USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 638 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 61 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 65 LYS NZ :NH3+ -141:sc= 1.01 (180deg=0.215) USER MOD Set 2.1: A 50 LYS NZ :NH3+ -173:sc= 0.287 (180deg=0) USER MOD Set 2.2: A 51 TYR OH : rot 180:sc= 0.269 USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.022 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0.0156 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.283 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 13 GLN : amide:sc= 0.6 K(o=0.6,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 1.13 K(o=1.1,f=-0.76) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot -136:sc= 1.25 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 HIS : no HD1:sc=-0.00859 X(o=-0.0086,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc=-0.00465 X(o=-0.0046,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 143:sc= 1.56 (180deg=0.391) USER MOD Single : A 60 GLN : amide:sc= 0.908 K(o=0.91,f=-0.036) USER MOD Single : A 66 CYS SG : rot 180:sc= -0.944 USER MOD Single : A 67 THR OG1 : rot -30:sc= 0.00649 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 77 LYS NZ :NH3+ 179:sc= 1.27 (180deg=1.26) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.459 -21.107 5.157 1.00 0.00 N ATOM 2 CA GLY A 1 12.621 -21.940 6.049 1.00 0.00 C ATOM 3 C GLY A 1 12.724 -23.416 5.697 1.00 0.00 C ATOM 4 O GLY A 1 13.770 -23.883 5.244 1.00 0.00 O ATOM 0 H1 GLY A 1 14.021 -20.444 5.728 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.097 -21.719 4.609 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.849 -20.572 4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.929 -21.790 7.084 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.582 -21.620 5.976 1.00 0.00 H new ATOM 10 N SER A 2 11.639 -24.170 5.909 1.00 0.00 N ATOM 11 CA SER A 2 11.569 -25.634 5.709 1.00 0.00 C ATOM 12 C SER A 2 11.537 -26.090 4.236 1.00 0.00 C ATOM 13 O SER A 2 11.701 -27.279 3.956 1.00 0.00 O ATOM 14 CB SER A 2 10.331 -26.193 6.425 1.00 0.00 C ATOM 15 OG SER A 2 10.316 -25.795 7.790 1.00 0.00 O ATOM 0 H SER A 2 10.757 -23.773 6.234 1.00 0.00 H new ATOM 0 HA SER A 2 12.495 -26.026 6.129 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.427 -25.840 5.928 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.327 -27.281 6.358 1.00 0.00 H new ATOM 0 HG SER A 2 9.519 -26.160 8.228 1.00 0.00 H new ATOM 21 N ASP A 3 11.348 -25.165 3.288 1.00 0.00 N ATOM 22 CA ASP A 3 11.367 -25.387 1.832 1.00 0.00 C ATOM 23 C ASP A 3 12.187 -24.286 1.111 1.00 0.00 C ATOM 24 O ASP A 3 12.651 -23.331 1.745 1.00 0.00 O ATOM 25 CB ASP A 3 9.910 -25.484 1.334 1.00 0.00 C ATOM 26 CG ASP A 3 9.797 -26.165 -0.039 1.00 0.00 C ATOM 27 OD1 ASP A 3 9.932 -25.465 -1.069 1.00 0.00 O ATOM 28 OD2 ASP A 3 9.601 -27.403 -0.090 1.00 0.00 O ATOM 0 H ASP A 3 11.168 -24.189 3.525 1.00 0.00 H new ATOM 0 HA ASP A 3 11.870 -26.325 1.596 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.318 -26.040 2.061 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.483 -24.483 1.275 1.00 0.00 H new ATOM 33 N HIS A 4 12.382 -24.410 -0.205 1.00 0.00 N ATOM 34 CA HIS A 4 13.218 -23.539 -1.045 1.00 0.00 C ATOM 35 C HIS A 4 12.457 -22.826 -2.184 1.00 0.00 C ATOM 36 O HIS A 4 13.015 -21.926 -2.819 1.00 0.00 O ATOM 37 CB HIS A 4 14.402 -24.361 -1.584 1.00 0.00 C ATOM 38 CG HIS A 4 14.005 -25.505 -2.489 1.00 0.00 C ATOM 39 ND1 HIS A 4 13.701 -25.413 -3.831 1.00 0.00 N ATOM 40 CD2 HIS A 4 13.901 -26.822 -2.129 1.00 0.00 C ATOM 41 CE1 HIS A 4 13.414 -26.649 -4.275 1.00 0.00 C ATOM 42 NE2 HIS A 4 13.523 -27.541 -3.272 1.00 0.00 N ATOM 0 H HIS A 4 11.941 -25.156 -0.742 1.00 0.00 H new ATOM 0 HA HIS A 4 13.575 -22.726 -0.413 1.00 0.00 H new ATOM 0 HB2 HIS A 4 15.072 -23.697 -2.130 1.00 0.00 H new ATOM 0 HB3 HIS A 4 14.966 -24.759 -0.741 1.00 0.00 H new ATOM 0 HD2 HIS A 4 14.078 -27.232 -1.145 1.00 0.00 H new ATOM 0 HE1 HIS A 4 13.136 -26.892 -5.290 1.00 0.00 H new ATOM 0 HE2 HIS A 4 13.362 -28.546 -3.332 1.00 0.00 H new ATOM 50 N MET A 5 11.193 -23.182 -2.454 1.00 0.00 N ATOM 51 CA MET A 5 10.335 -22.508 -3.441 1.00 0.00 C ATOM 52 C MET A 5 10.037 -21.054 -3.028 1.00 0.00 C ATOM 53 O MET A 5 9.522 -20.803 -1.935 1.00 0.00 O ATOM 54 CB MET A 5 9.041 -23.318 -3.628 1.00 0.00 C ATOM 55 CG MET A 5 8.133 -22.733 -4.718 1.00 0.00 C ATOM 56 SD MET A 5 6.637 -23.711 -5.031 1.00 0.00 S ATOM 57 CE MET A 5 5.866 -22.690 -6.317 1.00 0.00 C ATOM 0 H MET A 5 10.729 -23.960 -1.985 1.00 0.00 H new ATOM 0 HA MET A 5 10.862 -22.460 -4.394 1.00 0.00 H new ATOM 0 HB2 MET A 5 9.294 -24.347 -3.884 1.00 0.00 H new ATOM 0 HB3 MET A 5 8.496 -23.349 -2.684 1.00 0.00 H new ATOM 0 HG2 MET A 5 7.841 -21.723 -4.431 1.00 0.00 H new ATOM 0 HG3 MET A 5 8.701 -22.650 -5.644 1.00 0.00 H new ATOM 0 HE1 MET A 5 4.927 -23.146 -6.630 1.00 0.00 H new ATOM 0 HE2 MET A 5 5.671 -21.693 -5.922 1.00 0.00 H new ATOM 0 HE3 MET A 5 6.536 -22.616 -7.173 1.00 0.00 H new ATOM 67 N SER A 6 10.347 -20.095 -3.909 1.00 0.00 N ATOM 68 CA SER A 6 10.140 -18.653 -3.702 1.00 0.00 C ATOM 69 C SER A 6 9.541 -17.993 -4.954 1.00 0.00 C ATOM 70 O SER A 6 10.250 -17.456 -5.811 1.00 0.00 O ATOM 71 CB SER A 6 11.455 -17.997 -3.258 1.00 0.00 C ATOM 72 OG SER A 6 11.222 -16.665 -2.822 1.00 0.00 O ATOM 0 H SER A 6 10.763 -20.307 -4.816 1.00 0.00 H new ATOM 0 HA SER A 6 9.412 -18.505 -2.904 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.904 -18.577 -2.452 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.166 -17.997 -4.084 1.00 0.00 H new ATOM 0 HG SER A 6 12.069 -16.260 -2.541 1.00 0.00 H new ATOM 78 N SER A 7 8.215 -18.081 -5.090 1.00 0.00 N ATOM 79 CA SER A 7 7.431 -17.491 -6.190 1.00 0.00 C ATOM 80 C SER A 7 7.289 -15.962 -6.093 1.00 0.00 C ATOM 81 O SER A 7 7.338 -15.270 -7.114 1.00 0.00 O ATOM 82 CB SER A 7 6.038 -18.136 -6.225 1.00 0.00 C ATOM 83 OG SER A 7 5.433 -18.107 -4.938 1.00 0.00 O ATOM 0 H SER A 7 7.634 -18.581 -4.417 1.00 0.00 H new ATOM 0 HA SER A 7 7.978 -17.694 -7.111 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.407 -17.609 -6.940 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.119 -19.167 -6.570 1.00 0.00 H new ATOM 0 HG SER A 7 4.546 -18.521 -4.984 1.00 0.00 H new ATOM 89 N THR A 8 7.161 -15.431 -4.872 1.00 0.00 N ATOM 90 CA THR A 8 6.998 -14.003 -4.538 1.00 0.00 C ATOM 91 C THR A 8 7.823 -13.670 -3.292 1.00 0.00 C ATOM 92 O THR A 8 7.851 -14.455 -2.341 1.00 0.00 O ATOM 93 CB THR A 8 5.511 -13.678 -4.287 1.00 0.00 C ATOM 94 OG1 THR A 8 4.745 -13.959 -5.444 1.00 0.00 O ATOM 95 CG2 THR A 8 5.266 -12.205 -3.953 1.00 0.00 C ATOM 0 H THR A 8 7.168 -16.018 -4.038 1.00 0.00 H new ATOM 0 HA THR A 8 7.349 -13.400 -5.376 1.00 0.00 H new ATOM 0 HB THR A 8 5.218 -14.295 -3.438 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.803 -13.750 -5.271 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.201 -12.042 -3.788 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.818 -11.940 -3.051 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.604 -11.583 -4.782 1.00 0.00 H new ATOM 103 N SER A 9 8.483 -12.506 -3.265 1.00 0.00 N ATOM 104 CA SER A 9 9.420 -12.139 -2.189 1.00 0.00 C ATOM 105 C SER A 9 8.717 -11.914 -0.840 1.00 0.00 C ATOM 106 O SER A 9 7.527 -11.573 -0.813 1.00 0.00 O ATOM 107 CB SER A 9 10.202 -10.879 -2.589 1.00 0.00 C ATOM 108 OG SER A 9 9.389 -9.717 -2.549 1.00 0.00 O ATOM 0 H SER A 9 8.385 -11.791 -3.986 1.00 0.00 H new ATOM 0 HA SER A 9 10.103 -12.978 -2.056 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.052 -10.751 -1.918 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.605 -11.006 -3.594 1.00 0.00 H new ATOM 0 HG SER A 9 9.922 -8.936 -2.808 1.00 0.00 H new ATOM 114 N PRO A 10 9.424 -12.051 0.301 1.00 0.00 N ATOM 115 CA PRO A 10 8.830 -11.801 1.613 1.00 0.00 C ATOM 116 C PRO A 10 8.431 -10.328 1.796 1.00 0.00 C ATOM 117 O PRO A 10 7.431 -10.047 2.452 1.00 0.00 O ATOM 118 CB PRO A 10 9.868 -12.270 2.638 1.00 0.00 C ATOM 119 CG PRO A 10 11.196 -12.180 1.888 1.00 0.00 C ATOM 120 CD PRO A 10 10.806 -12.492 0.444 1.00 0.00 C ATOM 0 HA PRO A 10 7.895 -12.347 1.737 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.867 -11.637 3.525 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.667 -13.288 2.973 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.643 -11.190 1.979 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.924 -12.895 2.272 1.00 0.00 H new ATOM 0 HD2 PRO A 10 11.457 -11.971 -0.258 1.00 0.00 H new ATOM 0 HD3 PRO A 10 10.900 -13.558 0.235 1.00 0.00 H new ATOM 128 N ASN A 11 9.150 -9.390 1.168 1.00 0.00 N ATOM 129 CA ASN A 11 8.813 -7.964 1.163 1.00 0.00 C ATOM 130 C ASN A 11 7.503 -7.672 0.408 1.00 0.00 C ATOM 131 O ASN A 11 6.664 -6.931 0.921 1.00 0.00 O ATOM 132 CB ASN A 11 9.989 -7.166 0.580 1.00 0.00 C ATOM 133 CG ASN A 11 11.200 -7.156 1.500 1.00 0.00 C ATOM 134 OD1 ASN A 11 11.135 -6.748 2.652 1.00 0.00 O ATOM 135 ND2 ASN A 11 12.345 -7.595 1.030 1.00 0.00 N ATOM 0 H ASN A 11 9.996 -9.606 0.641 1.00 0.00 H new ATOM 0 HA ASN A 11 8.641 -7.650 2.193 1.00 0.00 H new ATOM 0 HB2 ASN A 11 10.272 -7.593 -0.382 1.00 0.00 H new ATOM 0 HB3 ASN A 11 9.671 -6.140 0.393 1.00 0.00 H new ATOM 0 HD21 ASN A 11 13.174 -7.595 1.624 1.00 0.00 H new ATOM 0 HD22 ASN A 11 12.405 -7.936 0.071 1.00 0.00 H new ATOM 142 N LEU A 12 7.286 -8.271 -0.773 1.00 0.00 N ATOM 143 CA LEU A 12 6.000 -8.192 -1.483 1.00 0.00 C ATOM 144 C LEU A 12 4.868 -8.827 -0.672 1.00 0.00 C ATOM 145 O LEU A 12 3.829 -8.199 -0.475 1.00 0.00 O ATOM 146 CB LEU A 12 6.092 -8.865 -2.863 1.00 0.00 C ATOM 147 CG LEU A 12 6.708 -7.972 -3.947 1.00 0.00 C ATOM 148 CD1 LEU A 12 7.002 -8.810 -5.189 1.00 0.00 C ATOM 149 CD2 LEU A 12 5.772 -6.831 -4.354 1.00 0.00 C ATOM 0 H LEU A 12 7.993 -8.821 -1.261 1.00 0.00 H new