 -4.301 1.00 0.00 H new ATOM 899 N GLU A 57 1.507 10.396 -0.968 1.00 0.00 N ATOM 900 CA GLU A 57 2.954 10.556 -1.059 1.00 0.00 C ATOM 901 C GLU A 57 3.597 9.265 -1.568 1.00 0.00 C ATOM 902 O GLU A 57 4.615 9.298 -2.259 1.00 0.00 O ATOM 903 CB GLU A 57 3.530 10.956 0.301 1.00 0.00 C ATOM 904 CG GLU A 57 5.001 11.334 0.263 1.00 0.00 C ATOM 905 CD GLU A 57 5.469 11.977 1.553 1.00 0.00 C ATOM 906 OE1 GLU A 57 5.845 11.241 2.492 1.00 0.00 O ATOM 907 OE2 GLU A 57 5.463 13.223 1.631 1.00 0.00 O ATOM 0 H GLU A 57 1.142 10.410 -0.016 1.00 0.00 H new ATOM 0 HA GLU A 57 3.178 11.352 -1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.959 11.798 0.692 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.396 10.129 0.998 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.597 10.442 0.068 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.175 12.021 -0.565 1.00 0.00 H new ATOM 914 N VAL A 58 2.987 8.132 -1.236 1.00 0.00 N ATOM 915 CA VAL A 58 3.411 6.848 -1.781 1.00 0.00 C ATOM 916 C VAL A 58 3.206 6.830 -3.295 1.00 0.00 C ATOM 917 O VAL A 58 4.111 6.494 -4.062 1.00 0.00 O ATOM 918 CB VAL A 58 2.631 5.677 -1.146 1.00 0.00 C ATOM 919 CG1 VAL A 58 3.029 4.354 -1.787 1.00 0.00 C ATOM 920 CG2 VAL A 58 2.860 5.637 0.360 1.00 0.00 C ATOM 0 H VAL A 58 2.198 8.077 -0.592 1.00 0.00 H new ATOM 0 HA VAL A 58 4.468 6.723 -1.547 1.00 0.00 H new ATOM 0 HB VAL A 58 1.568 5.835 -1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.467 3.542 -1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.809 4.386 -2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.096 4.186 -1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.303 4.805 0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.923 5.505 0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.519 6.572 0.805 1.00 0.00 H new ATOM 930 N ILE A 59 2.009 7.216 -3.717 1.00 0.00 N ATOM 931 CA ILE A 59 1.701 7.328 -5.138 1.00 0.00 C ATOM 932 C ILE A 59 2.619 8.368 -5.794 1.00 0.00 C ATOM 933 O ILE A 59 3.097 8.172 -6.910 1.00 0.00 O ATOM 934 CB ILE A 59 0.210 7.697 -5.371 1.00 0.00 C ATOM 935 CG1 ILE A 59 -0.687 6.455 -5.308 1.00 0.00 C ATOM 936 CG2 ILE A 59 0.011 8.404 -6.703 1.00 0.00 C ATOM 937 CD1 ILE A 59 -0.721 5.779 -3.956 1.00 0.00 C ATOM 0 H ILE A 59 1.236 7.457 -3.097 1.00 0.00 H new ATOM 0 HA ILE A 59 1.875 6.355 -5.598 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.075 8.379 -4.570 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.702 6.740 -5.584 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.344 5.736 -6.052 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.044 8.647 -6.832 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.599 9.321 -6.719 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.335 7.751 -7.513 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.378 4.911 -4.000 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.285 5.459 -3.684 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.094 6.479 -3.208 1.00 0.00 H new ATOM 949 N ARG A 60 2.874 9.460 -5.072 1.00 0.00 N ATOM 950 CA ARG A 60 3.786 10.508 -5.523 1.00 0.00 C ATOM 951 C ARG A 60 5.160 9.918 -5.811 1.00 0.00 C ATOM 952 O ARG A 60 5.770 10.196 -6.844 1.00 0.00 O ATOM 953 CB ARG A 60 3.916 11.590 -4.446 1.00 0.00 C ATOM 954 CG ARG A 60 3.788 13.004 -4.977 1.00 0.00 C ATOM 955 CD ARG A 60 2.385 13.263 -5.489 1.00 0.00 C ATOM 956 NE ARG A 60 2.392 13.843 -6.824 1.00 0.00 N ATOM 957 CZ ARG A 60 1.816 13.282 -7.879 1.00 0.00 C ATOM 958 NH1 ARG A 60 1.141 12.145 -7.747 1.00 0.00 N ATOM 959 NH2 ARG A 60 1.908 13.861 -9.066 1.00 0.00 N ATOM 0 H ARG A 60 2.454 9.641 -4.160 1.00 0.00 H new ATOM 0 HA ARG A 60 3.384 10.950 -6.435 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.151 11.427 -3.687 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.882 11.484 -3.953 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.029 13.716 -4.188 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.508 13.162 -5.780 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.825 12.328 -5.503 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.867 13.935 -4.804 1.00 0.00 H new ATOM 0 HE ARG A 60 2.869 14.735 -6.956 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.064 11.701 -6.832 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.699 11.717 -8.561 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.421 14.737 -9.168 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.466 13.431 -9.879 1.00 0.00 H new ATOM 973 N ARG A 61 5.614 9.093 -4.877 1.00 0.00 N ATOM 974 CA ARG A 61 6.899 8.412 -4.959 1.00 0.00 C ATOM 975 C ARG A 61 7.059 7.680 -6.292 1.00 0.00 C ATOM 976 O ARG A 61 8.075 7.821 -6.972 1.00 0.00 O ATOM 977 CB ARG A 61 7.004 7.424 -3.796 1.00 0.00 C ATOM 978 CG ARG A 61 8.315 6.666 -3.717 1.00 0.00 C ATOM 979 CD ARG A 61 9.458 7.552 -3.257 1.00 0.00 C ATOM 980 NE ARG A 61 10.600 6.756 -2.816 1.00 0.00 N ATOM 981 CZ ARG A 61 11.455 7.140 -1.872 1.00 0.00 C ATOM 982 NH1 ARG A 61 11.329 8.334 -1.303 1.00 0.00 N ATOM 983 NH2 ARG A 61 12.438 6.336 -1.497 1.00 0.00 N ATOM 0 H ARG A 61 5.092 8.875 -4.028 1.00 0.00 H new ATOM 0 HA ARG A 61 7.697 9.152 -4.897 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.859 7.968 -2.863 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.189 6.704 -3.875 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.208 5.827 -3.030 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.552 6.248 -4.696 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.763 8.209 -4.072 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.120 8.191 -2.441 1.00 0.00 H new ATOM 0 HE ARG A 61 10.751 5.850 -3.259 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.575 8.959 -1.590 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.986 8.626 -0.579 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.541 5.419 -1.932 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.092 6.633 -0.773 1.00 0.00 H new ATOM 997 N PHE A 62 6.050 6.903 -6.667 1.00 0.00 N ATOM 998 CA PHE A 62 6.110 6.137 -7.909 1.00 0.00 C ATOM 999 C PHE A 62 5.836 7.010 -9.136 1.00 0.00 C ATOM 1000 O PHE A 62 6.540 6.905 -10.144 1.00 0.00 O ATOM 1001 CB PHE A 62 5.131 4.962 -7.873 1.00 0.00 C ATOM 1002 CG PHE A 62 5.514 3.878 -6.904 1.00 0.00 C ATOM 1003 CD1 PHE A 62 6.459 2.921 -7.250 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.927 3.807 -5.652 1.00 0.00 C ATOM 1005 CE1 PHE A 62 6.807 1.917 -6.364 1.00 0.00 C ATOM 1006 CE2 PHE A 62 5.273 2.808 -4.764 1.00 0.00 C ATOM 1007 CZ PHE A 62 6.214 1.862 -5.120 1.00 0.00 C ATOM 0 H PHE A 62 5.187 6.786 -6.136 1.00 0.00 H new ATOM 0 HA PHE A 62 7.126 5.751 -7.994 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.141 5.335 -7.612 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.057 4.533 -8.872 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.928 2.961 -8.222 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.189 4.542 -5.366 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.542 1.178 -6.646 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.807 2.766 -3.790 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.485 1.081 -4.426 1.00 0.00 H new ATOM 1017 N GLU A 63 4.826 7.876 -9.049 1.00 0.00 N ATOM 1018 CA GLU A 63 4.407 8.678 -10.199 1.00 0.00 C ATOM 1019 C GLU A 63 5.518 9.606 -10.673 1.00 0.00 C ATOM 1020 O GLU A 63 5.729 9.765 -11.875 1.00 0.00 O ATOM 1021 CB GLU A 63 3.161 9.507 -9.878 1.00 0.00 C ATOM 1022 CG GLU A 63 2.640 10.275 -11.085 1.00 0.00 C ATOM 1023 CD GLU A 63 1.506 11.225 -10.757 1.00 0.00 C ATOM 1024 OE1 GLU A 63 0.620 10.854 -9.963 1.00 0.00 O ATOM 1025 OE2 GLU A 63 1.510 12.362 -11.284 1.00 0.00 O ATOM 0 H GLU A 63 4.286 8.040 -8.200 1.00 0.00 H new ATOM 0 HA GLU A 63 4.172 7.975 -10.998 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.377 8.848 -9.506 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.393 10.210 -9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.460 