USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 729 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.484 K(o=-0.48,f=-2) USER MOD Single : A 9 SER OG : rot 31:sc= 0.806 USER MOD Single : A 10 THR OG1 : rot 59:sc= 0.669 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 148:sc= 0.663 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 100:sc= -0.821 USER MOD Single : A 22 ASN : amide:sc= 0.501 K(o=0.5,f=0) USER MOD Single : A 24 SER OG : rot -100:sc= -1.45 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0363 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.922 K(o=-0.92,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.262 K(o=-0.26,f=-0.87) USER MOD Single : A 47 ASN : amide:sc= -0.304 X(o=-0.3,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.12) USER MOD Single : A 49 ASN : amide:sc= -1.47 K(o=-1.5,f=-0.68) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.39 USER MOD Single : A 62 SER OG : rot 38:sc= 1.26 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.6 X(o=-1.6,f=-2!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 177:sc= -1.16 USER MOD Single : A 74 ASN : amide:sc= -0.859 K(o=-0.86,f=-1.4) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -1.48 K(o=-1.5,f=0.084) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 29:sc= 0.272 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.405 4.125 -19.924 1.00 0.00 N ATOM 2 CA GLY A 1 -29.968 4.054 -19.734 1.00 0.00 C ATOM 3 C GLY A 1 -29.478 5.004 -18.660 1.00 0.00 C ATOM 4 O GLY A 1 -29.847 6.179 -18.645 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.690 3.457 -20.668 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.885 3.879 -19.035 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.671 5.090 -20.205 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.690 3.034 -19.467 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.468 4.285 -20.675 1.00 0.00 H new ATOM 8 N SER A 2 -28.646 4.495 -17.757 1.00 0.00 N ATOM 9 CA SER A 2 -28.109 5.306 -16.670 1.00 0.00 C ATOM 10 C SER A 2 -26.829 4.688 -16.113 1.00 0.00 C ATOM 11 O SER A 2 -26.761 3.482 -15.877 1.00 0.00 O ATOM 12 CB SER A 2 -29.145 5.452 -15.554 1.00 0.00 C ATOM 13 OG SER A 2 -28.621 6.191 -14.465 1.00 0.00 O ATOM 0 H SER A 2 -28.329 3.525 -17.756 1.00 0.00 H new ATOM 0 HA SER A 2 -27.873 6.293 -17.068 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.034 5.950 -15.941 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.457 4.465 -15.211 1.00 0.00 H new ATOM 0 HG SER A 2 -29.303 6.272 -13.766 1.00 0.00 H new ATOM 19 N SER A 3 -25.818 5.525 -15.905 1.00 0.00 N ATOM 20 CA SER A 3 -24.539 5.063 -15.380 1.00 0.00 C ATOM 21 C SER A 3 -23.602 6.238 -15.117 1.00 0.00 C ATOM 22 O SER A 3 -23.792 7.329 -15.652 1.00 0.00 O ATOM 23 CB SER A 3 -23.885 4.084 -16.358 1.00 0.00 C ATOM 24 OG SER A 3 -23.322 4.769 -17.464 1.00 0.00 O ATOM 0 H SER A 3 -25.860 6.527 -16.092 1.00 0.00 H new ATOM 0 HA SER A 3 -24.726 4.552 -14.436 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.109 3.516 -15.845 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.626 3.366 -16.709 1.00 0.00 H new ATOM 0 HG SER A 3 -22.909 4.122 -18.073 1.00 0.00 H new ATOM 30 N GLY A 4 -22.590 6.006 -14.287 1.00 0.00 N ATOM 31 CA GLY A 4 -21.638 7.054 -13.966 1.00 0.00 C ATOM 32 C GLY A 4 -21.035 6.886 -12.585 1.00 0.00 C ATOM 33 O GLY A 4 -21.734 6.995 -11.578 1.00 0.00 O ATOM 0 H GLY A 4 -22.412 5.111 -13.831 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.841 7.057 -14.709 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.134 8.023 -14.027 1.00 0.00 H new ATOM 37 N SER A 5 -19.734 6.620 -12.538 1.00 0.00 N ATOM 38 CA SER A 5 -19.037 6.431 -11.271 1.00 0.00 C ATOM 39 C SER A 5 -17.779 7.292 -11.209 1.00 0.00 C ATOM 40 O SER A 5 -17.043 7.405 -12.189 1.00 0.00 O ATOM 41 CB SER A 5 -18.671 4.958 -11.080 1.00 0.00 C ATOM 42 OG SER A 5 -17.559 4.601 -11.882 1.00 0.00 O ATOM 0 H SER A 5 -19.141 6.530 -13.363 1.00 0.00 H new ATOM 0 HA SER A 5 -19.706 6.738 -10.467 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.442 4.770 -10.031 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.525 4.331 -11.337 1.00 0.00 H new ATOM 0 HG SER A 5 -17.344 3.655 -11.741 1.00 0.00 H new ATOM 48 N SER A 6 -17.539 7.896 -10.050 1.00 0.00 N ATOM 49 CA SER A 6 -16.373 8.750 -9.860 1.00 0.00 C ATOM 50 C SER A 6 -16.182 9.089 -8.385 1.00 0.00 C ATOM 51 O SER A 6 -17.106 8.962 -7.583 1.00 0.00 O ATOM 52 CB SER A 6 -16.517 10.036 -10.676 1.00 0.00 C ATOM 53 OG SER A 6 -15.288 10.737 -10.745 1.00 0.00 O ATOM 0 H SER A 6 -18.137 7.810 -9.228 1.00 0.00 H new ATOM 0 HA SER A 6 -15.495 8.205 -10.206 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.859 9.795 -11.683 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.278 10.673 -10.225 1.00 0.00 H new ATOM 0 HG SER A 6 -15.407 11.554 -11.273 1.00 0.00 H new ATOM 59 N GLY A 7 -14.975 9.522 -8.035 1.00 0.00 N ATOM 60 CA GLY A 7 -14.684 9.873 -6.657 1.00 0.00 C ATOM 61 C GLY A 7 -13.451 10.746 -6.529 1.00 0.00 C ATOM 62 O GLY A 7 -12.344 10.319 -6.855 1.00 0.00 O ATOM 0 H GLY A 7 -14.194 9.636 -8.681 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.540 10.394 -6.229 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.542 8.962 -6.075 1.00 0.00 H new ATOM 66 N ASN A 8 -13.642 11.973 -6.055 1.00 0.00 N ATOM 67 CA ASN A 8 -12.536 12.909 -5.888 1.00 0.00 C ATOM 68 C ASN A 8 -12.590 13.574 -4.516 1.00 0.00 C ATOM 69 O ASN A 8 -12.377 14.780 -4.391 1.00 0.00 O ATOM 70 CB ASN A 8 -12.572 13.974 -6.986 1.00 0.00 C ATOM 71 CG ASN A 8 -11.334 14.851 -6.980 1.00 0.00 C ATOM 72 OD1 ASN A 8 -10.348 14.548 -6.309 1.00 0.00 O ATOM 73 ND2 ASN A 8 -11.382 15.945 -7.731 1.00 0.00 N ATOM 0 H ASN A 8 -14.552 12.342 -5.780 1.00 0.00 H new ATOM 0 HA ASN A 8 -11.604 12.350 -5.965 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -12.665 13.488 -7.957 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -13.457 14.597 -6.855 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -10.580 16.574 -7.768 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -12.221 16.156 -8.271 1.00 0.00 H new ATOM 80 N SER A 9 -12.876 12.779 -3.490 1.00 0.00 N ATOM 81 CA SER A 9 -12.961 13.292 -2.127 1.00 0.00 C ATOM 82 C SER A 9 -11.718 14.102 -1.773 1.00 0.00 C ATOM 83 O SER A 9 -10.639 13.548 -1.564 1.00 0.00 O ATOM 84 CB SER A 9 -13.132 12.138 -1.136 1.00 0.00 C ATOM 85 OG SER A 9 -12.027 11.252 -1.190 1.00 0.00 O ATOM 0 H SER A 9 -13.053 11.778 -3.576 1.00 0.00 H new ATOM 0 HA SER A 9 -13.830 13.947 -2.064 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.236 12.534 -0.126 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.050 11.594 -1.361 1.00 0.00 H new ATOM 0 HG SER A 9 -11.219 11.751 -1.432 1.00 0.00 H new ATOM 91 N THR A 10 -11.878 15.420 -1.706 1.00 0.00 N ATOM 92 CA THR A 10 -10.771 16.309 -1.379 1.00 0.00 C ATOM 93 C THR A 10 -11.015 17.028 -0.056 1.00 0.00 C ATOM 94 O THR A 10 -11.869 17.909 0.033 1.00 0.00 O ATOM 95 CB THR A 10 -10.545 17.357 -2.485 1.00 0.00 C ATOM 96 OG1 THR A 10 -10.277 16.703 -3.731 1.00 0.00 O ATOM 97 CG2 THR A 10 -9.388 18.278 -2.130 1.00 0.00 C ATOM 0 H THR A 10 -12.765 15.895 -1.874 1.00 0.00 H new ATOM 0 HA THR A 10 -9.881 15.686 -1.292 1.00 0.00 H new ATOM 0 HB THR A 10 -11.450 17.957 -2.577 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.032 16.124 -3.965 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.248 19.009 -2.926 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.608 18.796 -1.196 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.478 17.690 -2.013 1.00 0.00 H new ATOM 105 N TRP A 11 -10.259 16.646 0.967 1.00 0.00 N ATOM 106 CA TRP A 11 -10.394 17.255 2.285 1.00 0.00 C ATOM 107 C TRP A 11 -9.643 18.581 2.351 1.00 0.00 C ATOM 108 O TRP A 11 -8.687 18.801 1.608 1.00 0.00 O ATOM 109 CB TRP A 11 -9.873 16.305 3.364 1.00 0.00 C ATOM 110 CG TRP A 11 -8.407 16.462 3.636 1.00 0.00 C ATOM 111 CD1 TRP A 11 -7.423 16.692 2.718 1.00 0.00 C ATOM 112 CD2 TRP A 11 -7.760 16.397 4.912 1.00 0.00 C ATOM 113 NE1 TRP A 11 -6.204 16.774 3.345 1.00 0.00 N ATOM 114 CE2 TRP A 11 -6.384 16.598 4.692 1.00 0.00 C ATOM 115 CE3 TRP A 11 -8.210 16.192 6.219 1.00 0.00 C ATOM 116 CZ2 TRP A 11 -5.456 16.597 5.730 1.00 0.00 C ATOM 117 CZ3 TRP A 11 -7.289 16.191 7.248 1.00 0.00 C ATOM 118 CH2 TRP A 11 -5.925 16.393 7.000 1.00 0.00 C ATOM 0 H TRP A 11 -9.547 15.918 0.909 1.00 0.00 H new ATOM 0 HA TRP A 11 -11.452 17.449 2.462 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -10.427 16.476 4.287 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -10.071 15.277 3.060 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -7.580 16.794 1.654 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.310 16.939 2.883 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -9.260 16.037 6.