ATOM 0 HA LEU A 12 5.773 -7.134 -1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.686 -9.775 -2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.093 -9.166 -3.178 1.00 0.00 H new ATOM 0 HG LEU A 12 7.620 -7.543 -3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.440 -8.176 -5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.701 -9.606 -4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.075 -9.247 -5.561 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.250 -6.225 -5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.842 -7.245 -4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.557 -6.210 -3.485 1.00 0.00 H new ATOM 161 N GLN A 13 5.073 -10.050 -0.170 1.00 0.00 N ATOM 162 CA GLN A 13 4.106 -10.726 0.707 1.00 0.00 C ATOM 163 C GLN A 13 3.685 -9.832 1.890 1.00 0.00 C ATOM 164 O GLN A 13 2.489 -9.664 2.132 1.00 0.00 O ATOM 165 CB GLN A 13 4.657 -12.077 1.190 1.00 0.00 C ATOM 166 CG GLN A 13 4.663 -13.144 0.081 1.00 0.00 C ATOM 167 CD GLN A 13 5.188 -14.487 0.591 1.00 0.00 C ATOM 168 OE1 GLN A 13 4.635 -15.097 1.498 1.00 0.00 O ATOM 169 NE2 GLN A 13 6.255 -15.021 0.036 1.00 0.00 N ATOM 0 H GLN A 13 5.911 -10.599 -0.359 1.00 0.00 H new ATOM 0 HA GLN A 13 3.208 -10.920 0.121 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.672 -11.939 1.562 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.056 -12.432 2.027 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.652 -13.272 -0.306 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.282 -12.803 -0.749 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.734 -14.534 -0.721 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.603 -15.922 0.363 1.00 0.00 H new ATOM 178 N LYS A 14 4.647 -9.188 2.571 1.00 0.00 N ATOM 179 CA LYS A 14 4.406 -8.165 3.606 1.00 0.00 C ATOM 180 C LYS A 14 3.564 -7.001 3.063 1.00 0.00 C ATOM 181 O LYS A 14 2.489 -6.731 3.594 1.00 0.00 O ATOM 182 CB LYS A 14 5.752 -7.689 4.199 1.00 0.00 C ATOM 183 CG LYS A 14 5.687 -7.208 5.657 1.00 0.00 C ATOM 184 CD LYS A 14 4.680 -6.087 5.919 1.00 0.00 C ATOM 185 CE LYS A 14 4.771 -5.553 7.357 1.00 0.00 C ATOM 186 NZ LYS A 14 4.332 -6.550 8.370 1.00 0.00 N ATOM 0 H LYS A 14 5.639 -9.368 2.414 1.00 0.00 H new ATOM 0 HA LYS A 14 3.823 -8.612 4.412 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.470 -8.507 4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.137 -6.877 3.582 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.438 -8.057 6.294 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.677 -6.865 5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.856 -5.271 5.218 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.671 -6.456 5.733 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.799 -5.258 7.566 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.158 -4.656 7.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.414 -6.138 9.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.342 -6.814 8.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.933 -7.397 8.307 1.00 0.00 H new ATOM 200 N ALA A 15 4.022 -6.327 2.005 1.00 0.00 N ATOM 201 CA ALA A 15 3.350 -5.171 1.406 1.00 0.00 C ATOM 202 C ALA A 15 1.855 -5.423 1.151 1.00 0.00 C ATOM 203 O ALA A 15 1.016 -4.603 1.521 1.00 0.00 O ATOM 204 CB ALA A 15 4.056 -4.788 0.101 1.00 0.00 C ATOM 0 H ALA A 15 4.890 -6.575 1.530 1.00 0.00 H new ATOM 0 HA ALA A 15 3.412 -4.348 2.118 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.556 -3.928 -0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.095 -4.535 0.310 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.020 -5.628 -0.592 1.00 0.00 H new ATOM 210 N ILE A 16 1.520 -6.570 0.555 1.00 0.00 N ATOM 211 CA ILE A 16 0.147 -6.949 0.192 1.00 0.00 C ATOM 212 C ILE A 16 -0.668 -7.333 1.432 1.00 0.00 C ATOM 213 O ILE A 16 -1.825 -6.931 1.550 1.00 0.00 O ATOM 214 CB ILE A 16 0.128 -8.112 -0.831 1.00 0.00 C ATOM 215 CG1 ILE A 16 0.962 -7.800 -2.097 1.00 0.00 C ATOM 216 CG2 ILE A 16 -1.313 -8.446 -1.263 1.00 0.00 C ATOM 217 CD1 ILE A 16 1.336 -9.029 -2.935 1.00 0.00 C ATOM 0 H ILE A 16 2.209 -7.279 0.305 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.311 -6.076 -0.273 1.00 0.00 H new ATOM 0 HB ILE A 16 0.574 -8.967 -0.322 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.401 -7.107 -2.724 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.877 -7.290 -1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.297 -9.266 -1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.896 -8.740 -0.390 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.767 -7.569 -1.724 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.919 -8.715 -3.801 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.927 -9.716 -2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.428 -9.530 -3.271 1.00 0.00 H new ATOM 229 N ASP A 17 -0.081 -8.074 2.381 1.00 0.00 N ATOM 230 CA ASP A 17 -0.747 -8.452 3.634 1.00 0.00 C ATOM 231 C ASP A 17 -1.187 -7.209 4.421 1.00 0.00 C ATOM 232 O ASP A 17 -2.284 -7.160 4.982 1.00 0.00 O ATOM 233 CB ASP A 17 0.217 -9.296 4.477 1.00 0.00 C ATOM 234 CG ASP A 17 -0.419 -9.750 5.801 1.00 0.00 C ATOM 235 OD1 ASP A 17 -1.281 -10.662 5.775 1.00 0.00 O ATOM 236 OD2 ASP A 17 -0.046 -9.214 6.871 1.00 0.00 O ATOM 0 H ASP A 17 0.872 -8.429 2.301 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.640 -9.032 3.400 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.527 -10.171 3.905 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.116 -8.717 4.687 1.00 0.00 H new ATOM 241 N LEU A 18 -0.337 -6.180 4.411 1.00 0.00 N ATOM 242 CA LEU A 18 -0.561 -4.935 5.130 1.00 0.00 C ATOM 243 C LEU A 18 -1.460 -3.970 4.327 1.00 0.00 C ATOM 244 O LEU A 18 -2.300 -3.302 4.924 1.00 0.00 O ATOM 245 CB LEU A 18 0.809 -4.412 5.605 1.00 0.00 C ATOM 246 CG LEU A 18 1.384 -3.192 4.888 1.00 0.00 C ATOM 247 CD1 LEU A 18 0.891 -1.949 5.610 1.00 0.00 C ATOM 248 CD2 LEU A 18 2.904 -3.184 4.991 1.00 0.00 C ATOM 0 H LEU A 18 0.541 -6.194 3.892 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.152 -5.074 6.035 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.729 -4.172 6.665 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.529 -5.225 5.516 1.00 0.00 H new ATOM 0 HG LEU A 18 1.077 -3.217 3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.288 -1.061 5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.198 -1.922 5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.230 -1.971 6.646 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.299 -2.309 4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.197 -3.150 6.040 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.305 -4.087 4.531 1.00 0.00 H new ATOM 260 N ALA A 19 -1.381 -3.963 2.990 1.00 0.00 N ATOM 261 CA ALA A 19 -2.318 -3.265 2.100 1.00 0.00 C ATOM 262 C ALA A 19 -3.761 -3.772 2.299 1.00 0.00 C ATOM 263 O ALA A 19 -4.701 -2.985 2.425 1.00 0.00 O ATOM 264 CB ALA A 19 -1.884 -3.475 0.643 1.00 0.00 C ATOM 0 H ALA A 19 -0.645 -4.455 2.484 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.301 -2.202 2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.577 -2.958 -0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.880 -3.076 0.501 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.887 -4.540 0.413 1.00 0.00 H new ATOM 270 N SER A 20 -3.927 -5.098 2.380 1.00 0.00 N ATOM 271 CA SER A 20 -5.195 -5.769 2.690 1.00 0.00 C ATOM 272 C SER A 20 -5.759 -5.336 4.055 1.00 0.00 C ATOM 273 O SER A 20 -6.954 -5.055 4.183 1.00 0.00 O ATOM 274 CB SER A 20 -4.975 -7.289 2.640 1.00 0.00 C ATOM 275 OG SER A 20 -6.210 -7.987 2.653 1.00 0.00 O ATOM 0 H SER A 20 -3.160 -5.753 2.227 1.00 0.00 H new ATOM 0 HA SER A 20 -5.937 -5.479 1.946 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.417 -7.549 1.741 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.370 -7.600 3.492 1.00 0.00 H new ATOM 0 HG SER A 20 -6.041 -8.952 2.619 1.00 0.00 H new ATOM 281 N LYS A 21 -4.895 -5.205 5.075 1.00 0.00 N ATOM 282 CA LYS A 21 -5.260 -4.749 6.428 1.00 0.00 C ATOM 283 C LYS A 21 -5.564 -3.246 6.488 1.00 0.00 C ATOM 284 O LYS A 21 -6.444 -2.826 7.233 1.00 0.00 O ATOM 285 CB LYS A 21 -4.141 -5.140 7.405 1.00 0.00 C ATOM 286 CG LYS A 21 -4.615 -5.056 8.866 1.00 0.00 C ATOM 287 CD LYS A 21 -3.490 -5.334 9.867 1.00 0.00 C ATOM 288 CE LYS A 21 -2.957 -6.770 9.752 1.00 0.00 C ATOM 289 NZ LYS A 21 -1.968 -7.076 10.818 1.00 0.00 N ATOM 0 H LYS A 21 -3.902 -5.418 4.981 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.187 -5.244 6.717 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.805 -6.154 7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.284 -4.482 7.261 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.027 -4.064 9.054 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.422 -5.772 9.024 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.674 -4.630 9.700 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.856 -5.163 10.880 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.788 -7.473 9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.494 -6.909 8.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.630 -8.054 10.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.163 -6.421 10.