10.841 -11.527 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.301 9.564 -11.839 1.00 0.00 H new ATOM 1032 N ASP A 64 6.241 10.200 -9.729 1.00 0.00 N ATOM 1033 CA ASP A 64 7.279 11.171 -10.067 1.00 0.00 C ATOM 1034 C ASP A 64 8.416 10.514 -10.844 1.00 0.00 C ATOM 1035 O ASP A 64 9.131 11.177 -11.597 1.00 0.00 O ATOM 1036 CB ASP A 64 7.823 11.853 -8.807 1.00 0.00 C ATOM 1037 CG ASP A 64 8.795 12.972 -9.134 1.00 0.00 C ATOM 1038 OD1 ASP A 64 8.357 13.998 -9.700 1.00 0.00 O ATOM 1039 OD2 ASP A 64 9.993 12.840 -8.818 1.00 0.00 O ATOM 0 H ASP A 64 6.130 10.028 -8.730 1.00 0.00 H new ATOM 0 HA ASP A 64 6.824 11.930 -10.703 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.993 12.254 -8.226 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.322 11.112 -8.182 1.00 0.00 H new ATOM 1044 N ARG A 65 8.567 9.204 -10.681 1.00 0.00 N ATOM 1045 CA ARG A 65 9.588 8.466 -11.415 1.00 0.00 C ATOM 1046 C ARG A 65 9.070 8.063 -12.794 1.00 0.00 C ATOM 1047 O ARG A 65 9.830 7.585 -13.637 1.00 0.00 O ATOM 1048 CB ARG A 65 10.043 7.224 -10.640 1.00 0.00 C ATOM 1049 CG ARG A 65 10.607 7.541 -9.267 1.00 0.00 C ATOM 1050 CD ARG A 65 11.483 6.413 -8.735 1.00 0.00 C ATOM 1051 NE ARG A 65 10.768 5.141 -8.605 1.00 0.00 N ATOM 1052 CZ ARG A 65 10.500 4.561 -7.433 1.00 0.00 C ATOM 1053 NH1 ARG A 65 10.802 5.180 -6.300 1.00 0.00 N ATOM 1054 NH2 ARG A 65 9.928 3.363 -7.389 1.00 0.00 N ATOM 0 H ARG A 65 8.000 8.635 -10.052 1.00 0.00 H new ATOM 0 HA ARG A 65 10.448 9.124 -11.538 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.198 6.545 -10.529 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.800 6.699 -11.223 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.191 8.460 -9.318 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.788 7.722 -8.572 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.335 6.277 -9.402 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.882 6.699 -7.762 1.00 0.00 H new ATOM 0 HE ARG A 65 10.458 4.673 -9.457 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.240 6.101 -6.323 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.596 4.735 -5.405 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.690 2.879 -8.255 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.727 2.927 -6.489 1.00 0.00 H new ATOM 1068 N GLY A 66 7.777 8.264 -13.023 1.00 0.00 N ATOM 1069 CA GLY A 66 7.193 7.926 -14.304 1.00 0.00 C ATOM 1070 C GLY A 66 6.483 6.593 -14.265 1.00 0.00 C ATOM 1071 O GLY A 66 5.845 6.186 -15.240 1.00 0.00 O ATOM 0 H GLY A 66 7.124 8.655 -12.344 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.489 8.704 -14.599 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.974 7.899 -15.064 1.00 0.00 H new ATOM 1075 N ALA A 67 6.580 5.918 -13.130 1.00 0.00 N ATOM 1076 CA ALA A 67 5.957 4.621 -12.959 1.00 0.00 C ATOM 1077 C ALA A 67 4.467 4.779 -12.693 1.00 0.00 C ATOM 1078 O ALA A 67 4.018 4.748 -11.547 1.00 0.00 O ATOM 1079 CB ALA A 67 6.633 3.861 -11.830 1.00 0.00 C ATOM 0 H ALA A 67 7.088 6.252 -12.311 1.00 0.00 H new ATOM 0 HA ALA A 67 6.077 4.048 -13.878 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.157 2.888 -11.710 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.688 3.722 -12.066 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.540 4.427 -10.903 1.00 0.00 H new ATOM 1085 N MET A 68 3.706 4.963 -13.761 1.00 0.00 N ATOM 1086 CA MET A 68 2.275 5.214 -13.651 1.00 0.00 C ATOM 1087 C MET A 68 1.544 3.957 -13.201 1.00 0.00 C ATOM 1088 O MET A 68 0.710 4.000 -12.295 1.00 0.00 O ATOM 1089 CB MET A 68 1.716 5.690 -14.993 1.00 0.00 C ATOM 1090 CG MET A 68 0.318 6.290 -14.915 1.00 0.00 C ATOM 1091 SD MET A 68 0.319 8.026 -14.411 1.00 0.00 S ATOM 1092 CE MET A 68 0.878 7.919 -12.710 1.00 0.00 C ATOM 0 H MET A 68 4.057 4.943 -14.719 1.00 0.00 H new ATOM 0 HA MET A 68 2.120 5.994 -12.905 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.394 6.433 -15.412 1.00 0.00 H new ATOM 0 HB3 MET A 68 1.699 4.848 -15.685 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.164 6.201 -15.888 1.00 0.00 H new ATOM 0 HG3 MET A 68 -0.280 5.713 -14.209 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.519 8.785 -12.154 1.00 0.00 H new ATOM 0 HE2 MET A 68 0.488 7.008 -12.255 1.00 0.00 H new ATOM 0 HE3 MET A 68 1.968 7.899 -12.686 1.00 0.00 H new ATOM 1102 N GLU A 69 1.880 2.838 -13.827 1.00 0.00 N ATOM 1103 CA GLU A 69 1.271 1.558 -13.495 1.00 0.00 C ATOM 1104 C GLU A 69 1.593 1.180 -12.058 1.00 0.00 C ATOM 1105 O GLU A 69 0.736 0.690 -11.328 1.00 0.00 O ATOM 1106 CB GLU A 69 1.781 0.459 -14.428 1.00 0.00 C ATOM 1107 CG GLU A 69 1.599 0.763 -15.902 1.00 0.00 C ATOM 1108 CD GLU A 69 2.163 -0.331 -16.781 1.00 0.00 C ATOM 1109 OE1 GLU A 69 3.392 -0.345 -17.002 1.00 0.00 O ATOM 1110 OE2 GLU A 69 1.383 -1.188 -17.250 1.00 0.00 O ATOM 0 H GLU A 69 2.575 2.791 -14.572 1.00 0.00 H new ATOM 0 HA GLU A 69 0.192 1.657 -13.615 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.840 0.293 -14.231 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.263 -0.471 -14.193 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.538 0.890 -16.117 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.088 1.708 -16.140 1.00 0.00 H new ATOM 1117 N ARG A 70 2.835 1.423 -11.660 1.00 0.00 N ATOM 1118 CA ARG A 70 3.303 1.065 -10.329 1.00 0.00 C ATOM 1119 C ARG A 70 2.714 1.992 -9.270 1.00 0.00 C ATOM 1120 O ARG A 70 2.444 1.564 -8.151 1.00 0.00 O ATOM 1121 CB ARG A 70 4.831 1.092 -10.291 1.00 0.00 C ATOM 1122 CG ARG A 70 5.453 0.196 -11.350 1.00 0.00 C ATOM 1123 CD ARG A 70 6.962 0.348 -11.423 1.00 0.00 C ATOM 1124 NE ARG A 70 7.488 -0.224 -12.660 1.00 0.00 N ATOM 1125 CZ ARG A 70 8.781 -0.294 -12.963 1.00 0.00 C ATOM 1126 NH1 ARG A 70 9.700 0.143 -12.110 1.00 0.00 N ATOM 1127 NH2 ARG A 70 9.154 -0.805 -14.128 1.00 0.00 N ATOM 0 H ARG A 70 3.540 1.870 -12.246 1.00 0.00 H new ATOM 0 HA ARG A 70 2.964 0.054 -10.102 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.177 2.115 -10.436 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.173 0.776 -9.305 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.205 -0.843 -11.134 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.019 0.432 -12.322 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.228 1.404 -11.365 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.422 -0.144 -10.566 1.00 0.00 H new ATOM 0 HE ARG A 70 6.820 -0.594 -13.336 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.417 0.537 -11.213 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.689 0.085 -12.352 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.451 -1.142 -14.786 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.144 -0.862 -14.367 1.00 0.00 H new ATOM 1141 N ALA A 71 2.502 3.257 -9.628 1.00 0.00 N ATOM 1142 CA ALA A 71 1.847 4.204 -8.730 1.00 0.00 C ATOM 1143 C ALA A 71 0.419 3.760 -8.453 1.00 0.00 C ATOM 1144 O ALA A 71 -0.034 3.746 -7.306 1.00 0.00 O ATOM 1145 CB ALA A 71 1.860 5.605 -9.326 1.00 0.00 C ATOM 0 H ALA A 71 2.773 3.648 -10.530 1.00 0.00 H new ATOM 0 HA ALA A 71 2.397 4.227 -7.789 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.367 6.296 -8.642 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.890 5.924 -9.484 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.332 5.600 -10.279 1.00 0.00 H new ATOM 1151 N ASN A 72 -0.280 3.379 -9.514 1.00 0.00 N ATOM 1152 CA ASN A 72 -1.638 2.867 -9.391 1.00 0.00 C ATOM 1153 C ASN A 72 -1.633 1.515 -8.693 1.00 0.00 C ATOM 1154 O ASN A 72 -2.552 1.189 -7.945 1.00 0.00 O ATOM 1155 CB ASN A 72 -2.308 2.752 -10.767 1.00 0.00 C ATOM 1156 CG ASN A 72 -2.798 4.089 -11.295 1.00 0.00 C ATOM 1157 OD1 ASN A 72 -3.939 4.478 -11.054 1.00 0.00 O ATOM 1158 ND2 ASN A 72 -1.946 4.800 -12.018 1.00 0.00 N ATOM 0 H ASN A 72 0.072 3.415 -10.471 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.213 3.572 -8.790 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.600 2.323 -11.476 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.149 