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.404 16.752 5.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -7.626 16.032 8.262 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -5.230 16.388 7.827 1.00 0.00 H new ATOM 129 N SER A 12 -10.081 19.461 3.246 1.00 0.00 N ATOM 130 CA SER A 12 -9.452 20.766 3.406 1.00 0.00 C ATOM 131 C SER A 12 -8.233 20.673 4.319 1.00 0.00 C ATOM 132 O SER A 12 -8.295 21.028 5.495 1.00 0.00 O ATOM 133 CB SER A 12 -10.454 21.772 3.975 1.00 0.00 C ATOM 134 OG SER A 12 -9.827 23.011 4.259 1.00 0.00 O ATOM 0 H SER A 12 -10.869 19.293 3.871 1.00 0.00 H new ATOM 0 HA SER A 12 -9.124 21.107 2.424 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.264 21.926 3.262 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.901 21.370 4.884 1.00 0.00 H new ATOM 0 HG SER A 12 -10.489 23.637 4.620 1.00 0.00 H new ATOM 140 N GLY A 13 -7.123 20.192 3.767 1.00 0.00 N ATOM 141 CA GLY A 13 -5.905 20.060 4.544 1.00 0.00 C ATOM 142 C GLY A 13 -4.764 19.469 3.739 1.00 0.00 C ATOM 143 O GLY A 13 -4.796 19.477 2.509 1.00 0.00 O ATOM 0 H GLY A 13 -7.046 19.891 2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.610 21.039 4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.098 19.429 5.412 1.00 0.00 H new ATOM 147 N GLU A 14 -3.753 18.958 4.435 1.00 0.00 N ATOM 148 CA GLU A 14 -2.597 18.363 3.776 1.00 0.00 C ATOM 149 C GLU A 14 -1.933 17.324 4.674 1.00 0.00 C ATOM 150 O GLU A 14 -1.571 17.614 5.814 1.00 0.00 O ATOM 151 CB GLU A 14 -1.585 19.446 3.397 1.00 0.00 C ATOM 152 CG GLU A 14 -0.783 19.970 4.577 1.00 0.00 C ATOM 153 CD GLU A 14 -0.116 21.300 4.285 1.00 0.00 C ATOM 154 OE1 GLU A 14 0.919 21.303 3.586 1.00 0.00 O ATOM 155 OE2 GLU A 14 -0.628 22.337 4.754 1.00 0.00 O ATOM 0 H GLU A 14 -3.711 18.944 5.454 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.944 17.866 2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.898 19.045 2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.113 20.277 2.930 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.441 20.080 5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.022 19.238 4.848 1.00 0.00 H new ATOM 162 N SER A 15 -1.778 16.111 4.152 1.00 0.00 N ATOM 163 CA SER A 15 -1.162 15.027 4.907 1.00 0.00 C ATOM 164 C SER A 15 -0.417 14.072 3.979 1.00 0.00 C ATOM 165 O SER A 15 -0.995 13.523 3.041 1.00 0.00 O ATOM 166 CB SER A 15 -2.224 14.261 5.699 1.00 0.00 C ATOM 167 OG SER A 15 -1.639 13.224 6.467 1.00 0.00 O ATOM 0 H SER A 15 -2.071 15.855 3.209 1.00 0.00 H new ATOM 0 HA SER A 15 -0.445 15.464 5.602 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.757 14.948 6.356 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.959 13.840 5.014 1.00 0.00 H new ATOM 0 HG SER A 15 -2.154 13.097 7.291 1.00 0.00 H new ATOM 173 N LYS A 16 0.870 13.879 4.247 1.00 0.00 N ATOM 174 CA LYS A 16 1.696 12.991 3.439 1.00 0.00 C ATOM 175 C LYS A 16 1.586 11.551 3.928 1.00 0.00 C ATOM 176 O LYS A 16 1.874 10.609 3.189 1.00 0.00 O ATOM 177 CB LYS A 16 3.157 13.444 3.477 1.00 0.00 C ATOM 178 CG LYS A 16 3.936 12.889 4.657 1.00 0.00 C ATOM 179 CD LYS A 16 5.345 13.455 4.711 1.00 0.00 C ATOM 180 CE LYS A 16 5.349 14.892 5.208 1.00 0.00 C ATOM 181 NZ LYS A 16 5.321 14.965 6.696 1.00 0.00 N ATOM 0 H LYS A 16 1.364 14.327 5.019 1.00 0.00 H new ATOM 0 HA LYS A 16 1.335 13.036 2.411 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.647 13.138 2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.190 14.533 3.510 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.412 13.125 5.583 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.982 11.802 4.585 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.960 12.840 5.368 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.794 13.411 3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.237 15.402 4.836 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.485 15.419 4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.325 15.961 6.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.461 14.500 7.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.158 14.484 7.083 1.00 0.00 H new ATOM 195 N THR A 17 1.168 11.386 5.179 1.00 0.00 N ATOM 196 CA THR A 17 1.020 10.060 5.767 1.00 0.00 C ATOM 197 C THR A 17 -0.357 9.478 5.473 1.00 0.00 C ATOM 198 O THR A 17 -1.380 10.073 5.816 1.00 0.00 O ATOM 199 CB THR A 17 1.235 10.095 7.292 1.00 0.00 C ATOM 200 OG1 THR A 17 2.559 10.553 7.590 1.00 0.00 O ATOM 201 CG2 THR A 17 1.020 8.718 7.901 1.00 0.00 C ATOM 0 H THR A 17 0.926 12.154 5.805 1.00 0.00 H new ATOM 0 HA THR A 17 1.783 9.427 5.314 1.00 0.00 H new ATOM 0 HB THR A 17 0.508 10.783 7.723 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.687 10.574 8.561 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.177 8.768 8.978 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.002 8.385 7.698 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.726 8.012 7.464 1.00 0.00 H new ATOM 209 N LEU A 18 -0.378 8.313 4.836 1.00 0.00 N ATOM 210 CA LEU A 18 -1.632 7.649 4.496 1.00 0.00 C ATOM 211 C LEU A 18 -1.931 6.516 5.472 1.00 0.00 C ATOM 212 O LEU A 18 -1.025 5.816 5.924 1.00 0.00 O ATOM 213 CB LEU A 18 -1.572 7.104 3.068 1.00 0.00 C ATOM 214 CG LEU A 18 -0.963 8.035 2.019 1.00 0.00 C ATOM 215 CD1 LEU A 18 -0.826 7.319 0.684 1.00 0.00 C ATOM 216 CD2 LEU A 18 -1.807 9.293 1.868 1.00 0.00 C ATOM 0 H LEU A 18 0.459 7.808 4.544 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.434 8.384 4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.999 6.177 3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.585 6.850 2.755 1.00 0.00 H new ATOM 0 HG LEU A 18 0.032 8.327 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.391 7.997 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.180 6.449 0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.809 6.996 0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.359 9.944 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.815 9.020 1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.853 9.817 2.823 1.00 0.00 H new ATOM 228 N VAL A 19 -3.209 6.340 5.793 1.00 0.00 N ATOM 229 CA VAL A 19 -3.629 5.290 6.713 1.00 0.00 C ATOM 230 C VAL A 19 -4.347 4.166 5.974 1.00 0.00 C ATOM 231 O VAL A 19 -5.408 4.376 5.384 1.00 0.00 O ATOM 232 CB VAL A 19 -4.557 5.843 7.811 1.00 0.00 C ATOM 233 CG1 VAL A 19 -4.761 4.810 8.909 1.00 0.00 C ATOM 234 CG2 VAL A 19 -3.994 7.136 8.382 1.00 0.00 C ATOM 0 H VAL A 19 -3.972 6.911 5.429 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.725 4.896 7.177 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.528 6.061 7.366 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.419 5.219 9.676 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.211 3.912 8.485 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.799 4.557 9.354 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.662 7.513 9.156 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.011 6.946 8.812 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.905 7.877 7.587 