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.417 -6.967 11.750 1.00 0.00 H new ATOM 303 N ALA A 22 -4.891 -2.431 5.680 1.00 0.00 N ATOM 304 CA ALA A 22 -5.149 -0.996 5.561 1.00 0.00 C ATOM 305 C ALA A 22 -6.634 -0.722 5.263 1.00 0.00 C ATOM 306 O ALA A 22 -7.303 -0.003 6.007 1.00 0.00 O ATOM 307 CB ALA A 22 -4.216 -0.418 4.491 1.00 0.00 C ATOM 0 H ALA A 22 -4.135 -2.755 5.077 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.939 -0.498 6.508 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.397 0.652 4.390 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.179 -0.585 4.783 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.408 -0.909 3.537 1.00 0.00 H new ATOM 313 N ALA A 23 -7.158 -1.379 4.224 1.00 0.00 N ATOM 314 CA ALA A 23 -8.574 -1.391 3.861 1.00 0.00 C ATOM 315 C ALA A 23 -9.500 -1.961 4.952 1.00 0.00 C ATOM 316 O ALA A 23 -10.602 -1.440 5.114 1.00 0.00 O ATOM 317 CB ALA A 23 -8.720 -2.146 2.537 1.00 0.00 C ATOM 0 H ALA A 23 -6.585 -1.937 3.591 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.903 -0.358 3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.770 -2.168 2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.139 -1.642 1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.355 -3.166 2.658 1.00 0.00 H new ATOM 323 N GLN A 24 -9.079 -2.966 5.734 1.00 0.00 N ATOM 324 CA GLN A 24 -9.836 -3.458 6.900 1.00 0.00 C ATOM 325 C GLN A 24 -10.097 -2.328 7.910 1.00 0.00 C ATOM 326 O GLN A 24 -11.242 -2.084 8.289 1.00 0.00 O ATOM 327 CB GLN A 24 -9.109 -4.644 7.570 1.00 0.00 C ATOM 328 CG GLN A 24 -9.912 -5.270 8.720 1.00 0.00 C ATOM 329 CD GLN A 24 -9.082 -6.300 9.483 1.00 0.00 C ATOM 330 OE1 GLN A 24 -9.088 -7.489 9.186 1.00 0.00 O ATOM 331 NE2 GLN A 24 -8.337 -5.899 10.493 1.00 0.00 N ATOM 0 H GLN A 24 -8.202 -3.463 5.577 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.803 -3.814 6.544 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.904 -5.408 6.820 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.146 -4.304 7.950 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.242 -4.488 9.404 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.809 -5.745 8.323 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.320 -4.913 10.754 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.777 -6.574 11.014 1.00 0.00 H new ATOM 340 N GLU A 25 -9.045 -1.632 8.344 1.00 0.00 N ATOM 341 CA GLU A 25 -9.141 -0.546 9.328 1.00 0.00 C ATOM 342 C GLU A 25 -9.877 0.688 8.778 1.00 0.00 C ATOM 343 O GLU A 25 -10.719 1.273 9.465 1.00 0.00 O ATOM 344 CB GLU A 25 -7.732 -0.167 9.816 1.00 0.00 C ATOM 345 CG GLU A 25 -6.973 -1.326 10.478 1.00 0.00 C ATOM 346 CD GLU A 25 -7.806 -2.010 11.576 1.00 0.00 C ATOM 347 OE1 GLU A 25 -8.204 -1.317 12.543 1.00 0.00 O ATOM 348 OE2 GLU A 25 -8.113 -3.221 11.447 1.00 0.00 O ATOM 0 H GLU A 25 -8.093 -1.806 8.021 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.734 -0.911 10.166 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.151 0.199 8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.813 0.655 10.527 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.700 -2.060 9.720 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.044 -0.952 10.908 1.00 0.00 H new ATOM 355 N ASP A 26 -9.599 1.068 7.529 1.00 0.00 N ATOM 356 CA ASP A 26 -10.296 2.135 6.805 1.00 0.00 C ATOM 357 C ASP A 26 -11.795 1.849 6.696 1.00 0.00 C ATOM 358 O ASP A 26 -12.602 2.560 7.277 1.00 0.00 O ATOM 359 CB ASP A 26 -9.622 2.318 5.430 1.00 0.00 C ATOM 360 CG ASP A 26 -10.446 2.953 4.290 1.00 0.00 C ATOM 361 OD1 ASP A 26 -11.445 3.666 4.530 1.00 0.00 O ATOM 362 OD2 ASP A 26 -10.063 2.720 3.119 1.00 0.00 O ATOM 0 H ASP A 26 -8.862 0.630 6.977 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.217 3.072 7.357 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.730 2.928 5.575 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.286 1.338 5.091 1.00 0.00 H new ATOM 367 N LYS A 27 -12.199 0.805 5.975 1.00 0.00 N ATOM 368 CA LYS A 27 -13.608 0.560 5.636 1.00 0.00 C ATOM 369 C LYS A 27 -14.510 0.156 6.813 1.00 0.00 C ATOM 370 O LYS A 27 -15.733 0.124 6.668 1.00 0.00 O ATOM 371 CB LYS A 27 -13.687 -0.477 4.497 1.00 0.00 C ATOM 372 CG LYS A 27 -13.136 0.016 3.146 1.00 0.00 C ATOM 373 CD LYS A 27 -13.758 1.332 2.644 1.00 0.00 C ATOM 374 CE LYS A 27 -15.289 1.378 2.761 1.00 0.00 C ATOM 375 NZ LYS A 27 -15.956 0.444 1.813 1.00 0.00 N ATOM 0 H LYS A 27 -11.560 0.101 5.606 1.00 0.00 H new ATOM 0 HA LYS A 27 -14.009 1.521 5.313 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -13.137 -1.369 4.796 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -14.727 -0.774 4.364 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.058 0.149 3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.301 -0.758 2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.335 2.162 3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.478 1.481 1.601 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -15.581 1.127 3.781 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.635 2.394 2.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.987 0.510 1.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -15.700 0.698 0.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.647 -0.529 2.010 1.00 0.00 H new ATOM 389 N ALA A 28 -13.923 -0.101 7.979 1.00 0.00 N ATOM 390 CA ALA A 28 -14.616 -0.281 9.265 1.00 0.00 C ATOM 391 C ALA A 28 -14.846 1.071 9.987 1.00 0.00 C ATOM 392 O ALA A 28 -15.487 1.148 11.037 1.00 0.00 O ATOM 393 CB ALA A 28 -13.773 -1.222 10.135 1.00 0.00 C ATOM 0 H ALA A 28 -12.911 -0.195 8.064 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.601 -0.712 9.085 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.267 -1.371 11.095 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -13.663 -2.182 9.631 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.789 -0.783 10.298 1.00 0.00 H new ATOM 399 N GLY A 29 -14.294 2.135 9.403 1.00 0.00 N ATOM 400 CA GLY A 29 -14.124 3.499 9.875 1.00 0.00 C ATOM 401 C GLY A 29 -13.535 3.641 11.270 1.00 0.00 C ATOM 402 O GLY A 29 -13.957 4.487 12.062 1.00 0.00 O ATOM 0 H GLY A 29 -13.907 2.041 8.464 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.482 4.030 9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.095 3.995 9.857 1.00 0.00 H new ATOM 406 N ASN A 30 -12.524 2.811 11.547 1.00 0.00 N ATOM 407 CA ASN A 30 -11.670 2.952 12.726 1.00 0.00 C ATOM 408 C ASN A 30 -10.858 4.249 12.598 1.00 0.00 C ATOM 409 O ASN A 30 -10.634 4.935 13.596 1.00 0.00 O ATOM 410 CB ASN A 30 -10.746 1.721 12.846 1.00 0.00 C ATOM 411 CG ASN A 30 -11.494 0.446 13.228 1.00 0.00 C ATOM 412 OD1 ASN A 30 -12.656 0.449 13.612 1.00 0.00 O ATOM 413 ND2 ASN A 30 -10.861 -0.700 13.161 1.00 0.00 N ATOM 0 H ASN A 30 -12.276 2.019 10.955 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.276 3.007 13.631 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -10.234 1.564 11.896 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.978 1.922 13.593 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.338 -1.562 13.426 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.892 -0.730 12.844 1.00 0.00 H new ATOM 420 N TYR A 31 -10.454 4.574 11.356 1.00 0.00 N ATOM 421 CA TYR A 31 -9.640 5.717 10.931 1.00 0.00 C ATOM 422 C TYR A 31 -8.573 6.076 11.991 1.00 0.00 C ATOM 423 O TYR A 31 -8.480 7.203 12.477 1.00 0.00 O ATOM 424 CB TYR A 31 -10.534 6.895 10.483 1.00 0.00 C ATOM 425 CG TYR A 31 -11.747 6.576 9.615 1.00 0.00 C ATOM 426 CD1 TYR A 31 -11.646 5.782 8.448 1.00 0.00 C ATOM 427 CD2 TYR A 31 -12.991 7.143 9.962 1.00 0.00 C ATOM 428 CE1 TYR A 31 -12.784 5.590 7.635 1.00 0.00 C ATOM 429 CE2 TYR A 31 -14.114 6.978 9.131 1.00 0.00 C ATOM 430 CZ TYR A 31 -14.011 6.208 7.955 1.00 0.00 C ATOM 431 OH TYR A 31 -15.111 6.008 7.178 1.00 0.00 O ATOM 0 H TYR A 31 -10.713 3.991 10.560 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.067 5.440 10.046 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -10.888 7.407 11.378 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.909 7.602 9.938 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.704 5.326 8.181 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -13.082 7.710 10.876 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.714 4.963 6.758 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -15.054 7.441 9.394 1.00 0.00 H new ATOM 0 HH TYR A 31 -15.868 6.509 7.547 1.00 0.00 H new ATOM 441 N GLU A 32 -7.778 5.070 12.362 1.00 0.00 N ATOM 442 CA GLU A 32 -6.724 5.141 13.382 1.00 0.00 C ATOM 443 C GLU A 32 -5.427 4.499 12.852 1.00 0.00 C ATOM 444 O GLU A 32 -4.534 5.202 12.380 1.00 0.00 O ATOM 445 CB GLU A 32 -7.265 4.516 14.683 1.00 0.00 C ATOM 446 CG GLU A 32 -6.248 4.512 15.829 1.00 0.00 C ATOM 447 CD GLU A 32 -6.902 4.055 17.147 1.00 0.00 C ATOM 448 OE1 GLU A 32 -6.902 2.833 17.440 1.00 0.00 O ATOM 449 OE2 GLU A 32 -7.414 4.912 17.909 1.00 0.00 O ATOM 0 H GLU A 32 -7.853 4.143 11.943 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.455 6.172 13.612 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.153 5.064 14.998 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.578 3.491 14.482 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.419 3.849 15.582 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.831 5.511 15.953 1.00 0.00 H new ATOM 456 N GLU A 33 -5.333 3.167 12.864 1.00 0.00 N ATOM 457 CA GLU A 33 -4.207 2.405 12.296 1.00 0.00 C ATOM 458 C GLU A 33 -4.151 2.473 10.753 1.00 0.00 C ATOM 459 O GLU A 33 -3.076 2.396 10.162 1.00 0.00 O ATOM 460 CB GLU A 33 -4.325 0.960 12.811 1.00 0.00 C ATOM 461 CG GLU A 33 -3.301 0.007 12.190 1.00 0.00 C ATOM 462 CD GLU A 33 -3.227 -1.324 12.965 1.00 0.00 C ATOM 463 OE1 GLU A 33 -4.067 -2.225 12.727 1.00 0.00 O ATOM 464 OE2 GLU A 33 -2.320 -1.480 13.819 1.00 0.00 O ATOM 0 H GLU A 33 -6.051 2.571 13.277 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.265 2.847 12.621 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.203 0.957 13.894 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.328 0.589 12.603 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.568 -0.189 11.152 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.319 0.480 12.183 1.00 0.00 H new ATOM 471 N ALA A 34 -5.298 2.662 10.097 1.00 0.00 N ATOM 472 CA ALA A 34 -5.496 2.645 8.649 1.00 0.00 C ATOM 473 C ALA A 34 -4.440 3.447 7.876 1.00 0.00 C ATOM 474 O ALA A 34 -3.710 2.875 7.070 1.00 0.00 O ATOM 475 CB ALA A 34 -6.911 3.156 8.352 1.00 0.00 C ATOM 0 H ALA A 34 -6.169 2.843 10.597 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.379 1.618 8.302 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.081 3.152 7.275 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.641 2.508 8.837 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.018 4.172 8.732 1.00 0.00 H new ATOM 481 N LEU A 35 -4.335 4.756 8.130 1.00 0.00 N ATOM 482 CA LEU A 35 -3.374 5.649 7.461 1.00 0.00 C ATOM 483 C LEU A 35 -1.954 5.071 7.371 1.00 0.00 C ATOM 484 O LEU A 35 -1.405 4.962 6.275 1.00 0.00 O ATOM 485 CB LEU A 35 -3.347 7.011 8.184 1.00 0.00 C ATOM 486 CG LEU A 35 -3.168 8.256 7.296 1.00 0.00 C ATOM 487 CD1 LEU A 35 -1.939 8.185 6.390 1.00 0.00 C ATOM 488 CD2 LEU A 35 -4.412 8.513 6.449 1.00 0.00 C ATOM 0 H LEU A 35 -4.921 5.234 8.814 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.718 5.767 6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.277 7.120 8.741 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.538 6.994 8.914 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.015 9.086 7.986 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.874 9.094 5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.042 8.088 7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.023 7.322 5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.256 9.398 5.833 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.599 7.652 5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.270 8.672 7.102 1.00 0.00 H new ATOM 500 N GLN A 36 -1.365 4.668 8.503 1.00 0.00 N ATOM 501 CA GLN A 36 0.001 4.134 8.517 1.00 0.00 C ATOM 502 C GLN A 36 0.118 2.798 7.766 1.00 0.00 C ATOM 503 O GLN A 36 1.175 2.509 7.209 1.00 0.00 O ATOM 504 CB GLN A 36 0.589 4.064 9.939 1.00 0.00 C ATOM 505 CG GLN A 36 -0.161 3.157 10.924 1.00 0.00 C ATOM 506 CD GLN A 36 0.631 2.938 12.210 1.00 0.00 C ATOM 507 OE1 GLN A 36 0.437 3.607 13.218 1.00 0.00 O ATOM 508 NE2 GLN A 36 1.551 1.995 12.235 1.00 0.00 N ATOM 0 H GLN A 36 -1.812 4.702 9.419 1.00 0.00 H new ATOM 0 HA GLN A 36 0.614 4.847 7.966 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.621 3.719 9.869 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.617 5.073 10.351 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.127 3.601 11.164 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.361 2.195 10.452 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.724 1.429 11.404 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.090 1.831 13.085 1.00 0.00 H new ATOM 517 N LEU A 37 -0.968 2.023 7.661 1.00 0.00 N ATOM 518 CA LEU A 37 -1.010 0.823 6.820 1.00 0.00 C ATOM 519 C LEU A 37 -0.990 1.191 5.327 1.00 0.00 C ATOM 520 O LEU A 37 -0.229 0.618 4.549 1.00 0.00 O ATOM 521 CB LEU A 37 -2.218 -0.059 7.171 1.00 0.00 C ATOM 522 CG LEU A 37 -2.232 -0.627 8.600 1.00 0.00 C ATOM 523 CD1 LEU A 37 -3.488 -1.475 8.790 1.00 0.00 C ATOM 524 CD2 LEU A 37 -1.038 -1.541 8.880 1.00 0.00 C ATOM 0 H LEU A 37 -1.840 2.210 8.156 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.112 0.240 7.023 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.127 0.524 7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.254 -0.891 6.468 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.196 0.226 9.277 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.504 -1.881 9.802 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.372 -0.856 8.633 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.486 -2.294 8.071 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.097 -1.914 9.902 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.052 -2.381 8.186 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.112 -0.980 8.752 1.00 0.00 H new ATOM 536 N TYR A 38 -1.769 2.191 4.917 1.00 0.00 N ATOM 537 CA TYR A 38 -1.783 2.662 3.530 1.00 0.00 C ATOM 538 C TYR A 38 -0.397 3.094 3.030 1.00 0.00 C ATOM 539 O TYR A 38 0.045 2.643 1.971 1.00 0.00 O ATOM 540 CB TYR A 38 -2.813 3.776 3.359 1.00 0.00 C ATOM 541 CG TYR A 38 -4.176 3.225 3.005 1.00 0.00 C ATOM 542 CD1 TYR A 38 -4.469 2.835 1.690 1.00 0.00 C ATOM 543 CD2 TYR A 38 -5.113 2.993 4.016 1.00 0.00 C ATOM 544 CE1 TYR A 38 -5.718 2.271 1.369 1.00 0.00 C ATOM 545 CE2 TYR A 38 -6.345 2.390 3.720 1.00 0.00 C ATOM 546 CZ TYR A 38 -6.670 2.054 2.386 1.00 0.00 C ATOM 547 OH TYR A 38 -7.865 1.493 2.066 1.00 0.00 O ATOM 0 H TYR A 38 -2.406 2.697 5.533 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.074 1.817 2.906 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.882 4.353 4.281 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.483 4.461 2.578 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.728 2.969 0.915 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.887 3.280 5.032 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.946 2.005 0.347 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.047 2.182 4.514 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.586 1.981 2.515 1.00 0.00 H new ATOM 557 N GLN A 39 0.312 3.938 3.788 1.00 0.00 N ATOM 558 CA GLN A 39 1.665 4.365 3.412 1.00 0.00 C ATOM 559 C GLN A 39 2.734 3.261 3.551 1.00 0.00 C ATOM 560 O GLN A 39 3.609 3.174 2.687 1.00 0.00 O ATOM 561 CB GLN A 39 2.073 5.664 4.126 1.00 0.00 C ATOM 562 CG GLN A 39 1.826 5.719 5.639 1.00 0.00 C ATOM 563 CD GLN A 39 2.617 6.845 6.299 1.00 0.00 C ATOM 564 OE1 GLN A 39 3.688 6.647 6.856 1.00 0.00 O ATOM 565 NE2 GLN A 39 2.129 8.068 6.261 1.00 0.00 N ATOM 0 H GLN A 39 -0.027 4.338 4.663 1.00 0.00 H new ATOM 0 HA GLN A 39 1.617 4.578 2.344 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.135 5.833 3.947 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.536 6.492 3.662 1.00 0.00 H new ATOM 0 HG2 GLN A 39 0.762 5.861 5.829 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.105 4.766 6.088 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.237 8.247 5.800 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.643 8.836 6.693 1.00 0.00 H new ATOM 574 N HIS A 40 2.682 2.395 4.572 1.00 0.00 N ATOM 575 CA HIS A 40 3.690 1.331 4.746 1.00 0.00 C ATOM 576 C HIS A 40 3.676 0.308 3.593 1.00 0.00 C ATOM 577 O HIS A 40 4.741 -0.076 3.109 1.00 0.00 O ATOM 578 CB HIS A 40 3.562 0.648 6.118 1.00 0.00 C ATOM 579 CG HIS A 40 4.151 1.415 7.283 1.00 0.00 C ATOM 580 ND1 HIS A 40 4.533 0.858 8.486 1.00 0.00 N ATOM 581 CD2 HIS A 40 4.412 2.761 7.356 1.00 0.00 C ATOM 582 CE1 HIS A 40 5.014 1.841 9.267 1.00 0.00 C ATOM 583 NE2 HIS A 40 4.964 3.017 8.618 1.00 0.00 N ATOM 0 H HIS A 40 1.957 2.407 5.289 1.00 0.00 H new ATOM 0 HA HIS A 40 4.665 1.817 4.713 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.506 0.470 6.319 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.045 -0.328 6.066 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.226 3.490 6.581 1.00 0.00 H new ATOM 0 HE1 HIS A 40 5.387 1.705 10.271 1.00 0.00 H new ATOM 0 HE2 HIS A 40 5.269 3.922 8.976 1.00 0.00 H new ATOM 591 N ALA A 41 2.494 -0.090 3.104 1.00 0.00 N ATOM 592 CA ALA A 41 2.311 -0.882 1.889 1.00 0.00 C ATOM 593 C ALA A 41 3.102 -0.301 0.692 1.00 0.00 C ATOM 594 O ALA A 41 3.954 -0.985 0.122 1.00 0.00 O ATOM 595 CB ALA A 41 0.806 -0.950 1.621 1.00 0.00 C ATOM 0 H ALA A 41 1.612 0.140 3.562 1.00 0.00 H new ATOM 0 HA ALA A 41 2.711 -1.887 2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.623 -1.534 0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.307 -1.422 2.467 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.415 0.058 1.486 1.00 0.00 H new ATOM 601 N VAL A 42 2.866 0.976 0.351 1.00 0.00 N ATOM 602 CA VAL A 42 3.555 1.716 -0.732 1.00 0.00 C ATOM 603 C VAL A 42 5.074 1.750 -0.531 1.00 0.00 C ATOM 604 O VAL A 42 5.820 1.519 -1.486 1.00 0.00 O ATOM 605 CB VAL A 42 2.984 3.145 -0.883 1.00 0.00 C ATOM 606 CG1 VAL A 42 3.716 3.979 -1.942 1.00 0.00 C ATOM 607 CG2 VAL A 42 1.508 3.097 -1.292 1.00 0.00 C ATOM 0 H VAL A 42 2.170 1.544 0.833 1.00 0.00 H new ATOM 0 HA VAL A 42 3.365 1.174 -1.659 1.00 0.00 H new ATOM 0 HB VAL A 42 3.116 3.612 0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.267 4.971 -1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.767 4.072 -1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.635 3.488 -2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.125 4.113 -1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.411 2.576 -2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.936 2.568 -0.530 1.00 0.00 H new ATOM 617 N GLN A 43 5.530 1.981 0.705 1.00 0.00 N ATOM 618 CA GLN A 43 6.941 1.909 1.107 1.00 0.00 C ATOM 619 C GLN A 43 7.589 0.588 0.655 1.00 0.00 C ATOM 620 O GLN A 43 8.590 0.613 -0.062 1.00 0.00 O ATOM 621 CB GLN A 43 7.077 2.225 2.619 1.00 0.00 C ATOM 622 CG GLN A 43 7.857 1.227 3.497 1.00 0.00 C ATOM 623 CD GLN A 43 7.876 1.654 4.964 1.00 0.00 C ATOM 624 OE1 GLN A 43 8.396 2.698 5.337 1.00 0.00 O ATOM 625 NE2 GLN A 43 7.319 0.862 5.858 1.00 0.00 N ATOM 0 H GLN A 43 4.911 2.230 1.476 1.00 0.00 H new ATOM 0 HA GLN A 43 7.515 2.678 0.589 1.00 0.00 H new ATOM 0 HB2 GLN A 43 7.555 3.200 2.715 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.073 2.320 3.032 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.405 0.239 3.412 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.880 1.143 3.130 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.882 -0.011 5.564 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.325 1.122 6.844 1.00 0.00 H new ATOM 634 N TYR A 44 7.005 -0.562 1.012 1.00 0.00 N ATOM 635 CA TYR A 44 7.534 -1.865 0.605 1.00 0.00 C ATOM 636 C TYR A 44 7.426 -2.092 -0.910 1.00 0.00 C ATOM 637 O TYR A 44 8.428 -2.474 -1.514 1.00 0.00 O ATOM 638 CB TYR A 44 6.849 -3.000 1.365 1.00 0.00 C ATOM 639 CG TYR A 44 7.220 -3.120 2.830 1.00 0.00 C ATOM 640 CD1 TYR A 44 8.520 -3.514 3.205 1.00 0.00 C ATOM 641 CD2 TYR A 44 6.246 -2.897 3.819 1.00 0.00 C ATOM 642 CE1 