2.062 -10.700 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.229 5.704 -12.396 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.007 4.443 -12.197 1.00 0.00 H new ATOM 1165 N LYS A 73 -0.579 0.739 -8.926 1.00 0.00 N ATOM 1166 CA LYS A 73 -0.442 -0.572 -8.310 1.00 0.00 C ATOM 1167 C LYS A 73 -0.211 -0.422 -6.812 1.00 0.00 C ATOM 1168 O LYS A 73 -0.659 -1.253 -6.021 1.00 0.00 O ATOM 1169 CB LYS A 73 0.711 -1.352 -8.952 1.00 0.00 C ATOM 1170 CG LYS A 73 0.734 -2.831 -8.588 1.00 0.00 C ATOM 1171 CD LYS A 73 -0.505 -3.556 -9.104 1.00 0.00 C ATOM 1172 CE LYS A 73 -0.573 -3.546 -10.625 1.00 0.00 C ATOM 1173 NZ LYS A 73 0.507 -4.362 -11.241 1.00 0.00 N ATOM 0 H LYS A 73 0.194 0.998 -9.539 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.364 -1.131 -8.471 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.643 -1.256 -10.036 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.655 -0.899 -8.650 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.628 -3.295 -9.005 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.795 -2.939 -7.505 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.499 -4.586 -8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.399 -3.083 -8.697 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.542 -3.927 -10.946 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.500 -2.519 -10.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.343 -4.438 -12.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.426 -3.907 -11.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.507 -5.313 -10.819 1.00 0.00 H new ATOM 1187 N ALA A 74 0.487 0.644 -6.428 1.00 0.00 N ATOM 1188 CA ALA A 74 0.671 0.966 -5.024 1.00 0.00 C ATOM 1189 C ALA A 74 -0.683 1.227 -4.380 1.00 0.00 C ATOM 1190 O ALA A 74 -1.043 0.577 -3.403 1.00 0.00 O ATOM 1191 CB ALA A 74 1.592 2.170 -4.857 1.00 0.00 C ATOM 0 H ALA A 74 0.933 1.297 -7.073 1.00 0.00 H new ATOM 0 HA ALA A 74 1.144 0.119 -4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.714 2.391 -3.797 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.565 1.947 -5.295 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.157 3.034 -5.360 1.00 0.00 H new ATOM 1197 N ARG A 75 -1.443 2.153 -4.968 1.00 0.00 N ATOM 1198 CA ARG A 75 -2.797 2.449 -4.508 1.00 0.00 C ATOM 1199 C ARG A 75 -3.640 1.172 -4.441 1.00 0.00 C ATOM 1200 O ARG A 75 -4.369 0.951 -3.472 1.00 0.00 O ATOM 1201 CB ARG A 75 -3.469 3.465 -5.440 1.00 0.00 C ATOM 1202 CG ARG A 75 -4.915 3.762 -5.064 1.00 0.00 C ATOM 1203 CD ARG A 75 -5.603 4.661 -6.080 1.00 0.00 C ATOM 1204 NE ARG A 75 -7.029 4.809 -5.782 1.00 0.00 N ATOM 1205 CZ ARG A 75 -7.991 4.805 -6.708 1.00 0.00 C ATOM 1206 NH1 ARG A 75 -7.684 4.820 -7.997 1.00 0.00 N ATOM 1207 NH2 ARG A 75 -9.269 4.825 -6.348 1.00 0.00 N ATOM 0 H ARG A 75 -1.140 2.711 -5.766 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.727 2.875 -3.507 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.899 4.394 -5.425 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.437 3.087 -6.462 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.466 2.825 -4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.943 4.238 -4.084 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.126 5.641 -6.083 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.480 4.244 -7.080 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.305 4.922 -4.806 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.707 4.835 -8.288 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.425 4.817 -8.698 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.520 4.844 -5.360 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.999 4.822 -7.060 1.00 0.00 H new ATOM 1221 N ARG A 76 -3.528 0.339 -5.476 1.00 0.00 N ATOM 1222 CA ARG A 76 -4.245 -0.932 -5.527 1.00 0.00 C ATOM 1223 C ARG A 76 -3.932 -1.794 -4.314 1.00 0.00 C ATOM 1224 O ARG A 76 -4.828 -2.170 -3.562 1.00 0.00 O ATOM 1225 CB ARG A 76 -3.885 -1.716 -6.790 1.00 0.00 C ATOM 1226 CG ARG A 76 -4.517 -1.191 -8.066 1.00 0.00 C ATOM 1227 CD ARG A 76 -4.184 -2.100 -9.237 1.00 0.00 C ATOM 1228 NE ARG A 76 -4.904 -1.733 -10.455 1.00 0.00 N ATOM 1229 CZ ARG A 76 -6.085 -2.245 -10.798 1.00 0.00 C ATOM 1230 NH1 ARG A 76 -6.691 -3.114 -9.993 1.00 0.00 N ATOM 1231 NH2 ARG A 76 -6.660 -1.888 -11.942 1.00 0.00 N ATOM 0 H ARG A 76 -2.945 0.524 -6.292 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.309 -0.694 -5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.801 -1.709 -6.908 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.185 -2.755 -6.654 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.598 -1.127 -7.944 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.159 -0.182 -8.268 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.112 -2.063 -9.428 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.425 -3.130 -8.973 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.478 -1.046 -11.077 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.251 -3.387 -9.114 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.595 -3.507 -10.255 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.197 -1.221 -12.559 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.564 -2.281 -12.203 1.00 0.00 H new ATOM 1245 N ARG A 77 -2.654 -2.092 -4.119 1.00 0.00 N ATOM 1246 CA ARG A 77 -2.245 -3.020 -3.078 1.00 0.00 C ATOM 1247 C ARG A 77 -2.437 -2.419 -1.692 1.00 0.00 C ATOM 1248 O ARG A 77 -2.751 -3.134 -0.747 1.00 0.00 O ATOM 1249 CB ARG A 77 -0.797 -3.455 -3.283 1.00 0.00 C ATOM 1250 CG ARG A 77 -0.577 -4.173 -4.606 1.00 0.00 C ATOM 1251 CD ARG A 77 0.838 -4.702 -4.720 1.00 0.00 C ATOM 1252 NE ARG A 77 1.821 -3.682 -4.376 1.00 0.00 N ATOM 1253 CZ ARG A 77 2.980 -3.518 -5.004 1.00 0.00 C ATOM 1254 NH1 ARG A 77 3.281 -4.257 -6.069 1.00 0.00 N ATOM 1255 NH2 ARG A 77 3.832 -2.599 -4.576 1.00 0.00 N ATOM 0 H ARG A 77 -1.886 -1.705 -4.667 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.883 -3.901 -3.148 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.150 -2.579 -3.239 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.501 -4.112 -2.465 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.284 -4.998 -4.696 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.779 -3.489 -5.431 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.960 -5.562 -4.062 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.016 -5.051 -5.737 1.00 0.00 H new ATOM 0 HE ARG A 77 1.605 -3.053 -3.603 1.00 0.00 H new ATOM 0 HH11 ARG A 77 2.620 -4.955 -6.409 1.00 0.00 H new ATOM 0 HH12 ARG A 77 4.173 -4.125 -6.546 1.00 0.00 H new ATOM 0 HH21 ARG A 77 3.597 -2.022 -3.768 1.00 0.00 H new ATOM 0 HH22 ARG A 77 4.724 -2.468 -5.054 1.00 0.00 H new ATOM 1269 N CYS A 78 -2.259 -1.111 -1.570 1.00 0.00 N ATOM 1270 CA CYS A 78 -2.528 -0.437 -0.311 1.00 0.00 C ATOM 1271 C CYS A 78 -3.996 -0.597 0.063 1.00 0.00 C ATOM 1272 O CYS A 78 -4.315 -1.011 1.175 1.00 0.00 O ATOM 1273 CB CYS A 78 -2.150 1.043 -0.384 1.00 0.00 C ATOM 1274 SG CYS A 78 -0.371 1.340 -0.517 1.00 0.00 S ATOM 0 H CYS A 78 -1.933 -0.502 -2.320 1.00 0.00 H new ATOM 0 HA CYS A 78 -1.914 -0.898 0.462 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.649 1.493 -1.242 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -2.527 1.548 0.505 1.00 0.00 H new ATOM 0 HG CYS A 78 0.012 1.137 -1.742 1.00 0.00 H new ATOM 1280 N GLY A 79 -4.887 -0.297 -0.881 1.00 0.00 N ATOM 1281 CA GLY A 79 -6.310 -0.484 -0.654 1.00 0.00 C ATOM 1282 C GLY A 79 -6.654 -1.938 -0.395 1.00 0.00 C ATOM 1283 O GLY A 79 -7.563 -2.247 0.377 1.00 0.00 O ATOM 0 H GLY A 79 -4.647 0.073 -1.801 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.625 0.121 0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.866 -0.128 -1.521 1.00 0.00 H new ATOM 1287 N GLU A 80 -5.918 -2.825 -1.047 1.00 0.00 N ATOM 1288 CA GLU A 80 -6.052 -4.261 -0.845 1.00 0.00 C ATOM 1289 C GLU A 80 -5.688 -4.644 0.595 1.00 0.00 C ATOM 1290 O GLU A 