1.00 0.00 H new ATOM 244 N LEU A 20 -3.764 2.974 6.011 1.00 0.00 N ATOM 245 CA LEU A 20 -4.349 1.815 5.345 1.00 0.00 C ATOM 246 C LEU A 20 -5.260 1.044 6.295 1.00 0.00 C ATOM 247 O LEU A 20 -4.913 0.811 7.452 1.00 0.00 O ATOM 248 CB LEU A 20 -3.246 0.894 4.818 1.00 0.00 C ATOM 249 CG LEU A 20 -3.690 -0.188 3.833 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.504 -0.689 3.022 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.359 -1.338 4.570 1.00 0.00 C ATOM 0 H LEU A 20 -2.887 2.784 6.495 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.947 2.172 4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.487 1.509 4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.768 0.409 5.669 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.416 0.247 3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.838 -1.459 2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.068 0.140 2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.755 -1.108 3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.668 -2.099 3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.656 -1.773 5.280 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.233 -0.967 5.106 1.00 0.00 H new ATOM 263 N SER A 21 -6.427 0.649 5.796 1.00 0.00 N ATOM 264 CA SER A 21 -7.390 -0.095 6.600 1.00 0.00 C ATOM 265 C SER A 21 -7.774 -1.403 5.915 1.00 0.00 C ATOM 266 O SER A 21 -7.843 -1.477 4.689 1.00 0.00 O ATOM 267 CB SER A 21 -8.640 0.750 6.849 1.00 0.00 C ATOM 268 OG SER A 21 -9.169 1.249 5.633 1.00 0.00 O ATOM 0 H SER A 21 -6.729 0.832 4.839 1.00 0.00 H new ATOM 0 HA SER A 21 -6.923 -0.330 7.557 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.394 0.149 7.357 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.395 1.581 7.511 1.00 0.00 H new ATOM 0 HG SER A 21 -9.926 0.693 5.353 1.00 0.00 H new ATOM 274 N ASN A 22 -8.024 -2.433 6.717 1.00 0.00 N ATOM 275 CA ASN A 22 -8.402 -3.739 6.190 1.00 0.00 C ATOM 276 C ASN A 22 -7.224 -4.400 5.480 1.00 0.00 C ATOM 277 O ASN A 22 -7.354 -4.880 4.353 1.00 0.00 O ATOM 278 CB ASN A 22 -9.581 -3.601 5.224 1.00 0.00 C ATOM 279 CG ASN A 22 -10.350 -4.898 5.062 1.00 0.00 C ATOM 280 OD1 ASN A 22 -11.071 -5.322 5.964 1.00 0.00 O ATOM 281 ND2 ASN A 22 -10.198 -5.534 3.906 1.00 0.00 N ATOM 0 H ASN A 22 -7.972 -2.388 7.735 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.699 -4.369 7.028 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.255 -2.825 5.586 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.214 -3.275 4.251 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.690 -6.412 3.738 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.589 -5.145 3.186 1.00 0.00 H new ATOM 288 N LEU A 23 -6.075 -4.421 6.147 1.00 0.00 N ATOM 289 CA LEU A 23 -4.873 -5.024 5.581 1.00 0.00 C ATOM 290 C LEU A 23 -4.856 -6.531 5.818 1.00 0.00 C ATOM 291 O LEU A 23 -5.136 -6.999 6.921 1.00 0.00 O ATOM 292 CB LEU A 23 -3.623 -4.387 6.190 1.00 0.00 C ATOM 293 CG LEU A 23 -2.338 -4.512 5.371 1.00 0.00 C ATOM 294 CD1 LEU A 23 -1.170 -3.880 6.112 1.00 0.00 C ATOM 295 CD2 LEU A 23 -2.046 -5.972 5.058 1.00 0.00 C ATOM 0 H LEU A 23 -5.950 -4.028 7.080 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.878 -4.844 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.823 -3.328 6.355 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.451 -4.835 7.169 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.476 -3.980 4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.264 -3.978 5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.378 -2.824 6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.030 -4.384 7.068 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.128 -6.042 4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.928 -6.527 5.989 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.873 -6.394 4.486 1.00 0.00 H new ATOM 307 N SER A 24 -4.524 -7.285 4.775 1.00 0.00 N ATOM 308 CA SER A 24 -4.472 -8.739 4.869 1.00 0.00 C ATOM 309 C SER A 24 -3.294 -9.186 5.730 1.00 0.00 C ATOM 310 O SER A 24 -2.161 -8.750 5.527 1.00 0.00 O ATOM 311 CB SER A 24 -4.361 -9.358 3.474 1.00 0.00 C ATOM 312 OG SER A 24 -3.148 -8.983 2.844 1.00 0.00 O ATOM 0 H SER A 24 -4.287 -6.913 3.855 1.00 0.00 H new ATOM 0 HA SER A 24 -5.394 -9.081 5.339 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.414 -10.444 3.549 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.205 -9.039 2.863 1.00 0.00 H new ATOM 0 HG SER A 24 -3.319 -8.254 2.212 1.00 0.00 H new ATOM 318 N TYR A 25 -3.572 -10.058 6.693 1.00 0.00 N ATOM 319 CA TYR A 25 -2.537 -10.563 7.588 1.00 0.00 C ATOM 320 C TYR A 25 -1.434 -11.266 6.804 1.00 0.00 C ATOM 321 O TYR A 25 -0.325 -11.455 7.304 1.00 0.00 O ATOM 322 CB TYR A 25 -3.144 -11.525 8.611 1.00 0.00 C ATOM 323 CG TYR A 25 -4.583 -11.215 8.955 1.00 0.00 C ATOM 324 CD1 TYR A 25 -4.898 -10.232 9.885 1.00 0.00 C ATOM 325 CD2 TYR A 25 -5.627 -11.905 8.351 1.00 0.00 C ATOM 326 CE1 TYR A 25 -6.212 -9.946 10.204 1.00 0.00 C ATOM 327 CE2 TYR A 25 -6.943 -11.624 8.663 1.00 0.00 C ATOM 328 CZ TYR A 25 -7.230 -10.644 9.589 1.00 0.00 C ATOM 329 OH TYR A 25 -8.540 -10.362 9.903 1.00 0.00 O ATOM 0 H TYR A 25 -4.505 -10.430 6.874 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.099 -9.714 8.112 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.083 -12.541 8.222 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.547 -11.496 9.523 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.103 -9.682 10.367 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.406 -12.674 7.625 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.440 -9.180 10.931 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.743 -12.169 8.184 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.134 -10.942 9.381 1.00 0.00 H new ATOM 339 N SER A 26 -1.746 -11.651 5.570 1.00 0.00 N ATOM 340 CA SER A 26 -0.783 -12.336 4.716 1.00 0.00 C ATOM 341 C SER A 26 0.104 -11.333 3.985 1.00 0.00 C ATOM 342 O SER A 26 1.091 -11.707 3.352 1.00 0.00 O ATOM 343 CB SER A 26 -1.509 -13.224 3.703 1.00 0.00 C ATOM 344 OG SER A 26 -1.764 -14.509 4.243 1.00 0.00 O ATOM 0 H SER A 26 -2.658 -11.500 5.140 1.00 0.00 H new ATOM 0 HA SER A 26 -0.152 -12.960 5.349 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.449 -12.755 3.412 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.906 -13.319 2.800 1.00 0.00 H new ATOM 0 HG SER A 26 -2.230 -15.057 3.577 1.00 0.00 H new ATOM 350 N ALA A 27 -0.255 -10.057 4.077 1.00 0.00 N ATOM 351 CA ALA A 27 0.509 -8.999 3.427 1.00 0.00 C ATOM 352 C ALA A 27 1.427 -8.295 4.421 1.00 0.00 C ATOM 353 O ALA A 27 1.040 -8.029 5.559 1.00 0.00 O ATOM 354 CB ALA A 27 -0.430 -7.997 2.772 1.00 0.00 C ATOM 0 H ALA A 27 -1.070 -9.731 4.596 1.00 0.00 H new ATOM 0 HA ALA A 27 1.132 -9.454 2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.154 -7.212 2.290 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.041 -8.505 2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.076 -7.555 3.530 1.00 0.00 H new ATOM 360 N THR A 28 2.646 -7.996 3.983 1.00 0.00 N ATOM 361 CA THR A 28 3.620 -7.325 4.835 1.00 0.00 C ATOM 362 C THR A 28 4.280 -6.162 4.103 1.00 0.00 C ATOM 363 O THR A 28 4.012 -5.925 2.926 1.00 0.00 O ATOM 364 CB THR A 28 4.712 -8.299 5.316 1.00 0.00 C ATOM 365 OG1 THR A 28 5.645 -8.550 4.260 1.00 0.00 O ATOM 366 CG2 THR A 28 4.098 -9.612 5.780 1.00 0.00 C ATOM 0 H THR A 28 2.982 -8.208 3.044 1.00 0.00 H new ATOM 0 HA THR A 28 3.075 -6.946 5.700 1.00 0.00 H new ATOM 0 HB THR A 28 5.232 -7.841 6.157 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.337 -9.169 4.575 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.888 -10.285 6.115 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.410 -9.421 6.604 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.556 -10.072 4.954 1.00 0.00 H new ATOM 374 N GLU A 29 5.145 -5.439 4.809 1.00 0.00 N ATOM 375 CA GLU A 29 5.843 -4.300 4.225 1.00 0.00 C ATOM 376 C