TYR A 44 8.845 -3.677 4.567 1.00 0.00 C ATOM 643 CE2 TYR A 44 6.565 -3.059 5.180 1.00 0.00 C ATOM 644 CZ TYR A 44 7.865 -3.452 5.558 1.00 0.00 C ATOM 645 OH TYR A 44 8.156 -3.625 6.877 1.00 0.00 O ATOM 0 H TYR A 44 6.162 -0.614 1.584 1.00 0.00 H new ATOM 0 HA TYR A 44 8.594 -1.864 0.859 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.770 -2.864 1.291 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.087 -3.941 0.869 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.269 -3.691 2.447 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.248 -2.600 3.533 1.00 0.00 H new ATOM 0 HE1 TYR A 44 9.843 -3.974 4.852 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.814 -2.882 5.935 1.00 0.00 H new ATOM 0 HH TYR A 44 7.363 -3.424 7.416 1.00 0.00 H new ATOM 655 N PHE A 45 6.266 -1.841 -1.539 1.00 0.00 N ATOM 656 CA PHE A 45 6.087 -2.022 -2.989 1.00 0.00 C ATOM 657 C PHE A 45 7.216 -1.376 -3.808 1.00 0.00 C ATOM 658 O PHE A 45 7.893 -2.060 -4.579 1.00 0.00 O ATOM 659 CB PHE A 45 4.724 -1.481 -3.460 1.00 0.00 C ATOM 660 CG PHE A 45 3.501 -2.259 -3.012 1.00 0.00 C ATOM 661 CD1 PHE A 45 3.445 -3.656 -3.174 1.00 0.00 C ATOM 662 CD2 PHE A 45 2.410 -1.591 -2.431 1.00 0.00 C ATOM 663 CE1 PHE A 45 2.376 -4.384 -2.624 1.00 0.00 C ATOM 664 CE2 PHE A 45 1.373 -2.324 -1.836 1.00 0.00 C ATOM 665 CZ PHE A 45 1.382 -3.724 -1.880 1.00 0.00 C ATOM 0 H PHE A 45 5.430 -1.508 -1.059 1.00 0.00 H new ATOM 0 HA PHE A 45 6.122 -3.097 -3.165 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.624 -0.454 -3.109 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.727 -1.447 -4.549 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.223 -4.168 -3.721 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.370 -0.512 -2.443 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.318 -5.452 -2.773 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.564 -1.807 -1.342 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.633 -4.291 -1.348 1.00 0.00 H new ATOM 675 N LEU A 46 7.450 -0.074 -3.616 1.00 0.00 N ATOM 676 CA LEU A 46 8.492 0.681 -4.319 1.00 0.00 C ATOM 677 C LEU A 46 9.907 0.187 -3.992 1.00 0.00 C ATOM 678 O LEU A 46 10.730 0.062 -4.900 1.00 0.00 O ATOM 679 CB LEU A 46 8.351 2.179 -3.998 1.00 0.00 C ATOM 680 CG LEU A 46 7.051 2.814 -4.527 1.00 0.00 C ATOM 681 CD1 LEU A 46 6.917 4.235 -3.980 1.00 0.00 C ATOM 682 CD2 LEU A 46 7.024 2.893 -6.056 1.00 0.00 C ATOM 0 H LEU A 46 6.914 0.493 -2.959 1.00 0.00 H new ATOM 0 HA LEU A 46 8.350 0.519 -5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.396 2.314 -2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.202 2.712 -4.421 1.00 0.00 H new ATOM 0 HG LEU A 46 6.228 2.180 -4.196 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.997 4.684 -4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.888 4.204 -2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.770 4.832 -4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.088 3.348 -6.380 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.861 3.498 -6.404 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.104 1.889 -6.474 1.00 0.00 H new ATOM 694 N HIS A 47 10.200 -0.127 -2.728 1.00 0.00 N ATOM 695 CA HIS A 47 11.526 -0.599 -2.314 1.00 0.00 C ATOM 696 C HIS A 47 11.889 -1.978 -2.898 1.00 0.00 C ATOM 697 O HIS A 47 13.076 -2.293 -3.010 1.00 0.00 O ATOM 698 CB HIS A 47 11.627 -0.605 -0.780 1.00 0.00 C ATOM 699 CG HIS A 47 11.867 0.752 -0.152 1.00 0.00 C ATOM 700 ND1 HIS A 47 12.687 0.991 0.930 1.00 0.00 N ATOM 701 CD2 HIS A 47 11.324 1.955 -0.526 1.00 0.00 C ATOM 702 CE1 HIS A 47 12.644 2.307 1.204 1.00 0.00 C ATOM 703 NE2 HIS A 47 11.826 2.935 0.340 1.00 0.00 N ATOM 0 H HIS A 47 9.528 -0.062 -1.964 1.00 0.00 H new ATOM 0 HA HIS A 47 12.256 0.100 -2.722 1.00 0.00 H new ATOM 0 HB2 HIS A 47 10.706 -1.021 -0.371 1.00 0.00 H new ATOM 0 HB3 HIS A 47 12.436 -1.274 -0.486 1.00 0.00 H new ATOM 0 HD2 HIS A 47 10.634 2.117 -1.341 1.00 0.00 H new ATOM 0 HE1 HIS A 47 13.188 2.790 2.002 1.00 0.00 H new ATOM 0 HE2 HIS A 47 11.613 3.932 0.319 1.00 0.00 H new ATOM 711 N VAL A 48 10.907 -2.785 -3.322 1.00 0.00 N ATOM 712 CA VAL A 48 11.150 -4.015 -4.091 1.00 0.00 C ATOM 713 C VAL A 48 11.287 -3.664 -5.571 1.00 0.00 C ATOM 714 O VAL A 48 12.327 -3.905 -6.178 1.00 0.00 O ATOM 715 CB VAL A 48 10.035 -5.062 -3.883 1.00 0.00 C ATOM 716 CG1 VAL A 48 10.341 -6.337 -4.682 1.00 0.00 C ATOM 717 CG2 VAL A 48 9.912 -5.459 -2.408 1.00 0.00 C ATOM 0 H VAL A 48 9.920 -2.604 -3.142 1.00 0.00 H new ATOM 0 HA VAL A 48 12.075 -4.465 -3.730 1.00 0.00 H new ATOM 0 HB VAL A 48 9.105 -4.607 -4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.545 -7.065 -4.524 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.406 -6.095 -5.743 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.289 -6.758 -4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.118 -6.197 -2.295 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.855 -5.885 -2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.675 -4.577 -1.812 1.00 0.00 H new ATOM 727 N VAL A 49 10.248 -3.076 -6.165 1.00 0.00 N ATOM 728 CA VAL A 49 10.132 -2.874 -7.618 1.00 0.00 C ATOM 729 C VAL A 49 11.183 -1.947 -8.235 1.00 0.00 C ATOM 730 O VAL A 49 11.640 -2.209 -9.352 1.00 0.00 O ATOM 731 CB VAL A 49 8.676 -2.482 -7.954 1.00 0.00 C ATOM 732 CG1 VAL A 49 8.490 -1.456 -9.074 1.00 0.00 C ATOM 733 CG2 VAL A 49 7.933 -3.789 -8.257 1.00 0.00 C ATOM 0 H VAL A 49 9.447 -2.719 -5.645 1.00 0.00 H new ATOM 0 HA VAL A 49 10.365 -3.823 -8.100 1.00 0.00 H new ATOM 0 HB VAL A 49 8.268 -1.955 -7.092 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.427 -1.262 -9.217 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.995 -0.528 -8.805 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.916 -1.846 -9.999 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.894 -3.569 -8.502 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.407 -4.289 -9.102 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.970 -4.439 -7.383 1.00 0.00 H new ATOM 743 N LYS A 50 11.603 -0.894 -7.526 1.00 0.00 N ATOM 744 CA LYS A 50 12.616 0.062 -8.007 1.00 0.00 C ATOM 745 C LYS A 50 14.059 -0.490 -7.968 1.00 0.00 C ATOM 746 O LYS A 50 14.909 -0.005 -8.718 1.00 0.00 O ATOM 747 CB LYS A 50 12.474 1.361 -7.189 1.00 0.00 C ATOM 748 CG LYS A 50 13.109 2.590 -7.860 1.00 0.00 C ATOM 749 CD LYS A 50 13.512 3.704 -6.883 1.00 0.00 C ATOM 750 CE LYS A 50 12.390 4.153 -5.938 1.00 0.00 C ATOM 751 NZ LYS A 50 12.903 5.117 -4.927 1.00 0.00 N ATOM 0 H LYS A 50 11.249 -0.676 -6.595 1.00 0.00 H new ATOM 0 HA LYS A 50 12.431 0.258 -9.063 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.416 1.558 -7.019 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.933 1.215 -6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.992 2.272 -8.414 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.406 2.997 -8.587 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.357 3.360 -6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.856 4.566 -7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.588 4.615 -6.513 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.963 3.285 -5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.159 5.316 -4.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.730 4.709 -4.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.179 6.001 -5.399 1.00 0.00 H new ATOM 765 N TYR A 51 14.341 -1.516 -7.154 1.00 0.00 N ATOM 766 CA TYR A 51 15.711 -1.982 -6.857 1.00 0.00 C ATOM 767 C TYR A 51 15.983 -3.481 -7.104 1.00 0.00 C ATOM 768 O TYR A 51 17.124 -3.849 -7.392 1.00 0.00 O ATOM 769 CB TYR A 51 16.039 -1.671 -5.381 1.00 0.00 C ATOM 770 CG TYR A 51 15.890 -0.224 -4.928 1.00 0.00 C ATOM 771 CD1 TYR A 51 14.621 0.264 -4.567 1.00 0.00 C ATOM 772 CD2 TYR A 51 17.014 0.620 -4.819 1.00 0.00 C ATOM 773 CE1 TYR A 51 14.463 1.585 -4.110 1.00 0.00 C ATOM 774 CE2 TYR A 51 16.862 1.949 -4.366 1.00 0.00 C ATOM 775 CZ TYR A 51 15.582 2.436 -4.012 1.00 0.00 C ATOM 776 OH TYR A 51 15.405 3.730 -3.622 1.00 0.00 O ATOM 0 H TYR A 51 13.619 -2.055 -6.676 1.00 0.00 H new ATOM 0 HA TYR A 51 16.348 -1.445 -7.560 1.00 0.00 H new ATOM 0 HB2 TYR A 51 15.397 -2.290 -4.754 1.00 0.00 H new ATOM 0 HB3 TYR A 51 17.066 -1.981 -5.190 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.759 -0.382 -4.641 1.00 0.00 H new ATOM 0 HD2 TYR A 51 17.994 0.249 -5.083 1.00 0.00 H new ATOM 0 HE1 TYR A 51 13.484 1.947 -3.834 1.00 0.00 H new ATOM 0 HE2 TYR A 51 17.724 2.595 -4.290 1.00 0.00 H new ATOM 0 HH TYR A 51 16.272 4.187 -3.602 1.00 0.00 H new ATOM 786 N GLU A 52 14.974 -4.354 -7.000 1.00 0.00 N ATOM 787 CA GLU A 52 15.118 -5.824 -6.982 1.00 0.00 C ATOM 788 C GLU A 52 14.141 -6.582 -7.899 1.00 0.00 C ATOM 789 O GLU A 52 13.847 -7.760 -7.676 1.00 0.00 O ATOM 790 CB GLU A 52 15.055 -6.336 -5.524 1.00 0.00 C ATOM 791 CG GLU A 52 16.129 -5.729 -4.609 1.00 0.00 C ATOM 792 CD GLU A 52 16.155 -6.433 -3.238 1.00 0.00 C ATOM 793 OE1 GLU A 52 15.284 -6.147 -2.381 1.00 0.00 O ATOM 794 OE2 GLU A 52 17.058 -7.274 -3.000 1.00 0.00 O ATOM 0 H GLU A 52 14.003 -4.053 -6.923 1.00 0.00 H new ATOM 0 HA GLU A 52 16.098 -6.042 -7.407 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.071 -6.112 -5.112 1.00 0.00 H new ATOM 0 HB3 GLU A 52 15.162 -7.421 -5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.106 -5.815 -5.084 1.00 0.00 H new ATOM 0 HG3 GLU A 52 15.934 -4.665 -4.471 1.00 0.00 H new ATOM 801 N ALA A 53 13.658 -5.927 -8.957 1.00 0.00 N ATOM 802 CA ALA A 53 12.747 -6.513 -9.939 1.00 0.00 C ATOM 803 C ALA A 53 13.129 -6.145 -11.384 1.00 0.00 C ATOM 804 O ALA A 53 13.646 -5.053 -11.644 1.00 0.00 O ATOM 805 CB ALA A 53 11.345 -6.038 -9.571 1.00 0.00 C ATOM 0 H ALA A 53 13.895 -4.955 -9.158 1.00 0.00 H new ATOM 0 HA ALA A 53 12.802 -7.601 -9.909 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.624 -6.450 -10.277 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.099 -6.375 -8.564 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.308 -4.949 -9.608 1.00 0.00 H new ATOM 811 N GLN A 54 12.843 -7.045 -12.330 1.00 0.00 N ATOM 812 CA GLN A 54 13.168 -6.915 -13.759 1.00 0.00 C ATOM 813 C GLN A 54 11.954 -7.235 -14.649 1.00 0.00 C ATOM 814 O GLN A 54 11.035 -7.951 -14.243 1.00 0.00 O ATOM 815 CB GLN A 54 14.357 -7.828 -14.112 1.00 0.00 C ATOM 816 CG GLN A 54 15.649 -7.451 -13.369 1.00 0.00 C ATOM 817 CD GLN A 54 16.844 -8.257 -13.873 1.00 0.00 C ATOM 818 OE1 GLN A 54 17.635 -7.805 -14.693 1.00 0.00 O ATOM 819 NE2 GLN A 54 17.028 -9.480 -13.417 1.00 0.00 N ATOM 0 H GLN A 54 12.361 -7.918 -12.116 1.00 0.00 H new ATOM 0 HA GLN A 54 13.445 -5.878 -13.950 1.00 0.00 H new ATOM 0 HB2 GLN A 54 14.097 -8.860 -13.876 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.536 -7.782 -15.186 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.847 -6.387 -13.499 1.00 0.00 H new ATOM 0 HG3 GLN A 54 15.518 -7.623 -12.301 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.380 -9.873 -12.734 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.819 -10.034 -13.747 1.00 0.00 H new ATOM 828 N GLY A 55 11.970 -6.711 -15.879 1.00 0.00 N ATOM 829 CA GLY A 55 10.830 -6.708 -16.805 1.00 0.00 C ATOM 830 C GLY A 55 9.786 -5.651 -16.424 1.00 0.00 C ATOM 831 O GLY A 55 9.659 -5.275 -15.257 1.00 0.00 O ATOM 0 H GLY A 55 12.799 -6.264 -16.270 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.186 -6.518 -17.818 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.364 -7.693 -16.810 1.00 0.00 H new ATOM 835 N ASP A 56 9.021 -5.153 -17.399 1.00 0.00 N ATOM 836 CA ASP A 56 8.060 -4.065 -17.161 1.00 0.00 C ATOM 837 C ASP A 56 6.889 -4.497 -16.269 1.00 0.00 C ATOM 838 O ASP A 56 6.587 -3.826 -15.284 1.00 0.00 O ATOM 839 CB ASP A 56 7.537 -3.501 -18.490 1.00 0.00 C ATOM 840 CG ASP A 56 6.662 -2.256 -18.253 1.00 0.00 C ATOM 841 OD1 ASP A 56 7.221 -1.137 -18.156 1.00 0.00 O ATOM 842 OD2 ASP A 56 5.418 -2.387 -18.155 1.00 0.00 O ATOM 0 H ASP A 56 9.046 -5.484 -18.363 1.00 0.00 H new ATOM 0 HA ASP A 56 8.599 -3.282 -16.627 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.377 -3.243 -19.135 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.958 -4.264 -19.010 1.00 0.00 H new ATOM 847 N LYS A 57 6.228 -5.620 -16.584 1.00 0.00 N ATOM 848 CA LYS A 57 4.962 -6.002 -15.936 1.00 0.00 C ATOM 849 C LYS A 57 5.070 -6.330 -14.444 1.00 0.00 C ATOM 850 O LYS A 57 4.145 -6.029 -13.688 1.00 0.00 O ATOM 851 CB LYS A 57 4.273 -7.125 -16.732 1.00 0.00 C ATOM 852 CG LYS A 57 2.741 -7.065 -16.619 1.00 0.00 C ATOM 853 CD LYS A 57 2.148 -5.850 -17.351 1.00 0.00 C ATOM 854 CE LYS A 57 0.616 -5.943 -17.340 1.00 0.00 C ATOM 855 NZ LYS A 57 -0.013 -4.826 -18.092 1.00 0.00 N ATOM 0 H LYS A 57 6.550 -6.284 -17.288 1.00 0.00 H new ATOM 0 HA LYS A 57 4.334 -5.111 -15.958 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.561 -7.053 -17.781 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.624 -8.092 -16.371 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.313 -7.979 -17.031 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.458 -7.026 -15.567 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.470 -4.928 -16.867 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.514 -5.816 -18.377 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.307 -6.893 -17.776 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.259 -5.933 -16.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.048 -4.926 -18.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.261 -3.920 -17.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.307 -4.850 -19.081 1.00 0.00 H new ATOM 869 N ALA A 58 6.218 -6.848 -14.002 1.00 0.00 N ATOM 870 CA ALA A 58 6.548 -7.032 -12.586 1.00 0.00 C ATOM 871 C ALA A 58 6.442 -5.711 -11.794 1.00 0.00 C ATOM 872 O ALA A 58 5.879 -5.674 -10.697 1.00 0.00 O ATOM 873 CB ALA A 58 7.959 -7.630 -12.497 1.00 0.00 C ATOM 0 H ALA A 58 6.959 -7.158 -14.630 1.00 0.00 H new ATOM 0 HA ALA A 58 5.828 -7.713 -12.131 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.227 -7.776 -11.451 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.981 -8.589 -13.015 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.672 -6.950 -12.963 1.00 0.00 H new ATOM 879 N LYS A 59 6.937 -4.615 -12.384 1.00 0.00 N ATOM 880 CA LYS A 59 6.823 -3.239 -11.879 1.00 0.00 C ATOM 881 C LYS A 59 5.405 -2.703 -12.054 1.00 0.00 C ATOM 882 O LYS A 59 4.814 -2.200 -11.101 1.00 0.00 O ATOM 883 CB LYS A 59 7.834 -2.314 -12.586 1.00 0.00 C ATOM 884 CG LYS A 59 9.255 -2.892 -12.592 1.00 0.00 C ATOM 885 CD LYS A 59 10.231 -1.947 -13.295 1.00 0.00 C ATOM 886 CE LYS A 59 11.585 -2.651 -13.393 1.00 0.00 C ATOM 887 NZ LYS A 59 12.387 -2.516 -12.145 1.00 0.00 N ATOM 0 H LYS A 59 7.450 -4.664 -13.264 1.00 0.00 H new ATOM 0 HA LYS A 59 7.051 -3.257 -10.813 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.510 -2.144 -13.613 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.842 -1.343 -12.090 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.585 -3.064 -11.568 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.255 -3.859 -13.094 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.863 -1.689 -14.288 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.326 -1.015 -12.738 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.427 -3.708 -13.608 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.147 -2.236 -14.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.907 -3.399 -11.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.062 -1.731 -12.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.753 -2.323 -11.344 1.00 0.00 H new ATOM 901 N GLN A 60 4.849 -2.829 -13.262 1.00 0.00 N ATOM 902 CA GLN A 60 3.536 -2.298 -13.638 1.00 0.00 C ATOM 903 C GLN A 60 2.411 -2.773 -12.699 1.00 0.00 C ATOM 904 O GLN A 60 1.528 -1.990 -12.349 1.00 0.00 O ATOM 905 CB GLN A 60 3.256 -2.704 -15.091 1.00 0.00 C ATOM 906 CG GLN A 60 2.300 -1.769 -15.839 1.00 0.00 C ATOM 907 CD GLN A 60 2.902 -0.387 -16.094 1.00 0.00 C ATOM 908 OE1 GLN A 60 2.434 0.626 -15.592 1.00 0.00 O ATOM 909 NE2 GLN A 60 3.962 -0.279 -16.868 1.00 0.00 N ATOM 0 H GLN A 60 5.313 -3.317 -14.028 1.00 0.00 H new ATOM 0 HA GLN A 60 3.555 -1.212 -13.544 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.201 -2.745 -15.632 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.840 -3.711 -15.100 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.027 -2.223 -16.792 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.381 -1.659 -15.263 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.368 -1.111 -17.296 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.377 0.637 -17.039 1.00 0.00 H new ATOM 918 N SER A 61 2.478 -4.029 -12.238 1.00 0.00 N ATOM 919 CA SER A 61 1.556 -4.613 -11.253 1.00 0.00 C ATOM 920 C SER A 61 1.485 -3.804 -9.954 1.00 0.00 C ATOM 921 O SER A 61 0.384 -3.431 -9.533 1.00 0.00 O ATOM 922 CB SER A 61 1.943 -6.066 -10.957 1.00 0.00 C ATOM 923 OG SER A 61 1.024 -6.635 -10.035 1.00 0.00 O ATOM 0 H SER A 61 3.194 -4.685 -12.548 1.00 0.00 H new ATOM 0 HA SER A 61 0.561 -4.586 -11.696 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.950 -6.645 -11.881 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.953 -6.106 -10.548 1.00 0.00 H new ATOM 0 HG SER A 61 1.277 -7.564 -9.852 1.00 0.00 H new ATOM 929 N ILE A 62 2.624 -3.493 -9.311 1.00 0.00 N ATOM 930 CA ILE A 62 2.591 -2.647 -8.106 1.00 0.00 C ATOM 931 C ILE A 62 2.276 -1.195 -8.438 1.00 0.00 C ATOM 932 O ILE A 62 1.565 -0.551 -7.671 1.00 0.00 O ATOM 933 CB ILE A 62 3.797 -2.769 -7.150 1.00 0.00 C ATOM 934 CG1 ILE A 62 5.033 -1.891 -7.442 1.00 0.00 C ATOM 935 CG2 ILE A 62 4.216 -4.239 -6.978 1.00 0.00 C ATOM 936 CD1 ILE A 62 4.904 -0.408 -7.054 1.00 0.00 C ATOM 0 H ILE A 62 3.553 -3.804 -9.595 1.00 0.00 H new ATOM 0 HA ILE A 62 1.765 -3.063 -7.529 1.00 0.00 H new ATOM 0 HB ILE A 62 3.407 -2.357 -6.219 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.888 -2.313 -6.914 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.255 -1.951 -8.507 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.067 -4.298 -6.300 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.383 -4.809 -6.565 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.494 -4.654 -7.947 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.828 0.115 -7.302 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.075 0.040 -7.601 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.718 -0.327 -5.983 1.00 0.00 H new ATOM 948 N ARG A 63 2.739 -0.667 -9.577 1.00 0.00 N ATOM 949 CA ARG A 63 2.475 0.729 -9.966 1.00 0.00 C ATOM 950 C ARG A 63 0.969 1.008 -10.071 1.00 0.00 C ATOM 951 O ARG A 63 0.492 2.033 -9.583 1.00 0.00 O ATOM 952 CB ARG A 63 3.204 1.071 -11.276 1.00 0.00 C ATOM 953 CG ARG A 63 4.730 1.157 -11.094 1.00 0.00 C ATOM 954 CD ARG A 63 5.472 1.277 -12.434 1.00 0.00 C ATOM 955 NE ARG A 63 5.176 2.548 -13.123 1.00 0.00 N ATOM 956 CZ ARG A 63 5.566 2.918 -14.331 1.00 0.00 C ATOM 957 NH1 ARG A 63 6.282 2.145 -15.099 1.00 0.00 N ATOM 958 NH2 ARG A 63 5.245 4.092 -14.794 1.00 0.00 N ATOM 0 H ARG A 63 3.302 -1.186 -10.251 1.00 0.00 H new ATOM 0 HA ARG A 63 2.866 1.378 -9.182 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.972 0.314 -12.026 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.832 2.022 -11.658 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.971 2.017 -10.470 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.081 0.271 -10.565 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.545 1.201 -12.261 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.193 0.443 -13.078 1.00 0.00 H new ATOM 0 HE ARG A 63 4.605 3.218 -12.608 