80 -6.367 -5.462 1.219 1.00 0.00 O ATOM 1291 CB GLU A 80 -5.160 -4.986 -1.861 1.00 0.00 C ATOM 1292 CG GLU A 80 -5.014 -6.480 -1.640 1.00 0.00 C ATOM 1293 CD GLU A 80 -6.298 -7.261 -1.822 1.00 0.00 C ATOM 1294 OE1 GLU A 80 -7.314 -6.671 -2.242 1.00 0.00 O ATOM 1295 OE2 GLU A 80 -6.292 -8.483 -1.537 1.00 0.00 O ATOM 0 H GLU A 80 -5.208 -2.569 -1.734 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.088 -4.561 -1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.565 -4.820 -2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.169 -4.533 -1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.265 -6.867 -2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.637 -6.652 -0.632 1.00 0.00 H new ATOM 1302 N VAL A 81 -4.625 -4.037 1.122 1.00 0.00 N ATOM 1303 CA VAL A 81 -4.223 -4.260 2.510 1.00 0.00 C ATOM 1304 C VAL A 81 -5.224 -3.609 3.467 1.00 0.00 C ATOM 1305 O VAL A 81 -5.568 -4.182 4.501 1.00 0.00 O ATOM 1306 CB VAL A 81 -2.800 -3.720 2.791 1.00 0.00 C ATOM 1307 CG1 VAL A 81 -2.418 -3.919 4.251 1.00 0.00 C ATOM 1308 CG2 VAL A 81 -1.779 -4.392 1.884 1.00 0.00 C ATOM 0 H VAL A 81 -4.028 -3.388 0.610 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.212 -5.337 2.675 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.803 -2.651 2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.414 -3.531 4.420 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.125 -3.387 4.888 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.441 -4.982 4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.786 -3.997 2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.788 -5.468 2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.031 -4.193 0.842 1.00 0.00 H new ATOM 1318 N PHE A 82 -5.699 -2.415 3.112 1.00 0.00 N ATOM 1319 CA PHE A 82 -6.749 -1.751 3.882 1.00 0.00 C ATOM 1320 C PHE A 82 -7.971 -2.653 3.993 1.00 0.00 C ATOM 1321 O PHE A 82 -8.556 -2.797 5.065 1.00 0.00 O ATOM 1322 CB PHE A 82 -7.154 -0.418 3.243 1.00 0.00 C ATOM 1323 CG PHE A 82 -6.199 0.715 3.505 1.00 0.00 C ATOM 1324 CD1 PHE A 82 -6.012 1.196 4.790 1.00 0.00 C ATOM 1325 CD2 PHE A 82 -5.499 1.307 2.467 1.00 0.00 C ATOM 1326 CE1 PHE A 82 -5.142 2.240 5.034 1.00 0.00 C ATOM 1327 CE2 PHE A 82 -4.628 2.351 2.705 1.00 0.00 C ATOM 1328 CZ PHE A 82 -4.449 2.819 3.990 1.00 0.00 C ATOM 0 H PHE A 82 -5.375 -1.890 2.300 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.351 -1.549 4.877 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.244 -0.559 2.166 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.141 -0.138 3.612 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.553 0.749 5.611 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.636 0.947 1.458 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.004 2.604 6.042 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.087 2.801 1.886 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.769 3.636 4.179 1.00 0.00 H new ATOM 1338 N ARG A 83 -8.339 -3.271 2.874 1.00 0.00 N ATOM 1339 CA ARG A 83 -9.452 -4.209 2.838 1.00 0.00 C ATOM 1340 C ARG A 83 -9.195 -5.375 3.786 1.00 0.00 C ATOM 1341 O ARG A 83 -10.077 -5.782 4.542 1.00 0.00 O ATOM 1342 CB ARG A 83 -9.650 -4.740 1.417 1.00 0.00 C ATOM 1343 CG ARG A 83 -10.842 -5.672 1.275 1.00 0.00 C ATOM 1344 CD ARG A 83 -12.153 -4.922 1.441 1.00 0.00 C ATOM 1345 NE ARG A 83 -13.301 -5.824 1.508 1.00 0.00 N ATOM 1346 CZ ARG A 83 -14.272 -5.870 0.597 1.00 0.00 C ATOM 1347 NH1 ARG A 83 -14.185 -5.159 -0.522 1.00 0.00 N ATOM 1348 NH2 ARG A 83 -15.317 -6.662 0.792 1.00 0.00 N ATOM 0 H ARG A 83 -7.877 -3.136 1.975 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.353 -3.684 3.155 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.776 -3.897 0.738 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.748 -5.268 1.107 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.817 -6.152 0.297 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.777 -6.465 2.020 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.113 -4.320 2.349 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.283 -4.232 0.607 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.363 -6.459 2.304 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.369 -4.571 -0.690 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.934 -5.202 -1.213 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.375 -7.232 1.636 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.064 -6.701 0.098 1.00 0.00 H new ATOM 1362 N TYR A 84 -7.972 -5.889 3.747 1.00 0.00 N ATOM 1363 CA TYR A 84 -7.579 -7.026 4.571 1.00 0.00 C ATOM 1364 C TYR A 84 -7.688 -6.671 6.055 1.00 0.00 C ATOM 1365 O TYR A 84 -8.117 -7.487 6.872 1.00 0.00 O ATOM 1366 CB TYR A 84 -6.145 -7.439 4.224 1.00 0.00 C ATOM 1367 CG TYR A 84 -5.808 -8.875 4.562 1.00 0.00 C ATOM 1368 CD1 TYR A 84 -6.120 -9.901 3.679 1.00 0.00 C ATOM 1369 CD2 TYR A 84 -5.175 -9.208 5.755 1.00 0.00 C ATOM 1370 CE1 TYR A 84 -5.814 -11.215 3.971 1.00 0.00 C ATOM 1371 CE2 TYR A 84 -4.862 -10.521 6.053 1.00 0.00 C ATOM 1372 CZ TYR A 84 -5.185 -11.520 5.158 1.00 0.00 C ATOM 1373 OH TYR A 84 -4.875 -12.830 5.448 1.00 0.00 O ATOM 0 H TYR A 84 -7.228 -5.532 3.147 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.249 -7.862 4.370 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.983 -7.282 3.158 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.453 -6.782 4.752 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.611 -9.666 2.746 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.924 -8.429 6.459 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.066 -11.999 3.273 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -4.367 -10.764 6.982 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.433 -12.876 6.322 1.00 0.00 H new ATOM 1383 N ALA A 85 -7.322 -5.436 6.388 1.00 0.00 N ATOM 1384 CA ALA A 85 -7.384 -4.956 7.763 1.00 0.00 C ATOM 1385 C ALA A 85 -8.826 -4.829 8.246 1.00 0.00 C ATOM 1386 O ALA A 85 -9.111 -5.024 9.428 1.00 0.00 O ATOM 1387 CB ALA A 85 -6.668 -3.623 7.891 1.00 0.00 C ATOM 0 H ALA A 85 -6.978 -4.747 5.719 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.883 -5.690 8.394 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.723 -3.278 8.923 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.623 -3.742 7.604 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.143 -2.891 7.238 1.00 0.00 H new ATOM 1393 N ILE A 86 -9.729 -4.499 7.332 1.00 0.00 N ATOM 1394 CA ILE A 86 -11.146 -4.399 7.663 1.00 0.00 C ATOM 1395 C ILE A 86 -11.737 -5.789 7.897 1.00 0.00 C ATOM 1396 O ILE A 86 -12.593 -5.977 8.763 1.00 0.00 O ATOM 1397 CB ILE A 86 -11.937 -3.670 6.548 1.00 0.00 C ATOM 1398 CG1 ILE A 86 -11.403 -2.244 6.376 1.00 0.00 C ATOM 1399 CG2 ILE A 86 -13.428 -3.646 6.867 1.00 0.00 C ATOM 1400 CD1 ILE A 86 -12.067 -1.470 5.256 1.00 0.00 C ATOM 0 H ILE A 86 -9.507 -4.296 6.357 1.00 0.00 H new ATOM 0 HA ILE A 86 -11.232 -3.814 8.578 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.801 -4.214 5.614 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.540 -1.700 7.311 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.330 -2.289 6.187 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.962 -3.129 6.070 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.799 -4.668 6.949 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.590 -3.124 7.810 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.635 -0.471 5.198 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.908 -1.989 4.311 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.136 -1.392 5.452 1.00 0.00 H new ATOM 1412 N VAL A 87 -11.253 -6.762 7.135 1.00 0.00 N ATOM 1413 CA VAL A 87 -11.722 -8.138 7.257 1.00 0.00 C ATOM 1414 C VAL A 87 -11.240 -8.771 8.561 1.00 0.00 C ATOM 1415 O VAL A 87 -11.988 -9.484 9.230 1.00 0.00 O ATOM 1416 CB VAL A 87 -11.252 -8.998 6.061 1.00 0.00 C ATOM 1417 CG1 VAL A 87 -11.702 -10.443 6.214 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -11.769 -8.419 4.754 1.00 0.00 C ATOM 0 H VAL A 87 -10.534 -6.624 6.424 1.00 0.00 H new ATOM 0 HA VAL A 87 -12.812 -8.106 7.261 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.162 -8.983 6.044 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.357 -11.024 5.359 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.282 -10.860 7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -12.790 -10.482 6.264 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -11.429 -9.037 3.923 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -12.859 -8.400 4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -11.391 -7.404 4.631 1.00 0.00 H new ATOM 1428 N THR A 88 -9.996 -8.497 8.927 1.00 0.00 N ATOM 1429 CA THR A 88 -9.425 -9.054 10.145 1.00 0.00 C ATOM 1430 C THR A 88 -9.901 -8.277 11.378 1.00 0.00 C ATOM 1431 O THR A 88 -9.649 -8.681 12.512 1.00 0.00 O ATOM 1432 CB THR A 88 -7.878 -9.074 10.086 1.00 0.00 C ATOM 1433 OG1 THR A 88 -7.335 -9.747 11.229 1.00 0.00 O ATOM 1434 CG2 THR A 88 -7.311 -7.667 10.019 1.00 0.00 C ATOM 0 H THR A 88 -9.364 -7.894 8.400 1.00 0.00 H new ATOM 0 HA THR A 88 -9.773 -10.084 10.228 1.00 0.00 H new ATOM 0 HB THR A 88 -7.596 -9.612 9.181 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.987 -9.728 11.960 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.223 -7.715 9.979 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.686 -7.166 9.126 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.617 -7.109 10.904 1.00 0.00 H new ATOM 1442 N GLY A 89 -10.594 -7.166 11.148 1.00 0.00 N ATOM 1443 CA GLY A 89 -11.140 -6.389 12.246 1.00 0.00 C ATOM 1444 C GLY A 89 -10.104 -5.517 12.931 1.00 0.00 C ATOM 1445 O GLY A 89 -10.078 -5.417 14.157 1.00 0.00 O ATOM 0 H GLY A 89 -10.787 -6.790 10.220 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.946 -5.759 11.871 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.579 -7.066 12.979 1.00 0.00 H new ATOM 1449 N ARG A 90 -9.234 -4.901 12.145 1.00 0.00 N ATOM 1450 CA ARG A 90 -8.248 -3.971 12.683 1.00 0.00 C ATOM 1451 C ARG A 90 -8.668 -2.536 12.404 1.00 0.00 C ATOM 1452 O ARG A 90 -8.485 -1.647 13.234 1.00 0.00 O ATOM 1453 CB ARG A 90 -6.866 -4.229 12.083 1.00 0.00 C ATOM 1454 CG ARG A 90 -6.168 -5.455 12.643 1.00 0.00 C ATOM 1455 CD ARG A 90 -4.811 -5.652 11.992 1.00 0.00 C ATOM 1456 NE ARG A 90 -4.027 -6.709 12.627 1.00 0.00 N ATOM 1457 CZ ARG A 90 -3.472 -7.726 11.966 1.00 0.00 C ATOM 1458 NH1 ARG A 90 -3.672 -7.870 10.662 1.00 0.00 N ATOM 1459 NH2 ARG A 90 -2.717 -8.602 12.610 1.00 0.00 N ATOM 0 H ARG A 90 -9.189 -5.027 11.134 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.193 -4.127 13.760 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.965 -4.342 11.003 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.238 -3.355 12.256 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.046 -5.348 13.721 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.786 -6.337 12.478 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.950 -5.892 10.938 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.253 -4.716 12.035 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.896 -6.667 13.638 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.254 -7.200 10.158 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.244 -8.650 10.164 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.559 -8.500 13.613 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.293 -9.379 12.104 1.00 0.00 H new ATOM 1473 N ALA A 91 -9.234 -2.321 11.228 1.00 0.00 N ATOM 1474 CA ALA A 91 -9.685 -1.000 10.825 1.00 0.00 C ATOM 1475 C ALA A 91 -11.148 -1.049 10.410 1.00 0.00 C ATOM 1476 O ALA A 91 -11.572 -1.978 9.726 1.00 0.00 O ATOM 1477 CB ALA A 91 -8.826 -0.472 9.685 1.00 0.00 C ATOM 0 H ALA A 91 -9.393 -3.050 10.532 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.586 -0.323 11.673 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.176 0.518 9.394 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.788 -0.409 10.011 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.898 -1.147 8.832 1.00 0.00 H new ATOM 1483 N LYS A 92 -11.914 -0.062 10.844 1.00 0.00 N ATOM 1484 CA LYS A 92 -13.314 0.036 10.463 1.00 0.00 C ATOM 1485 C LYS A 92 -13.442 0.958 9.258 1.00 0.00 C ATOM 1486 O LYS A 92 -14.266 0.739 8.367 1.00 0.00 O ATOM 1487 CB LYS A 92 -14.151 0.567 11.629 1.00 0.00 C ATOM 1488 CG LYS A 92 -15.639 0.628 11.335 1.00 0.00 C ATOM 1489 CD LYS A 92 -16.411 1.252 12.486 1.00 0.00 C ATOM 1490 CE LYS A 92 -17.894 1.366 12.170 1.00 0.00 C ATOM 1491 NZ LYS A 92 -18.140 2.135 10.921 1.00 0.00 N ATOM 0 H LYS A 92 -11.590 0.683 11.461 1.00 0.00 H new ATOM 0 HA LYS A 92 -13.685 -0.955 10.203 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -13.988 -0.067 12.500 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -13.800 1.565 11.891 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -15.808 1.207 10.427 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -16.015 -0.378 11.147 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -16.275 0.650 13.384 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -16.007 2.241 12.701 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -18.321 0.368 12.071 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -18.406 1.851 13.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -19.142 2.408 10.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -17.548 2.990 10.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -17.902 1.546 10.098 1.00 0.00 H new ATOM 1505 N TYR A 93 -12.602 1.985 9.240 1.00 0.00 N ATOM 1506 CA TYR A 93 -12.567 2.939 8.146 1.00 0.00 C ATOM 1507 C TYR A 93 -11.157 3.036 7.583 1.00 0.00 C ATOM 1508 O TYR A 93 -10.177 3.081 8.332 1.00 0.00 O ATOM 1509 CB TYR A 93 -13.039 4.319 8.617 1.00 0.00 C ATOM 1510 CG TYR A 93 -12.901 5.398 7.564 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -13.758 5.443 6.473 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -11.912 6.370 7.660 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -13.635 6.423 5.510 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -11.783 7.354 6.699 1.00 0.00 C ATOM 1515 CZ TYR A 93 -12.649 7.374 5.626 1.00 0.00 C ATOM 1516 OH TYR A 93 -12.538 8.356 4.669 1.00 0.00 O ATOM 0 H TYR A 93 -11.929 2.177 9.982 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.241 2.591 7.363 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -14.083 4.252 8.922 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.467 4.608 9.499 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -14.534 4.698 6.376 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.233 6.356 8.500 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.311 6.443 4.668 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.009 8.102 6.787 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.720 8.873 4.824 1.00 0.00 H new ATOM 1526 N ASN A 94 -11.064 3.060 6.266 1.00 0.00 N ATOM 1527 CA ASN A 94 -9.787 3.196 5.587 1.00 0.00 C ATOM 1528 C ASN A 94 -9.776 4.468 4.744 1.00 0.00 C ATOM 1529 O ASN A 94 -10.759 4.784 4.076 1.00 0.00 O ATOM 1530 CB ASN A 94 -9.504 1.962 4.713 1.00 0.00 C ATOM 1531 CG ASN A 94 -10.535 1.743 3.614 1.00 0.00 C ATOM 1532 OD1 ASN A 94 -11.705 2.090 3.753 1.00 0.00 O ATOM 1533 ND2 ASN A 94 -10.104 1.153 2.509 1.00 0.00 N ATOM 0 H ASN A 94 -11.866 2.986 5.640 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.998 3.267 6.336 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.519 2.067 4.259 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.470 1.077 5.349 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -10.751 0.974 1.741 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.125 0.878 2.426 1.00 0.00 H new ATOM 1540 N PRO A 95 -8.670 5.223 4.770 1.00 0.00 N ATOM 1541 CA PRO A 95 -8.549 6.485 4.029 1.00 0.00 C ATOM 1542 C PRO A 95 -8.336 6.281 2.526 1.00 0.00 C ATOM 1543 O PRO A 95 -7.675 7.083 1.865 1.00 0.00 O ATOM 1544 CB PRO A 95 -7.323 7.143 4.661 1.00 0.00 C ATOM 1545 CG PRO A 95 -6.496 6.013 5.167 1.00 0.00 C ATOM 1546 CD PRO A 95 -7.454 4.916 5.545 1.00 0.00 C ATOM 0 HA PRO A 95 -9.459 7.081 4.096 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -6.774 7.738 3.931 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -7.609 7.816 5.470 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -5.797 5.671 4.403 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.902 6.322 6.027 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -7.056 3.933 5.291 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -7.654 4.912 6.617 1.00 0.00 H new ATOM 1554 N ALA A 96 -8.921 5.218 1.986 1.00 0.00 N ATOM 1555 CA ALA A 96 -8.832 4.933 0.557 1.00 0.00 C ATOM 1556 C ALA A 96 -9.545 6.011 -0.279 1.00 0.00 C ATOM 1557 O ALA A 96 -8.993 6.475 -1.277 1.00 0.00 O ATOM 1558 CB ALA A 96 -9.384 3.546 0.247 1.00 0.00 C ATOM 0 H ALA A 96 -9.464 4.537 2.517 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.778 4.950 0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.308 3.355 -0.823 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.810 2.796 0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.429 3.494 0.551 1.00 0.00 H new ATOM 1564 N PRO A 97 -10.782 6.422 0.095 1.00 0.00 N ATOM 1565 CA PRO A 97 -11.460 7.549 -0.564 1.00 0.00 C ATOM 1566 C PRO A 97 -10.694 8.861 -0.392 1.00 0.00 C ATOM 1567 O PRO A 97 -10.683 9.711 -1.284 1.00 0.00 O ATOM 1568 CB PRO A 97 -12.821 7.628 0.141 1.00 0.00 C ATOM 1569 CG PRO A 97 -12.640 6.893 1.423 1.00 0.00 C ATOM 1570 CD PRO A 97 -11.641 5.815 1.133 1.00 0.00 C ATOM 0 HA PRO A 97 -11.539 7.398 -1.641 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.113 8.663 0.318 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.605 7.175 -0.465 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.282 7.558 2.209 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.583 6.470 1.769 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.070 5.546 2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -12.123 4.905 0.776 1.00 0.00 H new ATOM 1578 N ASP A 98 -10.037 9.009 0.757 1.00 0.00 N ATOM 1579 CA ASP A 98 -9.259 10.210 1.050 1.00 0.00 C ATOM 1580 C ASP A 98 -8.061 10.306 0.118 1.00 0.00 C ATOM 1581 O ASP A 98 -7.641 11.398 -0.258 1.00 0.00 O ATOM 1582 CB ASP A 98 -8.791 10.221 2.506 1.00 0.00 C ATOM 1583 CG ASP A 98 -9.943 10.298 3.486 1.00 0.00 C ATOM 1584 OD1 ASP A 98 -10.628 11.343 3.522 1.00 0.00 O ATOM 1585 OD2 ASP A 98 -10.169 9.318 4.225 1.00 0.00 O ATOM 0 H ASP A 98 -10.028 8.311 1.501 1.00 0.00 H new ATOM 0 HA ASP A 98 -9.904 11.074 0.891 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.210 9.320 2.704 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.127 11.071 2.664 1.00 0.00 H new ATOM 1590 N LEU A 99 -7.521 9.150 -0.249 1.00 0.00 N ATOM 1591 CA LEU A 99 -6.436 9.074 -1.221 1.00 0.00 C ATOM 1592 C LEU A 99 -6.857 9.753 -2.522 1.00 0.00 C ATOM 1593 O LEU A 99 -6.110 10.552 -3.091 1.00 0.00 O ATOM 1594 CB LEU A 99 -6.064 7.599 -1.463 1.00 0.00 C ATOM 1595 CG LEU A 99 -4.877 7.319 -2.404 1.00 0.00 C ATOM 1596 CD1 LEU A 99 -5.288 7.415 -3.866 1.00 0.00 C ATOM 1597 CD2 LEU A 99 -3.729 8.271 -2.115 1.00 0.00 C ATOM 0 H LEU A 99 -7.820 8.245 0.115 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.559 9.593 -0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.845 7.143 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.941 7.091 -1.864 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.543 6.298 -2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.425 7.212 -4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.071 6.685 -4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.663 8.417 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.900 8.057 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.062 9.298 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.400 8.142 -1.084 1.00 0.00 H new ATOM 1609 N ALA A 100 -8.063 9.437 -2.977 1.00 0.00 N ATOM 1610 CA ALA A 100 -8.588 10.004 -4.209 1.00 0.00 C ATOM 1611 C ALA A 100 -8.786 11.506 -4.067 1.00 0.00 C ATOM 1612 O ALA A 100 -8.476 12.275 -4.979 1.00 0.00 O ATOM 1613 CB ALA A 100 -9.893 9.324 -4.593 1.00 0.00 C ATOM 0 H ALA A 100 -8.696 8.789 -2.508 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.863 9.831 -5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.272 9.760 -5.517 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.718 8.258 -4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.625 9.466 -3.798 1.00 0.00 H new ATOM 1619 N ASP A 101 -9.283 11.921 -2.910 1.00 0.00 N ATOM 1620 CA ASP A 101 -9.528 13.334 -2.645 1.00 0.00 C ATOM 1621 C ASP A 101 -8.217 14.110 -2.583 1.00 0.00 C ATOM 1622 O ASP A 101 -8.120 15.227 -3.094 1.00 0.00 O ATOM 1623 CB ASP A 101 -10.302 13.508 -1.336 1.00 0.00 C ATOM 1624 CG ASP A 101 -10.721 14.945 -1.107 1.00 0.00 C ATOM 1625 OD1 ASP A 101 -11.754 15.366 -1.674 1.00 0.00 O ATOM 1626 OD2 ASP A 101 -10.021 15.663 -0.369 1.00 0.00 O ATOM 0 H ASP A 101 -9.525 11.299 -2.138 1.00 0.00 H new ATOM 0 HA ASP A 101 -10.127 13.731 -3.464 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.187 12.871 -1.351 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.683 13.174 -0.503 1.00 0.00 H new ATOM 1631 N ALA A 102 -7.211 13.510 -1.965 1.00 0.00 N ATOM 1632 CA ALA A 102 -5.895 14.130 -1.851 1.00 0.00 C ATOM 1633 C ALA A 102 -5.227 14.246 -3.215 1.00 0.00 C ATOM 1634 O ALA A 102 -4.627 15.270 -3.535 1.00 0.00 O ATOM 1635 CB ALA A 102 -5.014 13.341 -0.895 1.00 0.00 C ATOM 0 H ALA A 102 -7.280 12.589 -1.532 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.029 15.135 -1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.037 13.818 -0.823 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -5.479 13.315 0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.894 12.323 -1.267 1.00 0.00 H new ATOM 1641 N MET A 103 -5.346 13.201 -4.024 1.00 0.00 N ATOM 1642 CA MET A 103 -4.773 13.201 -5.368 1.00 0.00 C ATOM 1643 C MET A 103 -5.462 14.252 -6.240 1.00 0.00 C ATOM 1644 O MET A 103 -4.826 14.913 -7.062 1.00 0.00 O ATOM 1645 CB MET A 103 -4.916 11.815 -6.003 1.00 0.00 C ATOM 1646 CG MET A 103 -4.222 11.680 -7.351 1.00 0.00 C ATOM 1647 SD MET A 103 -4.579 10.109 -8.162 1.00 0.00 S ATOM 1648 CE MET A 103 -3.837 8.953 -7.012 1.00 0.00 C ATOM 0 H MET A 103 -5.834 12.341 -3.775 1.00 0.00 H new ATOM 0 HA MET A 103 -3.714 13.448 -5.295 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.509 11.069 -5.320 1.00 0.00 H new ATOM 0 HB3 MET A 103 -5.975 11.590 -6.127 1.00 0.00 H new ATOM 0 HG2 MET A 103 -4.534 12.498 -8.000 1.00 0.00 H new ATOM 0 HG3 MET A 103 -3.145 11.776 -7.212 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.277 8.198 -7.565 1.00 0.00 H new ATOM 0 HE2 MET A 103 -3.162 9.488 -6.343 1.00 0.00 H new ATOM 0 HE3 MET A 103 -4.619 8.469 -6.427 1.00 0.00 H new ATOM 1658 N LYS A 104 -6.763 14.395 -6.041 1.00 0.00 N ATOM 1659 CA LYS A 104 -7.564 15.384 -6.753 1.00 0.00 C ATOM 1660 C LYS A 104 -7.223 16.801 -6.299 1.00 0.00 C ATOM 1661 O LYS A 104 -7.045 17.711 -7.114 1.00 0.00 O ATOM 1662 CB LYS A 104 -9.045 15.098 -6.504 1.00 0.00 C ATOM 1663 CG LYS A 104 -9.986 16.189 -6.987 1.00 0.00 C ATOM 1664 CD LYS A 104 -11.366 16.017 -6.374 1.00 0.00 C ATOM 1665 CE LYS A 104 -11.292 16.041 -4.854 1.00 0.00 C ATOM 1666 NZ LYS A 104 -12.575 15.641 -4.223 1.00 0.00 N ATOM 0 H LYS A 104 -7.296 13.829 -5.381 1.00 0.00 H new ATOM 0 HA LYS A 104 -7.344 15.313 -7.818 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -9.310 14.163 -6.997 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -9.199 14.950 -5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.584 17.167 -6.722 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.059 16.158 -8.074 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -12.025 16.812 -6.723 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.801 15.074 -6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.500 15.370 -4.520 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.022 17.043 -4.