GLU A 29 6.314 -4.618 2.808 1.00 0.00 C ATOM 377 O GLU A 29 6.480 -3.721 1.983 1.00 0.00 O ATOM 378 CB GLU A 29 7.039 -3.905 5.095 1.00 0.00 C ATOM 379 CG GLU A 29 6.701 -2.882 6.166 1.00 0.00 C ATOM 380 CD GLU A 29 7.607 -2.984 7.377 1.00 0.00 C ATOM 381 OE1 GLU A 29 8.086 -4.100 7.668 1.00 0.00 O ATOM 382 OE2 GLU A 29 7.839 -1.947 8.033 1.00 0.00 O ATOM 0 H GLU A 29 5.378 -5.622 5.785 1.00 0.00 H new ATOM 0 HA GLU A 29 5.145 -3.464 4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.441 -4.799 5.572 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.825 -3.503 4.456 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.777 -1.880 5.743 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.666 -3.018 6.479 1.00 0.00 H new ATOM 389 N GLU A 30 6.526 -5.902 2.536 1.00 0.00 N ATOM 390 CA GLU A 30 6.979 -6.338 1.220 1.00 0.00 C ATOM 391 C GLU A 30 5.890 -6.125 0.172 1.00 0.00 C ATOM 392 O GLU A 30 6.137 -5.550 -0.889 1.00 0.00 O ATOM 393 CB GLU A 30 7.383 -7.813 1.259 1.00 0.00 C ATOM 394 CG GLU A 30 8.838 -8.036 1.636 1.00 0.00 C ATOM 395 CD GLU A 30 9.361 -9.382 1.173 1.00 0.00 C ATOM 396 OE1 GLU A 30 9.591 -9.542 -0.044 1.00 0.00 O ATOM 397 OE2 GLU A 30 9.540 -10.275 2.028 1.00 0.00 O ATOM 0 H GLU A 30 6.392 -6.657 3.208 1.00 0.00 H new ATOM 0 HA GLU A 30 7.846 -5.738 0.945 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.747 -8.336 1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.198 -8.258 0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.448 -7.244 1.201 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.945 -7.962 2.718 1.00 0.00 H new ATOM 404 N THR A 31 4.684 -6.592 0.477 1.00 0.00 N ATOM 405 CA THR A 31 3.557 -6.455 -0.438 1.00 0.00 C ATOM 406 C THR A 31 3.140 -4.996 -0.582 1.00 0.00 C ATOM 407 O THR A 31 2.635 -4.584 -1.627 1.00 0.00 O ATOM 408 CB THR A 31 2.345 -7.279 0.036 1.00 0.00 C ATOM 409 OG1 THR A 31 2.702 -8.663 0.135 1.00 0.00 O ATOM 410 CG2 THR A 31 1.175 -7.120 -0.922 1.00 0.00 C ATOM 0 H THR A 31 4.462 -7.069 1.351 1.00 0.00 H new ATOM 0 HA THR A 31 3.888 -6.833 -1.405 1.00 0.00 H new ATOM 0 HB THR A 31 2.044 -6.910 1.017 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.927 -9.180 0.439 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.331 -7.711 -0.567 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.887 -6.070 -0.973 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.467 -7.465 -1.914 1.00 0.00 H new ATOM 418 N LEU A 32 3.356 -4.217 0.473 1.00 0.00 N ATOM 419 CA LEU A 32 3.003 -2.802 0.464 1.00 0.00 C ATOM 420 C LEU A 32 4.034 -1.988 -0.311 1.00 0.00 C ATOM 421 O LEU A 32 3.692 -1.019 -0.989 1.00 0.00 O ATOM 422 CB LEU A 32 2.891 -2.275 1.895 1.00 0.00 C ATOM 423 CG LEU A 32 1.953 -3.047 2.824 1.00 0.00 C ATOM 424 CD1 LEU A 32 1.993 -2.464 4.228 1.00 0.00 C ATOM 425 CD2 LEU A 32 0.533 -3.034 2.278 1.00 0.00 C ATOM 0 H LEU A 32 3.774 -4.542 1.345 1.00 0.00 H new ATOM 0 HA LEU A 32 2.038 -2.697 -0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.887 -2.271 2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.557 -1.238 1.854 1.00 0.00 H new ATOM 0 HG LEU A 32 2.292 -4.082 2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.319 -3.026 4.875 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.008 -2.527 4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.680 -1.420 4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.121 -3.588 2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.183 -2.005 2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.518 -3.500 1.293 1.00 0.00 H new ATOM 437 N GLN A 33 5.297 -2.391 -0.208 1.00 0.00 N ATOM 438 CA GLN A 33 6.378 -1.699 -0.900 1.00 0.00 C ATOM 439 C GLN A 33 6.204 -1.794 -2.412 1.00 0.00 C ATOM 440 O GLN A 33 6.750 -0.984 -3.161 1.00 0.00 O ATOM 441 CB GLN A 33 7.730 -2.286 -0.493 1.00 0.00 C ATOM 442 CG GLN A 33 8.324 -1.641 0.750 1.00 0.00 C ATOM 443 CD GLN A 33 9.203 -0.450 0.425 1.00 0.00 C ATOM 444 OE1 GLN A 33 10.429 -0.528 0.509 1.00 0.00 O ATOM 445 NE2 GLN A 33 8.581 0.662 0.052 1.00 0.00 N ATOM 0 H GLN A 33 5.596 -3.192 0.348 1.00 0.00 H new ATOM 0 HA GLN A 33 6.345 -0.648 -0.614 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.614 -3.356 -0.317 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.430 -2.173 -1.321 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.517 -1.323 1.411 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.909 -2.382 1.295 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.563 0.682 -0.004 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.121 1.496 -0.178 1.00 0.00 H new ATOM 454 N GLU A 34 5.441 -2.789 -2.854 1.00 0.00 N ATOM 455 CA GLU A 34 5.197 -2.989 -4.278 1.00 0.00 C ATOM 456 C GLU A 34 4.064 -2.091 -4.767 1.00 0.00 C ATOM 457 O GLU A 34 4.094 -1.594 -5.894 1.00 0.00 O ATOM 458 CB GLU A 34 4.857 -4.455 -4.558 1.00 0.00 C ATOM 459 CG GLU A 34 5.946 -5.424 -4.130 1.00 0.00 C ATOM 460 CD GLU A 34 7.124 -5.437 -5.084 1.00 0.00 C ATOM 461 OE1 GLU A 34 8.055 -4.628 -4.889 1.00 0.00 O ATOM 462 OE2 GLU A 34 7.116 -6.258 -6.025 1.00 0.00 O ATOM 0 H GLU A 34 4.982 -3.468 -2.247 1.00 0.00 H new ATOM 0 HA GLU A 34 6.106 -2.724 -4.818 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.932 -4.710 -4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.671 -4.579 -5.625 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.294 -5.156 -3.133 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.527 -6.428 -4.062 1.00 0.00 H new ATOM 469 N VAL A 35 3.067 -1.887 -3.913 1.00 0.00 N ATOM 470 CA VAL A 35 1.925 -1.049 -4.257 1.00 0.00 C ATOM 471 C VAL A 35 2.287 0.430 -4.184 1.00 0.00 C ATOM 472 O VAL A 35 1.822 1.235 -4.992 1.00 0.00 O ATOM 473 CB VAL A 35 0.728 -1.320 -3.325 1.00 0.00 C ATOM 474 CG1 VAL A 35 -0.480 -0.503 -3.756 1.00 0.00 C ATOM 475 CG2 VAL A 35 0.398 -2.805 -3.302 1.00 0.00 C ATOM 0 H VAL A 35 3.027 -2.291 -2.977 1.00 0.00 H new ATOM 0 HA VAL A 35 1.644 -1.302 -5.279 1.00 0.00 H new ATOM 0 HB VAL A 35 1.000 -1.016 -2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.315 -0.708 -3.086 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.234 0.558 -3.716 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.757 -0.773 -4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.450 -2.979 -2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.145 -3.137 -4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.261 -3.364 -2.941 1.00 0.00 H new ATOM 485 N PHE A 36 3.120 0.782 -3.210 1.00 0.00 N ATOM 486 CA PHE A 36 3.545 2.166 -3.031 1.00 0.00 C ATOM 487 C PHE A 36 5.032 2.322 -3.334 1.00 0.00 C ATOM 488 O PHE A 36 5.883 1.922 -2.540 1.00 0.00 O ATOM 489 CB PHE A 36 3.253 2.630 -1.602 1.00 0.00 C ATOM 490 CG PHE A 36 1.812 2.482 -1.206 1.00 0.00 C ATOM 491 CD1 PHE A 36 0.892 3.473 -1.507 1.00 0.00 C ATOM 492 CD2 PHE A 36 1.377 1.351 -0.534 1.00 0.00 C ATOM 493 CE1 PHE A 36 -0.435 3.340 -1.143 1.00 0.00 C ATOM 494 CE2 PHE A 36 0.051 1.211 -0.168 1.00 0.00 C ATOM 495 CZ PHE A 36 -0.856 2.207 -0.474 1.00 0.00 C ATOM 0 H PHE A 36 3.514 0.129 -2.533 1.00 0.00 H new ATOM 0 HA PHE A 36 2.983 2.786 -3.730 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.872 2.059 -0.910 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.543 3.676 -1.502 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.215 4.360 -2.032 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.082 0.569 -0.293 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.142 4.121 -1.381 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.275 0.325 0.356 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.893 2.100 -0.191 1.00 0.00 H new ATOM 505 N GLU A 37 5.336 2.905 -4.489 1.00 0.00 N ATOM 506 CA GLU A 37 6.720 3.112 -4.898 1.00 0.00 C ATOM 507 C GLU A 37 7.247 4.448 -4.380 1.00 0.00 C ATOM 508 O GLU A 37 8.447 4.612 -4.161 1.00 0.00 O ATOM 509 CB GLU A 37 6.837 3.063 -6.423 1.00 0.00 C ATOM 510 CG GLU A 37 6.369 1.750 -7.027 1.00 0.00 C ATOM 