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.560 1.219 -14.774 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.564 2.466 -16.025 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.690 4.731 -14.224 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.548 4.373 -15.727 1.00 0.00 H new ATOM 972 N ALA A 64 0.218 0.052 -10.620 1.00 0.00 N ATOM 973 CA ALA A 64 -1.239 0.082 -10.745 1.00 0.00 C ATOM 974 C ALA A 64 -2.013 0.019 -9.405 1.00 0.00 C ATOM 975 O ALA A 64 -3.181 0.417 -9.379 1.00 0.00 O ATOM 976 CB ALA A 64 -1.650 -1.071 -11.671 1.00 0.00 C ATOM 0 H ALA A 64 0.626 -0.800 -11.006 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.512 1.052 -11.160 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.734 -1.077 -11.786 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.183 -0.938 -12.647 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.326 -2.018 -11.239 1.00 0.00 H new ATOM 982 N LYS A 65 -1.392 -0.432 -8.297 1.00 0.00 N ATOM 983 CA LYS A 65 -2.013 -0.480 -6.951 1.00 0.00 C ATOM 984 C LYS A 65 -1.463 0.560 -5.971 1.00 0.00 C ATOM 985 O LYS A 65 -2.237 1.233 -5.296 1.00 0.00 O ATOM 986 CB LYS A 65 -2.040 -1.908 -6.376 1.00 0.00 C ATOM 987 CG LYS A 65 -0.672 -2.449 -5.948 1.00 0.00 C ATOM 988 CD LYS A 65 -0.732 -3.900 -5.440 1.00 0.00 C ATOM 989 CE LYS A 65 -0.229 -4.945 -6.448 1.00 0.00 C ATOM 990 NZ LYS A 65 -1.066 -5.059 -7.672 1.00 0.00 N ATOM 0 H LYS A 65 -0.433 -0.778 -8.308 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.052 -0.185 -7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.709 -1.927 -5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.464 -2.579 -7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.015 -2.394 -6.792 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.265 -1.812 -5.163 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.140 -3.978 -4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.762 -4.137 -5.173 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.790 -4.692 -6.740 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.188 -5.917 -5.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.141 -6.059 -7.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.016 -4.681 -7.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.628 -4.517 -8.444 1.00 0.00 H new ATOM 1004 N CYS A 66 -0.146 0.768 -5.924 1.00 0.00 N ATOM 1005 CA CYS A 66 0.499 1.728 -5.024 1.00 0.00 C ATOM 1006 C CYS A 66 -0.043 3.155 -5.207 1.00 0.00 C ATOM 1007 O CYS A 66 -0.273 3.847 -4.216 1.00 0.00 O ATOM 1008 CB CYS A 66 2.028 1.636 -5.163 1.00 0.00 C ATOM 1009 SG CYS A 66 2.629 2.387 -6.697 1.00 0.00 S ATOM 0 H CYS A 66 0.513 0.267 -6.519 1.00 0.00 H new ATOM 0 HA CYS A 66 0.248 1.462 -3.997 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.498 2.129 -4.312 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.331 0.589 -5.131 1.00 0.00 H new ATOM 0 HG CYS A 66 3.923 2.279 -6.755 1.00 0.00 H new ATOM 1015 N THR A 67 -0.344 3.550 -6.452 1.00 0.00 N ATOM 1016 CA THR A 67 -0.935 4.853 -6.799 1.00 0.00 C ATOM 1017 C THR A 67 -2.332 5.076 -6.207 1.00 0.00 C ATOM 1018 O THR A 67 -2.754 6.224 -6.075 1.00 0.00 O ATOM 1019 CB THR A 67 -0.958 5.052 -8.327 1.00 0.00 C ATOM 1020 OG1 THR A 67 -1.056 6.425 -8.650 1.00 0.00 O ATOM 1021 CG2 THR A 67 -2.103 4.320 -9.035 1.00 0.00 C ATOM 0 H THR A 67 -0.180 2.959 -7.267 1.00 0.00 H new ATOM 0 HA THR A 67 -0.290 5.604 -6.344 1.00 0.00 H new ATOM 0 HB THR A 67 -0.019 4.625 -8.680 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.546 6.893 -7.942 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.049 4.511 -10.107 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.018 3.249 -8.852 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.057 4.679 -8.650 1.00 0.00 H new ATOM 1029 N GLU A 68 -3.054 4.012 -5.826 1.00 0.00 N ATOM 1030 CA GLU A 68 -4.331 4.131 -5.110 1.00 0.00 C ATOM 1031 C GLU A 68 -4.091 4.196 -3.600 1.00 0.00 C ATOM 1032 O GLU A 68 -4.698 5.016 -2.916 1.00 0.00 O ATOM 1033 CB GLU A 68 -5.347 3.046 -5.536 1.00 0.00 C ATOM 1034 CG GLU A 68 -5.520 1.828 -4.611 1.00 0.00 C ATOM 1035 CD GLU A 68 -6.632 0.901 -5.138 1.00 0.00 C ATOM 1036 OE1 GLU A 68 -7.817 1.100 -4.772 1.00 0.00 O ATOM 1037 OE2 GLU A 68 -6.339 -0.034 -5.924 1.00 0.00 O ATOM 0 H GLU A 68 -2.770 3.049 -6.005 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.801 5.073 -5.395 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.321 3.523 -5.648 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.055 2.681 -6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.581 1.278 -4.545 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.765 2.162 -3.603 1.00 0.00 H new ATOM 1044 N TYR A 69 -3.166 3.392 -3.068 1.00 0.00 N ATOM 1045 CA TYR A 69 -2.919 3.331 -1.627 1.00 0.00 C ATOM 1046 C TYR A 69 -2.379 4.653 -1.046 1.00 0.00 C ATOM 1047 O TYR A 69 -2.781 5.063 0.043 1.00 0.00 O ATOM 1048 CB TYR A 69 -1.942 2.179 -1.333 1.00 0.00 C ATOM 1049 CG TYR A 69 -2.370 0.784 -1.764 1.00 0.00 C ATOM 1050 CD1 TYR A 69 -3.717 0.378 -1.649 1.00 0.00 C ATOM 1051 CD2 TYR A 69 -1.407 -0.124 -2.257 1.00 0.00 C ATOM 1052 CE1 TYR A 69 -4.114 -0.912 -2.047 1.00 0.00 C ATOM 1053 CE2 TYR A 69 -1.807 -1.418 -2.648 1.00 0.00 C ATOM 1054 CZ TYR A 69 -3.157 -1.814 -2.555 1.00 0.00 C ATOM 1055 OH TYR A 69 -3.520 -3.070 -2.933 1.00 0.00 O ATOM 0 H TYR A 69 -2.573 2.771 -3.619 1.00 0.00 H new ATOM 0 HA TYR A 69 -3.877 3.154 -1.138 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.993 2.407 -1.818 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.754 2.159 -0.259 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -4.450 1.064 -1.252 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.371 0.171 -2.334 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.149 -1.210 -1.964 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.071 -2.114 -3.023 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.733 -3.554 -3.260 1.00 0.00 H new ATOM 1065 N LEU A 70 -1.553 5.385 -1.798 1.00 0.00 N ATOM 1066 CA LEU A 70 -1.104 6.736 -1.425 1.00 0.00 C ATOM 1067 C LEU A 70 -2.184 7.823 -1.590 1.00 0.00 C ATOM 1068 O LEU A 70 -2.111 8.870 -0.949 1.00 0.00 O ATOM 1069 CB LEU A 70 0.182 7.072 -2.194 1.00 0.00 C ATOM 1070 CG LEU A 70 0.064 7.042 -3.731 1.00 0.00 C ATOM 1071 CD1 LEU A 70 -0.440 8.361 -4.311 1.00 0.00 C ATOM 1072 CD2 LEU A 70 1.429 6.694 -4.321 1.00 0.00 C ATOM 0 H LEU A 70 -1.173 5.059 -2.687 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.895 6.728 -0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.516 8.065 -1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.959 6.369 -1.893 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.674 6.286 -3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.503 8.281 -5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.427 8.583 -3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.250 9.162 -4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.360 6.669 -5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.158 7.447 -4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.745 5.717 -3.955 1.00 0.00 H new ATOM 1084 N ASP A 71 -3.181 7.586 -2.446 1.00 0.00 N ATOM 1085 CA ASP A 71 -4.229 8.546 -2.811 1.00 0.00 C ATOM 1086 C ASP A 71 -5.414 8.462 -1.840 1.00 0.00 C ATOM 1087 O ASP A 71 -5.910 9.476 -1.349 1.00 0.00 O ATOM 1088 CB ASP A 71 -4.667 8.266 -4.260 1.00 0.00 C ATOM 1089 CG ASP A 71 -5.938 9.034 -4.644 1.00 0.00 C ATOM 1090 OD1 ASP A 71 -5.840 10.189 -5.121 1.00 0.00 O ATOM 1091 OD2 ASP A 71 -7.046 8.472 -4.464 1.00 0.00 O ATOM 0 H ASP A 71 -3.286 6.690 -2.921 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.838 9.561 -2.743 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.860 8.540 -4.940 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.840 7.197 -4.385 1.00 0.00 H new ATOM 1096 N ARG A 72 -5.845 7.238 -1.530 1.00 0.00 N ATOM 1097 CA ARG A 72 -7.000 6.954 -0.649 1.00 0.00 C ATOM 1098 C ARG A 72 -6.794 7.412 0.799 1.00 0.00 C ATOM 1099 O ARG A 72 -7.750 7.845 1.447 1.00 0.00 O ATOM 1100 CB ARG A 72 -7.370 5.460 -0.707 1.00 0.00 C ATOM 1101 CG ARG A 72 -7.935 4.970 -2.057 1.00 0.00 C ATOM 1102 CD ARG A 72 -9.280 5.600 -2.455 1.00 0.00 C ATOM 1103 NE ARG A 72 -9.118 6.917 -3.102 1.00 0.00 N ATOM 1104 CZ ARG A 72 -10.035 7.842 -3.303 1.00 0.00 C ATOM 1105 NH1 ARG A 72 -11.280 7.697 -2.941 1.00 0.00 N ATOM 1106 NH2 ARG A 72 -9.693 8.948 -3.886 1.00 0.00 N ATOM 0 H ARG A 72 -5.398 6.393 -1.887 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.831 7.545 -1.033 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.482 4.874 -0.470 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.105 5.255 0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.205 5.180 -2.839 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.054 3.887 -2.014 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.806 4.928 -3.133 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.903 5.709 -1.567 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.180 7.139 -3.435 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.580 6.838 -2.480 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.953 8.443 -3.119 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.727 9.091 -4.181 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -10.390 9.675 -4.050 1.00 0.00 H new ATOM 1120 N ALA A 73 -5.553 7.413 1.285 1.00 0.00 N ATOM 1121 CA ALA A 73 -5.181 7.984 2.582 1.00 0.00 C ATOM 1122 C ALA A 73 -5.504 9.497 2.692 1.00 0.00 C ATOM 1123 O ALA A 73 -5.824 9.978 3.777 1.00 0.00 O ATOM 1124 CB ALA A 73 -3.682 7.724 2.787 1.00 0.00 C ATOM 0 H ALA A 73 -4.763 7.010 0.781 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.771 7.506 3.364 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.369 8.137 3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.494 