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.445 15.557 -3.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -13.299 16.360 -4.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -12.881 14.725 -4.609 1.00 0.00 H new ATOM 1680 N GLY A 105 -7.133 16.978 -4.990 1.00 0.00 N ATOM 1681 CA GLY A 105 -6.885 18.290 -4.423 1.00 0.00 C ATOM 1682 C GLY A 105 -5.440 18.726 -4.556 1.00 0.00 C ATOM 1683 O GLY A 105 -5.120 19.897 -4.360 1.00 0.00 O ATOM 0 H GLY A 105 -7.228 16.230 -4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.527 19.020 -4.916 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -7.162 18.283 -3.369 1.00 0.00 H new ATOM 1687 N TYR A 106 -4.567 17.786 -4.904 1.00 0.00 N ATOM 1688 CA TYR A 106 -3.147 18.075 -5.057 1.00 0.00 C ATOM 1689 C TYR A 106 -2.909 19.052 -6.211 1.00 0.00 C ATOM 1690 O TYR A 106 -1.890 19.746 -6.253 1.00 0.00 O ATOM 1691 CB TYR A 106 -2.359 16.778 -5.282 1.00 0.00 C ATOM 1692 CG TYR A 106 -0.867 16.988 -5.394 1.00 0.00 C ATOM 1693 CD1 TYR A 106 -0.088 17.209 -4.264 1.00 0.00 C ATOM 1694 CD2 TYR A 106 -0.240 16.982 -6.632 1.00 0.00 C ATOM 1695 CE1 TYR A 106 1.273 17.421 -4.368 1.00 0.00 C ATOM 1696 CE2 TYR A 106 1.117 17.187 -6.743 1.00 0.00 C ATOM 1697 CZ TYR A 106 1.870 17.407 -5.611 1.00 0.00 C ATOM 1698 OH TYR A 106 3.222 17.632 -5.728 1.00 0.00 O ATOM 0 H TYR A 106 -4.820 16.815 -5.086 1.00 0.00 H new ATOM 0 HA TYR A 106 -2.794 18.543 -4.138 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.560 16.093 -4.458 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -2.719 16.297 -6.192 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.554 17.215 -3.290 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -0.826 16.814 -7.523 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.865 17.596 -3.482 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.589 17.175 -7.714 1.00 0.00 H new ATOM 0 HH TYR A 106 3.374 18.450 -6.246 1.00 0.00 H new ATOM 1708 N ARG A 107 -3.868 19.130 -7.131 1.00 0.00 N ATOM 1709 CA ARG A 107 -3.767 20.041 -8.267 1.00 0.00 C ATOM 1710 C ARG A 107 -3.942 21.497 -7.834 1.00 0.00 C ATOM 1711 O ARG A 107 -3.884 22.409 -8.655 1.00 0.00 O ATOM 1712 CB ARG A 107 -4.794 19.683 -9.344 1.00 0.00 C ATOM 1713 CG ARG A 107 -4.428 18.442 -10.142 1.00 0.00 C ATOM 1714 CD ARG A 107 -5.411 18.196 -11.275 1.00 0.00 C ATOM 1715 NE ARG A 107 -6.719 17.760 -10.787 1.00 0.00 N ATOM 1716 CZ ARG A 107 -7.879 18.284 -11.185 1.00 0.00 C ATOM 1717 NH1 ARG A 107 -7.898 19.307 -12.032 1.00 0.00 N ATOM 1718 NH2 ARG A 107 -9.026 17.796 -10.726 1.00 0.00 N ATOM 0 H ARG A 107 -4.723 18.574 -7.111 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.767 19.931 -8.686 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.765 19.529 -8.872 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.902 20.526 -10.027 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.423 18.554 -10.549 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -4.410 17.576 -9.481 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -5.528 19.110 -11.857 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -5.006 17.440 -11.948 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.746 17.008 -10.099 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -7.022 19.696 -12.382 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.788 19.704 -12.333 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -9.022 17.018 -10.067 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.911 18.200 -11.033 1.00 0.00 H new ATOM 1732 N LYS A 108 -4.163 21.709 -6.542 1.00 0.00 N ATOM 1733 CA LYS A 108 -4.221 23.055 -5.994 1.00 0.00 C ATOM 1734 C LYS A 108 -2.846 23.480 -5.486 1.00 0.00 C ATOM 1735 O LYS A 108 -2.637 24.636 -5.116 1.00 0.00 O ATOM 1736 CB LYS A 108 -5.262 23.146 -4.878 1.00 0.00 C ATOM 1737 CG LYS A 108 -6.688 22.960 -5.372 1.00 0.00 C ATOM 1738 CD LYS A 108 -7.700 23.224 -4.272 1.00 0.00 C ATOM 1739 CE LYS A 108 -9.122 23.224 -4.811 1.00 0.00 C ATOM 1740 NZ LYS A 108 -9.546 21.885 -5.300 1.00 0.00 N ATOM 0 H LYS A 108 -4.304 20.967 -5.857 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.522 23.736 -6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.044 22.390 -4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.177 24.117 -4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -6.875 23.634 -6.208 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.814 21.944 -5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.603 22.463 -3.497 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -7.487 24.185 -3.804 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.804 23.554 -4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -9.199 23.945 -5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -10.521 21.939 -5.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -8.913 21.579 -6.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.500 21.200 -4.519 1.00 0.00 H new ATOM 1754 N LYS A 109 -1.913 22.534 -5.466 1.00 0.00 N ATOM 1755 CA LYS A 109 -0.525 22.834 -5.152 1.00 0.00 C ATOM 1756 C LYS A 109 0.276 22.901 -6.445 1.00 0.00 C ATOM 1757 O LYS A 109 1.005 23.862 -6.692 1.00 0.00 O ATOM 1758 CB LYS A 109 0.073 21.778 -4.218 1.00 0.00 C ATOM 1759 CG LYS A 109 1.516 22.065 -3.843 1.00 0.00 C ATOM 1760 CD LYS A 109 2.082 21.005 -2.912 1.00 0.00 C ATOM 1761 CE LYS A 109 3.534 21.299 -2.567 1.00 0.00 C ATOM 1762 NZ LYS A 109 4.090 20.318 -1.600 1.00 0.00 N ATOM 0 H LYS A 109 -2.096 21.550 -5.665 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.482 23.795 -4.639 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.528 21.722 -3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.016 20.802 -4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.123 22.115 -4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.579 23.041 -3.362 1.00 0.00 H new ATOM 0 HD2 LYS A 109 1.489 20.965 -1.998 1.00 0.00 H new ATOM 0 HD3 LYS A 109 2.008 20.025 -3.384 1.00 0.00 H new ATOM 0 HE2 LYS A 109 4.132 21.287 -3.478 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.610 22.303 -2.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.081 20.557 -1.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.537 20.346 -0.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 4.042 19.363 -2.008 1.00 0.00 H new ATOM 1776 N ASN A 110 0.136 21.869 -7.266 1.00 0.00 N ATOM 1777 CA ASN A 110 0.721 21.873 -8.600 1.00 0.00 C ATOM 1778 C ASN A 110 -0.214 22.597 -9.551 1.00 0.00 C ATOM 1779 O ASN A 110 -1.097 21.987 -10.156 1.00 0.00 O ATOM 1780 CB ASN A 110 0.993 20.448 -9.100 1.00 0.00 C ATOM 1781 CG ASN A 110 2.220 19.818 -8.462 1.00 0.00 C ATOM 1782 OD1 ASN A 110 2.591 20.139 -7.333 1.00 0.00 O ATOM 1783 ND2 ASN A 110 2.855 18.904 -9.178 1.00 0.00 N ATOM 0 H ASN A 110 -0.377 21.019 -7.032 1.00 0.00 H new ATOM 0 HA ASN A 110 1.679 22.391 -8.558 1.00 0.00 H new ATOM 0 HB2 ASN A 110 0.123 19.825 -8.894 1.00 0.00 H new ATOM 0 HB3 ASN A 110 1.123 20.467 -10.182 1.00 0.00 H new ATOM 0 HD21 ASN A 110 3.680 18.441 -8.797 1.00 0.00 H new ATOM 0 HD22 ASN A 110 2.519 18.663 -10.110 1.00 0.00 H new ATOM 1790 N LEU A 111 -0.030 23.905 -9.644 1.00 0.00 N ATOM 1791 CA LEU A 111 -0.944 24.763 -10.383 1.00 0.00 C ATOM 1792 C LEU A 111 -0.851 24.550 -11.886 1.00 0.00 C ATOM 1793 O LEU A 111 0.099 23.951 -12.394 1.00 0.00 O ATOM 1794 CB LEU A 111 -0.677 26.235 -10.062 1.00 0.00 C ATOM 1795 CG LEU A 111 -0.923 26.640 -8.608 1.00 0.00 C ATOM 1796 CD1 LEU A 111 -0.696 28.134 -8.426 1.00 0.00 C ATOM 1797 CD2 LEU A 111 -2.332 26.261 -8.179 1.00 0.00 C ATOM 0 H LEU A 111 0.751 24.399 -9.213 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.951 24.492 -10.067 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.358 26.464 -10.316 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.306 26.850 -10.705 