511 CD GLU A 37 6.897 1.533 -8.432 1.00 0.00 C ATOM 512 OE1 GLU A 37 8.126 1.371 -8.585 1.00 0.00 O ATOM 513 OE2 GLU A 37 6.082 1.525 -9.378 1.00 0.00 O ATOM 0 H GLU A 37 4.643 3.242 -5.157 1.00 0.00 H new ATOM 0 HA GLU A 37 7.322 2.312 -4.468 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.253 3.878 -6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.876 3.233 -6.705 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.692 0.926 -6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.279 1.731 -7.045 1.00 0.00 H new ATOM 520 N LYS A 38 6.340 5.399 -4.187 1.00 0.00 N ATOM 521 CA LYS A 38 6.710 6.721 -3.694 1.00 0.00 C ATOM 522 C LYS A 38 6.779 6.733 -2.170 1.00 0.00 C ATOM 523 O LYS A 38 7.379 7.627 -1.574 1.00 0.00 O ATOM 524 CB LYS A 38 5.705 7.768 -4.178 1.00 0.00 C ATOM 525 CG LYS A 38 5.208 7.525 -5.592 1.00 0.00 C ATOM 526 CD LYS A 38 6.311 7.733 -6.616 1.00 0.00 C ATOM 527 CE LYS A 38 6.616 9.210 -6.814 1.00 0.00 C ATOM 528 NZ LYS A 38 5.748 9.820 -7.859 1.00 0.00 N ATOM 0 H LYS A 38 5.343 5.279 -4.364 1.00 0.00 H new ATOM 0 HA LYS A 38 7.697 6.965 -4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.852 7.782 -3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.168 8.754 -4.129 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.822 6.509 -5.673 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.379 8.199 -5.808 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.213 7.214 -6.291 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.014 7.291 -7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.476 9.739 -5.871 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.662 9.330 -7.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.987 10.827 -7.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.900 9.332 -8.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.751 9.728 -7.579 1.00 0.00 H new ATOM 542 N ALA A 39 6.161 5.736 -1.546 1.00 0.00 N ATOM 543 CA ALA A 39 6.155 5.631 -0.092 1.00 0.00 C ATOM 544 C ALA A 39 7.574 5.664 0.466 1.00 0.00 C ATOM 545 O ALA A 39 8.336 4.709 0.312 1.00 0.00 O ATOM 546 CB ALA A 39 5.445 4.358 0.342 1.00 0.00 C ATOM 0 H ALA A 39 5.658 4.989 -2.025 1.00 0.00 H new ATOM 0 HA ALA A 39 5.615 6.489 0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.448 4.293 1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.416 4.375 -0.018 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.961 3.493 -0.075 1.00 0.00 H new ATOM 552 N THR A 40 7.924 6.771 1.115 1.00 0.00 N ATOM 553 CA THR A 40 9.251 6.929 1.695 1.00 0.00 C ATOM 554 C THR A 40 9.455 5.980 2.870 1.00 0.00 C ATOM 555 O THR A 40 10.585 5.730 3.291 1.00 0.00 O ATOM 556 CB THR A 40 9.488 8.375 2.170 1.00 0.00 C ATOM 557 OG1 THR A 40 8.629 8.674 3.276 1.00 0.00 O ATOM 558 CG2 THR A 40 9.234 9.364 1.042 1.00 0.00 C ATOM 0 H THR A 40 7.306 7.571 1.252 1.00 0.00 H new ATOM 0 HA THR A 40 9.969 6.690 0.910 1.00 0.00 H new ATOM 0 HB THR A 40 10.528 8.465 2.483 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.787 9.594 3.573 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.408 10.378 1.401 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.910 9.152 0.213 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.203 9.271 0.702 1.00 0.00 H new ATOM 566 N PHE A 41 8.355 5.454 3.397 1.00 0.00 N ATOM 567 CA PHE A 41 8.413 4.532 4.526 1.00 0.00 C ATOM 568 C PHE A 41 7.058 3.867 4.755 1.00 0.00 C ATOM 569 O PHE A 41 6.019 4.528 4.732 1.00 0.00 O ATOM 570 CB PHE A 41 8.853 5.269 5.792 1.00 0.00 C ATOM 571 CG PHE A 41 9.381 4.358 6.863 1.00 0.00 C ATOM 572 CD1 PHE A 41 10.714 3.981 6.875 1.00 0.00 C ATOM 573 CD2 PHE A 41 8.544 3.879 7.858 1.00 0.00 C ATOM 574 CE1 PHE A 41 11.202 3.142 7.859 1.00 0.00 C ATOM 575 CE2 PHE A 41 9.026 3.040 8.845 1.00 0.00 C ATOM 576 CZ PHE A 41 10.357 2.672 8.846 1.00 0.00 C ATOM 0 H PHE A 41 7.412 5.650 3.061 1.00 0.00 H new ATOM 0 HA PHE A 41 9.144 3.757 4.293 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.623 5.995 5.531 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.007 5.831 6.188 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.379 4.347 6.107 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.502 4.165 7.862 1.00 0.00 H new ATOM 0 HE1 PHE A 41 12.243 2.854 7.856 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.363 2.673 9.614 1.00 0.00 H new ATOM 0 HZ PHE A 41 10.737 2.018 9.617 1.00 0.00 H new ATOM 586 N ILE A 42 7.079 2.557 4.977 1.00 0.00 N ATOM 587 CA ILE A 42 5.854 1.803 5.211 1.00 0.00 C ATOM 588 C ILE A 42 5.911 1.062 6.542 1.00 0.00 C ATOM 589 O ILE A 42 6.915 0.431 6.872 1.00 0.00 O ATOM 590 CB ILE A 42 5.592 0.789 4.082 1.00 0.00 C ATOM 591 CG1 ILE A 42 5.217 1.517 2.790 1.00 0.00 C ATOM 592 CG2 ILE A 42 4.494 -0.183 4.487 1.00 0.00 C ATOM 593 CD1 ILE A 42 5.308 0.645 1.557 1.00 0.00 C ATOM 0 H ILE A 42 7.931 1.996 5.000 1.00 0.00 H new ATOM 0 HA ILE A 42 5.038 2.526 5.235 1.00 0.00 H new ATOM 0 HB ILE A 42 6.505 0.221 3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.200 1.900 2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.872 2.379 2.665 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.320 -0.893 3.679 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.798 -0.722 5.384 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.576 0.369 4.689 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.028 1.227 0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.330 0.283 1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.632 -0.204 1.661 1.00 0.00 H new ATOM 605 N LYS A 43 4.824 1.140 7.304 1.00 0.00 N ATOM 606 CA LYS A 43 4.748 0.474 8.599 1.00 0.00 C ATOM 607 C LYS A 43 3.496 -0.393 8.691 1.00 0.00 C ATOM 608 O LYS A 43 2.397 0.047 8.353 1.00 0.00 O ATOM 609 CB LYS A 43 4.750 1.508 9.728 1.00 0.00 C ATOM 610 CG LYS A 43 5.144 0.933 11.077 1.00 0.00 C ATOM 611 CD LYS A 43 6.652 0.796 11.205 1.00 0.00 C ATOM 612 CE LYS A 43 7.030 -0.317 12.171 1.00 0.00 C ATOM 613 NZ LYS A 43 7.159 -1.630 11.481 1.00 0.00 N ATOM 0 H LYS A 43 3.984 1.658 7.046 1.00 0.00 H new ATOM 0 HA LYS A 43 5.622 -0.169 8.702 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.438 2.313 9.471 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.757 1.950 9.807 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.767 1.577 11.872 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.676 -0.043 11.208 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.084 0.592 10.226 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.076 1.739 11.550 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.972 -0.069 12.660 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.275 -0.391 12.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.417 -2.362 12.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.253 -1.879 11.