6.650 2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.117 8.200 1.985 1.00 0.00 H new ATOM 1130 N GLU A 74 -5.491 10.256 1.587 1.00 0.00 N ATOM 1131 CA GLU A 74 -5.812 11.697 1.590 1.00 0.00 C ATOM 1132 C GLU A 74 -7.279 11.984 1.957 1.00 0.00 C ATOM 1133 O GLU A 74 -7.578 13.035 2.529 1.00 0.00 O ATOM 1134 CB GLU A 74 -5.502 12.340 0.224 1.00 0.00 C ATOM 1135 CG GLU A 74 -4.043 12.209 -0.240 1.00 0.00 C ATOM 1136 CD GLU A 74 -3.088 13.035 0.640 1.00 0.00 C ATOM 1137 OE1 GLU A 74 -2.612 12.521 1.679 1.00 0.00 O ATOM 1138 OE2 GLU A 74 -2.811 14.213 0.306 1.00 0.00 O ATOM 0 H GLU A 74 -5.258 9.891 0.663 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.179 12.138 2.360 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.149 11.888 -0.528 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.759 13.398 0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.746 11.161 -0.214 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.960 12.539 -1.276 1.00 0.00 H new ATOM 1145 N LYS A 75 -8.197 11.046 1.674 1.00 0.00 N ATOM 1146 CA LYS A 75 -9.615 11.124 2.071 1.00 0.00 C ATOM 1147 C LYS A 75 -9.810 10.779 3.549 1.00 0.00 C ATOM 1148 O LYS A 75 -10.571 11.451 4.243 1.00 0.00 O ATOM 1149 CB LYS A 75 -10.438 10.200 1.152 1.00 0.00 C ATOM 1150 CG LYS A 75 -11.958 10.178 1.393 1.00 0.00 C ATOM 1151 CD LYS A 75 -12.681 11.494 1.065 1.00 0.00 C ATOM 1152 CE LYS A 75 -12.803 12.425 2.280 1.00 0.00 C ATOM 1153 NZ LYS A 75 -13.603 13.635 1.965 1.00 0.00 N ATOM 0 H LYS A 75 -7.973 10.197 1.154 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.966 12.149 1.954 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.260 10.498 0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.059 9.184 1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.395 9.380 0.793 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.143 9.929 2.438 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.143 12.010 0.270 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.677 11.271 0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.267 11.886 3.106 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.808 12.722 2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.664 14.240 2.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.146 14.162 1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.560 13.352 1.672 1.00 0.00 H new ATOM 1167 N LEU A 76 -9.062 9.794 4.049 1.00 0.00 N ATOM 1168 CA LEU A 76 -9.014 9.410 5.464 1.00 0.00 C ATOM 1169 C LEU A 76 -8.682 10.582 6.390 1.00 0.00 C ATOM 1170 O LEU A 76 -9.265 10.675 7.469 1.00 0.00 O ATOM 1171 CB LEU A 76 -8.003 8.264 5.649 1.00 0.00 C ATOM 1172 CG LEU A 76 -8.568 6.916 6.099 1.00 0.00 C ATOM 1173 CD1 LEU A 76 -9.766 6.432 5.295 1.00 0.00 C ATOM 1174 CD2 LEU A 76 -7.472 5.858 6.005 1.00 0.00 C ATOM 0 H LEU A 76 -8.453 9.223 3.463 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.011 9.074 5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.480 8.116 4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.258 8.582 6.379 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.915 7.066 7.121 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.100 5.470 5.683 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.576 7.157 5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.481 6.322 4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.868 4.894 6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.125 5.784 4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.639 6.139 6.649 1.00 0.00 H new ATOM 1186 N LYS A 77 -7.790 11.491 5.975 1.00 0.00 N ATOM 1187 CA LYS A 77 -7.318 12.632 6.787 1.00 0.00 C ATOM 1188 C LYS A 77 -8.431 13.570 7.274 1.00 0.00 C ATOM 1189 O LYS A 77 -8.216 14.320 8.223 1.00 0.00 O ATOM 1190 CB LYS A 77 -6.223 13.400 6.028 1.00 0.00 C ATOM 1191 CG LYS A 77 -4.906 12.608 6.036 1.00 0.00 C ATOM 1192 CD LYS A 77 -3.832 13.258 5.159 1.00 0.00 C ATOM 1193 CE LYS A 77 -2.570 12.386 5.177 1.00 0.00 C ATOM 1194 NZ LYS A 77 -1.559 12.871 4.206 1.00 0.00 N ATOM 0 H LYS A 77 -7.365 11.458 5.048 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.900 12.207 7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.541 13.578 5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.070 14.376 6.488 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.538 12.529 7.059 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.093 11.593 5.686 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.197 13.369 4.138 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.602 14.258 5.526 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.142 12.385 6.179 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.836 11.355 4.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.712 12.269 4.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.954 12.833 3.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.300 13.852 4.435 1.00 0.00 H new ATOM 1208 N GLU A 78 -9.631 13.489 6.699 1.00 0.00 N ATOM 1209 CA GLU A 78 -10.828 14.168 7.202 1.00 0.00 C ATOM 1210 C GLU A 78 -11.244 13.723 8.617 1.00 0.00 C ATOM 1211 O GLU A 78 -11.630 14.561 9.436 1.00 0.00 O ATOM 1212 CB GLU A 78 -11.974 13.944 6.200 1.00 0.00 C ATOM 1213 CG GLU A 78 -13.258 14.687 6.595 1.00 0.00 C ATOM 1214 CD GLU A 78 -14.327 14.603 5.487 1.00 0.00 C ATOM 1215 OE1 GLU A 78 -14.049 15.016 4.334 1.00 0.00 O ATOM 1216 OE2 GLU A 78 -15.461 14.142 5.759 1.00 0.00 O ATOM 0 H GLU A 78 -9.803 12.941 5.856 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.594 15.229 7.292 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -11.657 14.275 5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.184 12.877 6.127 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.655 14.263 7.517 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.026 15.732 6.799 1.00 0.00 H new ATOM 1223 N TYR A 79 -11.149 12.423 8.911 1.00 0.00 N ATOM 1224 CA TYR A 79 -11.564 11.817 10.185 1.00 0.00 C ATOM 1225 C TYR A 79 -10.369 11.343 11.022 1.00 0.00 C ATOM 1226 O TYR A 79 -10.409 11.429 12.251 1.00 0.00 O ATOM 1227 CB TYR A 79 -12.529 10.640 9.967 1.00 0.00 C ATOM 1228 CG TYR A 79 -12.973 10.385 8.543 1.00 0.00 C ATOM 1229 CD1 TYR A 79 -12.175 9.589 7.696 1.00 0.00 C ATOM 1230 CD2 TYR A 79 -14.175 10.951 8.073 1.00 0.00 C ATOM 1231 CE1 TYR A 79 -12.623 9.324 6.387 1.00 0.00 C ATOM 1232 CE2 TYR A 79 -14.596 10.715 6.752 1.00 0.00 C ATOM 1233 CZ TYR A 79 -13.825 9.891 5.907 1.00 0.00 C ATOM 1234 OH TYR A 79 -14.241 9.650 4.634 1.00 0.00 O ATOM 0 H TYR A 79 -10.771 11.742 8.253 1.00 0.00 H new ATOM 0 HA TYR A 79 -12.079 12.604 10.735 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -12.053 9.734 10.343 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -13.417 10.810 10.576 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -11.235 9.189 8.045 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -14.774 11.567 8.728 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.042 8.681 5.743 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -15.508 11.164 6.386 1.00 0.00 H new ATOM 0 HH TYR A 79 -15.087 10.117 4.472 1.00 0.00 H new ATOM 1244 N LEU A 80 -9.308 10.853 10.361 1.00 0.00 N ATOM 1245 CA LEU A 80 -8.045 10.435 10.972 1.00 0.00 C ATOM 1246 C LEU A 80 -7.498 11.482 11.965 1.00 0.00 C ATOM 1247 O LEU A 80 -7.125 11.159 13.097 1.00 0.00 O ATOM 1248 CB LEU A 80 -7.012 10.174 9.849 1.00 0.00 C ATOM 1249 CG LEU A 80 -6.004 9.035 10.088 1.00 0.00 C ATOM 1250 CD1 LEU A 80 -5.441 8.960 11.505 1.00 0.00 C ATOM 1251 CD2 LEU A 80 -6.653 7.700 9.721 1.00 0.00 C ATOM 0 H LEU A 80 -9.311 10.734 9.348 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.227 9.525 11.543 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.556 9.959 8.929 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.452 11.094 9.681 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.150 9.254 9.447 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.741 8.127 11.575 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.923 9.890 11.740 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.256 8.809 12.213 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.942 6.891 9.889 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.535 7.542 10.341 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.945 7.714 8.671 1.00 0.00 H new ATOM 1263 N LYS A 81 -7.428 12.738 11.505 1.00 0.00 N ATOM 1264 CA LYS A 81 -6.811 13.880 12.204 1.00 0.00 C ATOM 1265 C LYS A 81 -7.743 14.508 13.253 1.00 0.00 C ATOM 1266 O LYS A 81 -7.298 14.669 14.413 1.00 0.00 O ATOM 1267 CB LYS A 81 -6.334 14.933 11.184 1.00 0.00 C ATOM 1268 CG LYS A 81 -5.336 14.417 10.125 1.00 0.00 C ATOM 1269 CD LYS A 81 -4.069 13.740 10.675 1.00 0.00 C ATOM 1270 CE LYS A 81 -3.276 14.659 11.617 1.00 0.00 C ATOM 1271 NZ LYS A 81 -1.996 14.035 12.043 1.00 0.00 N ATOM 1272 OXT LYS A 81 -8.897 14.859 12.917 1.00 0.00 O ATOM 0 H LYS A 81 -7.815 13.000 10.598 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.949 13.498 12.751 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.206 15.340 10.671 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.870 15.757 11.726 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.854 13.707 9.480 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.034 15.256 9.498 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.348 12.831 11.208 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -3.431 13.439 9.844 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.071 15.605 11.116 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.879 14.888 12.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.488 14.684 12.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.193 13.145 12.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.410 13.839 11.206 1.00 0.00 H new TER 1286 LYS A 81