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.215 26.103 -7.977 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.875 28.405 -7.386 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.331 28.381 -8.693 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.381 28.687 -9.068 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -2.489 26.557 -7.142 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.056 26.771 -8.815 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.463 25.183 -8.272 1.00 0.00 H new ATOM 1809 N GLU A 112 -1.853 25.056 -12.585 1.00 0.00 N ATOM 1810 CA GLU A 112 -1.905 24.993 -14.035 1.00 0.00 C ATOM 1811 C GLU A 112 -1.219 26.224 -14.623 1.00 0.00 C ATOM 1812 O GLU A 112 -0.628 27.018 -13.891 1.00 0.00 O ATOM 1813 CB GLU A 112 -3.365 24.941 -14.490 1.00 0.00 C ATOM 1814 CG GLU A 112 -4.192 23.893 -13.762 1.00 0.00 C ATOM 1815 CD GLU A 112 -5.674 24.017 -14.046 1.00 0.00 C ATOM 1816 OE1 GLU A 112 -6.262 25.068 -13.705 1.00 0.00 O ATOM 1817 OE2 GLU A 112 -6.264 23.054 -14.589 1.00 0.00 O ATOM 0 H GLU A 112 -2.655 25.523 -12.162 1.00 0.00 H new ATOM 0 HA GLU A 112 -1.390 24.097 -14.382 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -3.819 25.920 -14.338 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -3.396 24.737 -15.560 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.852 22.900 -14.055 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.023 23.984 -12.689 1.00 0.00 H new ATOM 1824 N HIS A 113 -1.303 26.388 -15.932 1.00 0.00 N ATOM 1825 CA HIS A 113 -0.757 27.570 -16.588 1.00 0.00 C ATOM 1826 C HIS A 113 -1.894 28.501 -16.982 1.00 0.00 C ATOM 1827 O HIS A 113 -1.706 29.703 -17.182 1.00 0.00 O ATOM 1828 CB HIS A 113 0.079 27.170 -17.806 1.00 0.00 C ATOM 1829 CG HIS A 113 1.311 26.397 -17.439 1.00 0.00 C ATOM 1830 ND1 HIS A 113 1.333 25.024 -17.303 1.00 0.00 N ATOM 1831 CD2 HIS A 113 2.567 26.817 -17.161 1.00 0.00 C ATOM 1832 CE1 HIS A 113 2.546 24.638 -16.954 1.00 0.00 C ATOM 1833 NE2 HIS A 113 3.313 25.706 -16.861 1.00 0.00 N ATOM 0 H HIS A 113 -1.743 25.719 -16.564 1.00 0.00 H new ATOM 0 HA HIS A 113 -0.099 28.096 -15.896 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -0.533 26.570 -18.480 1.00 0.00 H new ATOM 0 HB3 HIS A 113 0.369 28.068 -18.352 1.00 0.00 H new ATOM 0 HD2 HIS A 113 2.917 27.839 -17.173 1.00 0.00 H new ATOM 0 HE1 HIS A 113 2.857 23.619 -16.775 1.00 0.00 H new ATOM 0 HE2 HIS A 113 4.301 25.706 -16.607 1.00 0.00 H new ATOM 1842 N HIS A 114 -3.074 27.914 -17.101 1.00 0.00 N ATOM 1843 CA HIS A 114 -4.318 28.649 -17.265 1.00 0.00 C ATOM 1844 C HIS A 114 -5.393 27.950 -16.457 1.00 0.00 C ATOM 1845 O HIS A 114 -5.362 26.730 -16.316 1.00 0.00 O ATOM 1846 CB HIS A 114 -4.737 28.728 -18.734 1.00 0.00 C ATOM 1847 CG HIS A 114 -4.030 29.794 -19.510 1.00 0.00 C ATOM 1848 ND1 HIS A 114 -3.049 29.527 -20.439 1.00 0.00 N ATOM 1849 CD2 HIS A 114 -4.184 31.139 -19.504 1.00 0.00 C ATOM 1850 CE1 HIS A 114 -2.632 30.660 -20.971 1.00 0.00 C ATOM 1851 NE2 HIS A 114 -3.306 31.650 -20.422 1.00 0.00 N ATOM 0 H HIS A 114 -3.196 26.901 -17.086 1.00 0.00 H new ATOM 0 HA HIS A 114 -4.175 29.671 -16.914 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -4.551 27.764 -19.207 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -5.811 28.906 -18.786 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -4.871 31.703 -18.890 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -1.868 30.759 -21.728 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -3.192 32.639 -20.645 1.00 0.00 H new ATOM 1860 N HIS A 115 -6.332 28.705 -15.923 1.00 0.00 N ATOM 1861 CA HIS A 115 -7.348 28.123 -15.064 1.00 0.00 C ATOM 1862 C HIS A 115 -8.687 28.025 -15.773 1.00 0.00 C ATOM 1863 O HIS A 115 -8.851 28.487 -16.901 1.00 0.00 O ATOM 1864 CB HIS A 115 -7.493 28.914 -13.765 1.00 0.00 C ATOM 1865 CG HIS A 115 -6.394 28.654 -12.784 1.00 0.00 C ATOM 1866 ND1 HIS A 115 -5.800 27.421 -12.629 1.00 0.00 N ATOM 1867 CD2 HIS A 115 -5.787 29.474 -11.896 1.00 0.00 C ATOM 1868 CE1 HIS A 115 -4.881 27.494 -11.688 1.00 0.00 C ATOM 1869 NE2 HIS A 115 -4.852 28.729 -11.222 1.00 0.00 N ATOM 0 H HIS A 115 -6.414 29.712 -16.065 1.00 0.00 H new ATOM 0 HA HIS A 115 -7.020 27.113 -14.818 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.518 29.979 -13.998 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -8.449 28.667 -13.303 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -6.035 26.582 -13.160 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -5.999 30.522 -11.745 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -4.256 26.680 -11.354 1.00 0.00 H new ATOM 1878 N HIS A 116 -9.646 27.428 -15.086 1.00 0.00 N ATOM 1879 CA HIS A 116 -10.959 27.175 -15.656 1.00 0.00 C ATOM 1880 C HIS A 116 -11.920 28.281 -15.243 1.00 0.00 C ATOM 1881 O HIS A 116 -13.083 28.297 -15.647 1.00 0.00 O ATOM 1882 CB HIS A 116 -11.482 25.808 -15.190 1.00 0.00 C ATOM 1883 CG HIS A 116 -10.497 24.690 -15.385 1.00 0.00 C ATOM 1884 ND1 HIS A 116 -10.657 23.689 -16.316 1.00 0.00 N ATOM 1885 CD2 HIS A 116 -9.326 24.430 -14.758 1.00 0.00 C ATOM 1886 CE1 HIS A 116 -9.623 22.866 -16.253 1.00 0.00 C ATOM 1887 NE2 HIS A 116 -8.801 23.297 -15.316 1.00 0.00 N ATOM 0 H HIS A 116 -9.538 27.107 -14.124 1.00 0.00 H new ATOM 0 HA HIS A 116 -10.882 27.163 -16.743 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -11.745 25.869 -14.134 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -12.397 25.574 -15.733 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -8.886 25.012 -13.962 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -9.477 21.989 -16.866 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -7.919 22.858 -15.051 1.00 0.00 H new ATOM 1896 N HIS A 117 -11.417 29.201 -14.427 1.00 0.00 N ATOM 1897 CA HIS A 117 -12.193 30.350 -13.969 1.00 0.00 C ATOM 1898 C HIS A 117 -11.489 31.638 -14.373 1.00 0.00 C ATOM 1899 O HIS A 117 -10.344 31.606 -14.827 1.00 0.00 O ATOM 1900 CB HIS A 117 -12.372 30.330 -12.444 1.00 0.00 C ATOM 1901 CG HIS A 117 -13.166 29.171 -11.924 1.00 0.00 C ATOM 1902 ND1 HIS A 117 -13.083 28.727 -10.624 1.00 0.00 N ATOM 1903 CD2 HIS A 117 -14.061 28.360 -12.538 1.00 0.00 C ATOM 1904 CE1 HIS A 117 -13.884 27.691 -10.463 1.00 0.00 C ATOM 1905 NE2 HIS A 117 -14.490 27.450 -11.608 1.00 0.00 N ATOM 0 H HIS A 117 -10.464 29.173 -14.065 1.00 0.00 H new ATOM 0 HA HIS A 117 -13.178 30.298 -14.434 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -11.388 30.318 -11.976 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -12.860 31.255 -12.137 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -14.377 28.420 -13.569 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -14.020 27.135 -9.547 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -15.168 26.707 -11.775 1.00 0.00 H new ATOM 1914 N HIS A 118 -12.172 32.761 -14.214 1.00 0.00 N ATOM 1915 CA HIS A 118 -11.594 34.065 -14.518 1.00 0.00 C ATOM 1916 C HIS A 118 -11.808 35.018 -13.354 1.00 0.00 C ATOM 1917 O HIS A 118 -10.858 35.232 -12.570 1.00 0.00 O ATOM 1918 CB HIS A 118 -12.197 34.654 -15.799 1.00 0.00 C ATOM 1919 CG HIS A 118 -11.658 34.036 -17.051 1.00 0.00 C ATOM 1920 ND1 HIS A 118 -10.760 34.673 -17.876 1.00 0.00 N ATOM 1921 CD2 HIS A 118 -11.878 32.822 -17.606 1.00 0.00 C ATOM 1922 CE1 HIS A 118 -10.449 33.877 -18.880 1.00 0.00 C ATOM 1923 NE2 HIS A 118 -11.112 32.746 -18.740 1.00 0.00 N ATOM 1924 OXT HIS A 118 -12.935 35.525 -13.205 1.00 0.00 O ATOM 0 H HIS A 118 -13.133 32.797 -13.874 1.00 0.00 H new ATOM 0 HA HIS A 118 -10.524 33.930 -14.678 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -13.279 34.523 -15.775 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -12.006 35.727 -15.821 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -12.536 32.054 -17.226 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -9.766 34.112 -19.683 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -11.063 31.946 -19.371 1.00 0.00 H new TER 1933 HIS A 118