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.897 -1.568 10.751 1.00 0.00 H new ATOM 627 N VAL A 44 3.670 -1.628 9.152 1.00 0.00 N ATOM 628 CA VAL A 44 2.554 -2.556 9.292 1.00 0.00 C ATOM 629 C VAL A 44 2.590 -3.259 10.644 1.00 0.00 C ATOM 630 O VAL A 44 3.332 -4.219 10.853 1.00 0.00 O ATOM 631 CB VAL A 44 2.563 -3.616 8.174 1.00 0.00 C ATOM 632 CG1 VAL A 44 3.923 -4.291 8.089 1.00 0.00 C ATOM 633 CG2 VAL A 44 1.463 -4.640 8.404 1.00 0.00 C ATOM 0 H VAL A 44 4.573 -2.009 9.435 1.00 0.00 H new ATOM 0 HA VAL A 44 1.640 -1.966 9.217 1.00 0.00 H new ATOM 0 HB VAL A 44 2.372 -3.119 7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.910 -5.036 7.294 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.687 -3.544 7.874 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.148 -4.777 9.038 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.483 -5.381 7.605 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.621 -5.135 9.362 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.495 -4.139 8.409 1.00 0.00 H new ATOM 643 N PRO A 45 1.769 -2.771 11.586 1.00 0.00 N ATOM 644 CA PRO A 45 1.687 -3.338 12.935 1.00 0.00 C ATOM 645 C PRO A 45 1.039 -4.718 12.946 1.00 0.00 C ATOM 646 O PRO A 45 -0.103 -4.880 12.515 1.00 0.00 O ATOM 647 CB PRO A 45 0.816 -2.332 13.691 1.00 0.00 C ATOM 648 CG PRO A 45 -0.007 -1.676 12.636 1.00 0.00 C ATOM 649 CD PRO A 45 0.858 -1.628 11.407 1.00 0.00 C ATOM 0 HA PRO A 45 2.673 -3.484 13.376 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.188 -2.829 14.431 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.426 -1.605 14.227 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -0.921 -2.239 12.448 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.307 -0.674 12.942 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.267 -1.724 10.496 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.403 -0.687 11.336 1.00 0.00 H new ATOM 657 N GLN A 46 1.774 -5.709 13.440 1.00 0.00 N ATOM 658 CA GLN A 46 1.269 -7.075 13.506 1.00 0.00 C ATOM 659 C GLN A 46 1.175 -7.552 14.951 1.00 0.00 C ATOM 660 O GLN A 46 1.649 -6.882 15.868 1.00 0.00 O ATOM 661 CB GLN A 46 2.172 -8.014 12.704 1.00 0.00 C ATOM 662 CG GLN A 46 2.241 -7.675 11.224 1.00 0.00 C ATOM 663 CD GLN A 46 3.178 -8.589 10.459 1.00 0.00 C ATOM 664 OE1 GLN A 46 4.088 -9.187 11.035 1.00 0.00 O ATOM 665 NE2 GLN A 46 2.961 -8.702 9.154 1.00 0.00 N ATOM 0 H GLN A 46 2.721 -5.591 13.800 1.00 0.00 H new ATOM 0 HA GLN A 46 0.269 -7.087 13.073 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.178 -7.983 13.123 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.811 -9.036 12.818 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.242 -7.742 10.793 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.570 -6.643 11.107 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.195 -8.188 8.718 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.560 -9.303 8.588 1.00 0.00 H new ATOM 674 N ASN A 47 0.559 -8.713 15.147 1.00 0.00 N ATOM 675 CA ASN A 47 0.401 -9.279 16.482 1.00 0.00 C ATOM 676 C ASN A 47 1.613 -10.126 16.860 1.00 0.00 C ATOM 677 O ASN A 47 2.479 -10.393 16.028 1.00 0.00 O ATOM 678 CB ASN A 47 -0.870 -10.128 16.552 1.00 0.00 C ATOM 679 CG ASN A 47 -2.130 -9.288 16.475 1.00 0.00 C ATOM 680 OD1 ASN A 47 -2.416 -8.493 17.370 1.00 0.00 O ATOM 681 ND2 ASN A 47 -2.891 -9.461 15.400 1.00 0.00 N ATOM 0 H ASN A 47 0.161 -9.280 14.399 1.00 0.00 H new ATOM 0 HA ASN A 47 0.319 -8.456 17.191 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.867 -10.850 15.735 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.873 -10.698 17.481 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -3.751 -8.923 15.292 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.615 -10.131 14.682 1.00 0.00 H new ATOM 688 N GLN A 48 1.665 -10.546 18.120 1.00 0.00 N ATOM 689 CA GLN A 48 2.770 -11.363 18.607 1.00 0.00 C ATOM 690 C GLN A 48 2.982 -12.581 17.715 1.00 0.00 C ATOM 691 O GLN A 48 4.104 -13.059 17.556 1.00 0.00 O ATOM 692 CB GLN A 48 2.505 -11.810 20.046 1.00 0.00 C ATOM 693 CG GLN A 48 3.748 -12.308 20.767 1.00 0.00 C ATOM 694 CD GLN A 48 4.784 -11.219 20.964 1.00 0.00 C ATOM 695 OE1 GLN A 48 4.655 -10.377 21.853 1.00 0.00 O ATOM 696 NE2 GLN A 48 5.820 -11.229 20.134 1.00 0.00 N ATOM 0 H GLN A 48 0.955 -10.334 18.821 1.00 0.00 H new ATOM 0 HA GLN A 48 3.675 -10.756 18.583 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.081 -10.976 20.605 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.757 -12.603 20.040 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.463 -12.713 21.738 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.190 -13.126 20.198 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.887 -11.945 19.411 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.549 -10.520 20.219 1.00 0.00 H new ATOM 705 N ASN A 49 1.895 -13.080 17.134 1.00 0.00 N ATOM 706 CA ASN A 49 1.962 -14.243 16.258 1.00 0.00 C ATOM 707 C ASN A 49 2.502 -13.859 14.884 1.00 0.00 C ATOM 708 O ASN A 49 3.451 -14.465 14.387 1.00 0.00 O ATOM 709 CB ASN A 49 0.578 -14.880 16.114 1.00 0.00 C ATOM 710 CG ASN A 49 0.395 -15.572 14.777 1.00 0.00 C ATOM 711 OD1 ASN A 49 1.134 -16.497 14.439 1.00 0.00 O ATOM 712 ND2 ASN A 49 -0.592 -15.125 14.009 1.00 0.00 N ATOM 0 H ASN A 49 0.958 -12.696 17.255 1.00 0.00 H new ATOM 0 HA ASN A 49 2.643 -14.966 16.708 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.428 -15.602 16.917 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.186 -14.111 16.230 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -0.762 -15.551 13.098 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.180 -14.356 14.330 1.00 0.00 H new ATOM 719 N GLY A 50 1.891 -12.848 14.275 1.00 0.00 N ATOM 720 CA GLY A 50 2.324 -12.400 12.965 1.00 0.00 C ATOM 721 C GLY A 50 1.162 -12.031 12.064 1.00 0.00 C ATOM 722 O GLY A 50 1.193 -12.288 10.860 1.00 0.00 O ATOM 0 H GLY A 50 1.103 -12.331 14.666 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.980 -11.537 13.078 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.911 -13.187 12.491 1.00 0.00 H new ATOM 726 N LYS A 51 0.132 -11.427 12.647 1.00 0.00 N ATOM 727 CA LYS A 51 -1.047 -11.022 11.891 1.00 0.00 C ATOM 728 C LYS A 51 -1.252 -9.513 11.970 1.00 0.00 C ATOM 729 O LYS A 51 -1.393 -8.952 13.057 1.00 0.00 O ATOM 730 CB LYS A 51 -2.289 -11.745 12.417 1.00 0.00 C ATOM 731 CG LYS A 51 -2.413 -13.177 11.926 1.00 0.00 C ATOM 732 CD LYS A 51 -3.815 -13.721 12.141 1.00 0.00 C ATOM 733 CE LYS A 51 -3.886 -15.212 11.849 1.00 0.00 C ATOM 734 NZ LYS A 51 -5.229 -15.775 12.160 1.00 0.00 N ATOM 0 H LYS A 51 0.090 -11.207 13.642 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.890 -11.295 10.848 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.265 -11.744 13.507 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.177 -11.189 12.117 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.163 -13.222 10.866 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.693 -13.806 12.450 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.124 -13.536 13.170 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.515 -13.189 11.497 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.653 -15.388 10.799 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.129 -15.733 12.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.236 -16.793 11.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.441 -15.630 13.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.949 -15.296 11.582 1.00 0.00 H new ATOM 748 N SER A 52 -1.269 -8.861 10.812 1.00 0.00 N ATOM 749 CA SER A 52 -1.455 -7.416 10.751 1.00 0.00 C ATOM 750 C SER A 52 -2.715 -6.998 11.503 1.00 0.00 C ATOM 751 O SER A 52 -3.821 -7.428 11.175 1.00 0.00 O ATOM 752 CB SER A 52 -1.540 -6.952 9.295 1.00 0.00 C ATOM 753 OG SER A 52 -0.383 -7.333 8.571 1.00 0.00 O ATOM 0 H SER A 52 -1.156 -9.310 9.903 1.00 0.00 H new ATOM 0 HA SER A 52 -0.595 -6.944 11.226 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.425 -7.380 8.824 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.654 -5.868 9.261 1.00 0.00 H new ATOM 0 HG SER A 52 -0.462 -7.027 7.643 1.00 0.00 H new ATOM 759 N LYS A 53 -2.540 -6.156 12.516 1.00 0.00 N ATOM 760 CA LYS A 53 -3.660 -5.677 13.317 1.00 0.00 C ATOM 761 C LYS A 53 -4.880 -5.410 12.440 1.00 0.00 C ATOM 762 O LYS A 53 -6.018 -5.567 12.880 1.00 0.00 O ATOM 763 CB LYS A 53 -3.269 -4.403 14.068 1.00 0.00 C ATOM 764 CG LYS A 53 -2.089 -4.587 15.005 1.00 0.00 C ATOM 765 CD LYS A 53 -2.159 -3.630 16.184 1.00 0.00 C ATOM 766 CE LYS A 53 -1.478 -4.211 17.414 1.00 0.00 C ATOM 767 NZ LYS A 53 -2.093 -3.713 18.675 1.00 0.00 N ATOM 0 H LYS A 53 -1.632 -5.791 12.802 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.916 -6.452 14.039 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.029 -3.624 13.344 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.127 -4.052 14.642 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.069 -5.614 15.369 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.160 -4.425 14.458 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.685 -2.686 15.916 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.201 -3.410 16.414 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.541 -5.299 17.384 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.419 -3.952 17.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.601 -4.132 19.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.011 -2.677 18.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.097 -3.982 18.701 1.00 0.00 H new ATOM 781 N GLY A 54 -4.633 -5.006 11.198 1.00 0.00 N ATOM 782 CA GLY A 54 -5.721 -4.725 10.279 1.00 0.00 C ATOM 783 C GLY A 54 -5.568 -3.383 9.592 1.00 0.00 C ATOM 784 O GLY A 54 -6.443 -2.962 8.836 1.00 0.00 O ATOM 0 H GLY A 54 -3.699 -4.868 10.812 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.769 -5.512 9.526 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.666 -4.746 10.822 1.00 0.00 H new ATOM 788 N TYR A 55 -4.455 -2.709 9.857 1.00 0.00 N ATOM 789 CA TYR A 55 -4.192 -1.404 9.262 1.00 0.00 C ATOM 790 C TYR A 55 -2.698 -1.202 9.028 1.00 0.00 C ATOM 791 O TYR A 55 -1.878 -2.024 9.438 1.00 0.00 O ATOM 792 CB TYR A 55 -4.733 -0.291 10.162 1.00 0.00 C ATOM 793 CG TYR A 55 -4.587 -0.582 11.638 1.00 0.00 C ATOM 794 CD1 TYR A 55 -5.395 -1.523 12.264 1.00 0.00 C ATOM 795 CD2 TYR A 55 -3.642 0.085 12.408 1.00 0.00 C ATOM 796 CE1 TYR A 55 -5.266 -1.791 13.613 1.00 0.00 C ATOM 797 CE2 TYR A 55 -3.505 -0.178 13.757 1.00 0.00 C ATOM 798 CZ TYR A 55 -4.319 -1.117 14.355 1.00 0.00 C ATOM 799 OH TYR A 55 -4.187 -1.381 15.699 1.00 0.00 O ATOM 0 H TYR A 55 -3.720 -3.044 10.480 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.701 -1.364 8.299 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.212 0.638 9.930 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.787 -0.131 9.934 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.137 -2.054 11.686 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.004 0.822 11.944 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.903 -2.525 14.084 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.764 0.349 14.340 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.474 -0.822 16.074 1.00 0.00 H new ATOM 809 N ALA A 56 -2.352 -0.103 8.367 1.00 0.00 N ATOM 810 CA ALA A 56 -0.958 0.209 8.080 1.00 0.00 C ATOM 811 C ALA A 56 -0.736 1.716 8.005 1.00 0.00 C ATOM 812 O ALA A 56 -1.689 2.489 7.902 1.00 0.00 O ATOM 813 CB ALA A 56 -0.524 -0.455 6.782 1.00 0.00 C ATOM 0 H ALA A 56 -3.019 0.587 8.020 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.350 -0.181 8.896 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.520 -0.213 6.581 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.635 -1.536 6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.145 -0.093 5.963 1.00 0.00 H new ATOM 819 N PHE A 57 0.526 2.128 8.059 1.00 0.00 N ATOM 820 CA PHE A 57 0.872 3.543 7.998 1.00 0.00 C ATOM 821 C PHE A 57 1.874 3.811 6.879 1.00 0.00 C ATOM 822 O PHE A 57 3.040 3.426 6.970 1.00 0.00 O ATOM 823 CB PHE A 57 1.450 4.006 9.337 1.00 0.00 C ATOM 824 CG PHE A 57 0.429 4.086 10.436 1.00 0.00 C ATOM 825 CD1 PHE A 57 -0.521 5.093 10.444 1.00 0.00 C ATOM 826 CD2 PHE A 57 0.421 3.153 11.461 1.00 0.00 C ATOM 827 CE1 PHE A 57 -1.463 5.170 11.453 1.00 0.00 C ATOM 828 CE2 PHE A 57 -0.518 3.224 12.472 1.00 0.00 C ATOM 829 CZ PHE A 57 -1.460 4.234 12.469 1.00 0.00 C ATOM 0 H PHE A 57 1.326 1.502 8.145 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.038 4.105 7.788 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.243 3.321 9.638 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.909 4.986 9.206 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.526 5.828 9.652 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.157 2.362 11.469 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.199 5.960 11.447 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.515 2.490 13.264 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.193 4.292 13.260 1.00 0.00 H new ATOM 839 N ILE A 58 1.410 4.472 5.824 1.00 0.00 N ATOM 840 CA ILE A 58 2.265 4.792 4.687 1.00 0.00 C ATOM 841 C ILE A 58 2.836 6.200 4.808 1.00 0.00 C ATOM 842 O ILE A 58 2.127 7.138 5.170 1.00 0.00 O ATOM 843 CB ILE A 58 1.499 4.672 3.356 1.00 0.00 C ATOM 844 CG1 ILE A 58 0.571 3.456 3.384 1.00 0.00 C ATOM 845 CG2 ILE A 58 2.473 4.575 2.192 1.00 0.00 C ATOM 846 CD1 ILE A 58 1.260 2.179 3.811 1.00 0.00 C ATOM 0 H ILE A 58 0.447 4.796 5.733 1.00 0.00 H new ATOM 0 HA ILE A 58 3.082 4.070 4.693 1.00 0.00 H new ATOM 0 HB ILE A 58 0.891 5.566 3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.257 3.657 4.063 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.142 3.314 2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.917 4.491 1.258 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.096 5.469 2.164 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.105 3.696 2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.542 1.359 3.808 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.071 1.954 3.118 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.665 2.302 4.815 1.00 0.00 H new ATOM 858 N GLU A 59 4.121 6.340 4.500 1.00 0.00 N ATOM 859 CA GLU A 59 4.787 7.636 4.573 1.00 0.00 C ATOM 860 C GLU A 59 5.321 8.051 3.205 1.00 0.00 C ATOM 861 O GLU A 59 5.856 7.230 2.460 1.00 0.00 O ATOM 862 CB GLU A 59 5.932 7.589 5.587 1.00 0.00 C ATOM 863 CG GLU A 59 6.211 8.927 6.251 1.00 0.00 C ATOM 864 CD GLU A 59 7.551 8.957 6.960 1.00 0.00 C ATOM 865 OE1 GLU A 59 7.648 8.397 8.072 1.00 0.00 O ATOM 866 OE2 GLU A 59 8.503 9.542 6.402 1.00 0.00 O ATOM 0 H GLU A 59 4.722 5.573 4.198 1.00 0.00 H new ATOM 0 HA GLU A 59 4.054 8.375 4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.695 6.853 6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.837 7.246 5.085 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.185 9.715 5.498 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.420 9.145 6.968 1.00 0.00 H new ATOM 873 N PHE A 60 5.171 9.331 2.882 1.00 0.00 N ATOM 874 CA PHE A 60 5.636 9.856 1.604 1.00 0.00 C ATOM 875 C PHE A 60 6.442 11.137 1.802 1.00 0.00 C ATOM 876 O PHE A 60 6.664 11.574 2.931 1.00 0.00 O ATOM 877 CB PHE A 60 4.450 10.127 0.676 1.00 0.00 C ATOM 878 CG PHE A 60 3.659 8.894 0.340 1.00 0.00 C ATOM 879 CD1 PHE A 60 2.792 8.337 1.266 1.00 0.00 C ATOM 880 CD2 PHE A 60 3.783 8.293 -0.902 1.00 0.00 C ATOM 881 CE1 PHE A 60 2.063 7.204 0.960 1.00 0.00 C ATOM 882 CE2 PHE A 60 3.057 7.160 -1.214 1.00 0.00 C ATOM 883 CZ PHE A 60 2.196 6.614 -0.281 1.00 0.00 C ATOM 0 H PHE A 60 4.731 10.024 3.488 1.00 0.00 H new ATOM 0 HA PHE A 60 6.282 9.107 1.147 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.790 10.856 1.146 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.816 10.577 -0.247 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.685 8.794 2.239 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.455 8.715 -1.635 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.390 6.780 1.691 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.162 6.701 -2.186 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.628 5.727 -0.522 1.00 0.00 H new ATOM 893 N ALA A 61 6.879 11.732 0.697 1.00 0.00 N ATOM 894 CA ALA A 61 7.659 12.962 0.749 1.00 0.00 C ATOM 895 C ALA A 61 6.795 14.142 1.183 1.00 0.00 C ATOM 896 O ALA A 61 7.284 15.087 1.801 1.00 0.00 O ATOM 897 CB ALA A 61 8.295 13.241 -0.604 1.00 0.00 C ATOM 0 H ALA A 61 6.706 11.382 -0.245 1.00 0.00 H new ATOM 0 HA ALA A 61 8.448 12.831 1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.875 14.163 -0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.952 12.414 -0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.515 13.346 -1.358 1.00 0.00 H new ATOM 903 N SER A 62 5.509 14.080 0.853 1.00 0.00 N ATOM 904 CA SER A 62 4.578 15.146 1.205 1.00 0.00 C ATOM 905 C SER A 62 3.150 14.770 0.818 1.00 0.00 C ATOM 906 O SER A 62 2.912 13.715 0.231 1.00 0.00 O ATOM 907 CB SER A 62 4.978 16.451 0.514 1.00 0.00 C ATOM 908 OG SER A 62 5.871 17.201 1.319 1.00 0.00 O ATOM 0 H SER A 62 5.088 13.304 0.343 1.00 0.00 H new ATOM 0 HA SER A 62 4.619 15.288 2.285 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.446 16.230 -0.445 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.087 17.043 0.305 1.00 0.00 H new ATOM 0 HG SER A 62 6.493 16.593 1.771 1.00 0.00 H new ATOM 914 N PHE A 63 2.205 15.642 1.152 1.00 0.00 N ATOM 915 CA PHE A 63 0.800 15.403 0.841 1.00 0.00 C ATOM 916 C PHE A 63 0.611 15.137 -0.650 1.00 0.00 C ATOM 917 O PHE A 63 -0.438 14.655 -1.075 1.00 0.00 O ATOM 918 CB PHE A 63 -0.050 16.601 1.269 1.00 0.00 C ATOM 919 CG PHE A 63 -1.341 16.721 0.510 1.00 0.00 C ATOM 920 CD1 PHE A 63 -2.373 15.822 0.727 1.00 0.00 C ATOM 921 CD2 PHE A 63 -1.523 17.733 -0.419 1.00 0.00 C ATOM 922 CE1 PHE A 63 -3.562 15.930 0.030 1.00 0.00 C ATOM 923 CE2 PHE A 63 -2.709 17.846 -1.118 1.00 0.00 C ATOM 924 CZ PHE A 63 -3.731 16.944 -0.893 1.00 0.00 C ATOM 0 H PHE A 63 2.386 16.520 1.638 1.00 0.00 H new ATOM 0 HA PHE A 63 0.476 14.521 1.393 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.270 16.519 2.333 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.529 17.514 1.133 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.247 15.028 1.449 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.728 18.442 -0.599 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.358 15.222 0.207 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.837 18.639 -1.840 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.660 17.031 -1.437 1.00 0.00 H new ATOM 934 N GLU A 64 1.634 15.455 -1.436 1.00 0.00 N ATOM 935 CA GLU A 64 1.579 15.252 -2.879 1.00 0.00 C ATOM 936 C GLU A 64 1.707 13.771 -3.225 1.00 0.00 C ATOM 937 O GLU A 64 0.743 13.138 -3.656 1.00 0.00 O ATOM 938 CB GLU A 64 2.689 16.046 -3.571 1.00 0.00 C ATOM 939 CG GLU A 64 2.277 17.455 -3.960 1.00 0.00 C ATOM 940 CD GLU A 64 1.321 17.480 -5.137 1.00 0.00 C ATOM 941 OE1 GLU A 64 1.589 16.778 -6.134 1.00 0.00 O ATOM 942 OE2 GLU A 64 0.305 18.203 -5.060 1.00 0.00 O ATOM 0 H GLU A 64 2.510 15.854 -1.099 1.00 0.00 H new ATOM 0 HA GLU A 64 0.612 15.609 -3.234 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.553 16.099 -2.909 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.005 15.509 -4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.807 17.941 -3.105 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.167 18.034 -4.207 1.00 0.00 H new ATOM 949 N ASP A 65 2.903 13.226 -3.033 1.00 0.00 N ATOM 950 CA ASP A 65 3.158 11.819 -3.324 1.00 0.00 C ATOM 951 C ASP A 65 2.157 10.925 -2.599 1.00 0.00 C ATOM 952 O ASP A 65 1.714 9.910 -3.137 1.00 0.00 O ATOM 953 CB ASP A 65 4.584 11.443 -2.920 1.00 0.00 C ATOM 954 CG ASP A 65 5.619 11.966 -3.896 1.00 0.00 C ATOM 955 OD1 ASP A 65 5.319 12.022 -5.107 1.00 0.00 O ATOM 956 OD2 ASP A 65 6.730 12.319 -3.449 1.00 0.00 O ATOM 0 H ASP A 65 3.711 13.736 -2.677 1.00 0.00 H new ATOM 0 HA ASP A 65 3.042 11.668 -4.397 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.793 11.839 -1.926 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.666 10.358 -2.855 1.00 0.00 H new ATOM 961 N ALA A 66 1.807 11.307 -1.376 1.00 0.00 N ATOM 962 CA ALA A 66 0.859 10.540 -0.577 1.00 0.00 C ATOM 963 C ALA A 66 -0.512 10.501 -1.243 1.00 0.00 C ATOM 964 O ALA A 66 -1.172 9.461 -1.268 1.00 0.00 O ATOM 965 CB ALA A 66 0.752 11.126 0.822 1.00 0.00 C ATOM 0 H ALA A 66 2.166 12.144 -0.916 1.00 0.00 H new ATOM 0 HA ALA A 66 1.228 9.517 -0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.041 10.543 1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.729 11.097 1.304 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.410 12.159 0.759 1.00 0.00 H new ATOM 971 N LYS A 67 -0.937 11.639 -1.781 1.00 0.00 N ATOM 972 CA LYS A 67 -2.230 11.735 -2.447 1.00 0.00 C ATOM 973 C LYS A 67 -2.225 10.958 -3.760 1.00 0.00 C ATOM 974 O LYS A 67 -3.250 10.418 -4.175 1.00 0.00 O ATOM 975 CB LYS A 67 -2.583 13.200 -2.712 1.00 0.00 C ATOM 976 CG LYS A 67 -3.808 13.382 -3.592 1.00 0.00 C ATOM 977 CD LYS A 67 -5.080 12.975 -2.868 1.00 0.00 C ATOM 978 CE LYS A 67 -5.404 13.932 -1.730 1.00 0.00 C ATOM 979 NZ LYS A 67 -6.867 13.996 -1.459 1.00 0.00 N ATOM 0 H LYS A 67 -0.404 12.509 -1.769 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.982 11.299 -1.789 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.753 13.702 -1.759 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.731 13.690 -3.183 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.883 14.424 -3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.698 12.787 -4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.910 12.953 -3.574 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.969 11.965 -2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.881 13.614 -0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.036 14.928 -1.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.047 14.658 -0.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.364 14.324 -2.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.213 13.051 -1.198 1.00 0.00 H new ATOM 993 N GLU A 68 -1.065 10.904 -4.406 1.00 0.00 N ATOM 994 CA GLU A 68 -0.928 10.192 -5.671 1.00 0.00 C ATOM 995 C GLU A 68 -1.291 8.719 -5.508 1.00 0.00 C ATOM 996 O GLU A 68 -2.033 8.159 -6.315 1.00 0.00 O ATOM 997 CB GLU A 68 0.501 10.320 -6.203 1.00 0.00 C ATOM 998 CG GLU A 68 0.804 9.392 -7.366 1.00 0.00 C ATOM 999 CD GLU A 68 0.251 9.905 -8.682 1.00 0.00 C ATOM 1000 OE1 GLU A 68 -0.915 10.351 -8.701 1.00 0.00 O ATOM 1001 OE2 GLU A 68 0.985 9.862 -9.691 1.00 0.00 O ATOM 0 H GLU A 68 -0.207 11.345 -4.075 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.616 10.642 -6.387 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.672 11.350 -6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.201 10.114 -5.393 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.883 9.267 -7.454 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.384 8.407 -7.159 1.00 0.00 H new ATOM 1008 N ALA A 69 -0.763 8.098 -4.459 1.00 0.00 N ATOM 1009 CA ALA A 69 -1.032 6.691 -4.188 1.00 0.00 C ATOM 1010 C ALA A 69 -2.390 6.511 -3.520 1.00 0.00 C ATOM 1011 O ALA A 69 -3.061 5.497 -3.718 1.00 0.00 O ATOM 1012 CB ALA A 69 0.069 6.101 -3.319 1.00 0.00 C ATOM 0 H ALA A 69 -0.146 8.547 -3.782 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.052 6.160 -5.140 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.145 5.050 -3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.025 6.187 -3.835 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.116 6.642 -2.374 1.00 0.00 H new ATOM 1018 N LEU A 70 -2.791 7.499 -2.728 1.00 0.00 N ATOM 1019 CA LEU A 70 -4.071 7.449 -2.030 1.00 0.00 C ATOM 1020 C LEU A 70 -5.232 7.559 -3.012 1.00 0.00 C ATOM 1021 O LEU A 70 -6.345 7.120 -2.725 1.00 0.00 O ATOM 1022 CB LEU A 70 -4.154 8.574 -0.996 1.00 0.00 C ATOM 1023 CG LEU A 70 -5.560 9.073 -0.659 1.00 0.00 C ATOM 1024 CD1 LEU A 70 -6.308 8.041 0.169 1.00 0.00 C ATOM 1025 CD2 LEU A 70 -5.491 10.403 0.078 1.00 0.00 C ATOM 0 H LEU A 70 -2.248 8.345 -2.553 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.141 6.488 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.682 8.230 -0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.568 9.418 -1.359 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.105 9.225 -1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.306 8.413 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.388 7.111 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.766 7.857 1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.500 10.743 0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.929 10.277 1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.994 11.142 -0.551 1.00 0.00 H new ATOM 1037 N ASN A 71 -4.964 8.146 -4.174 1.00 0.00 N ATOM 1038 CA ASN A 71 -5.987 8.312 -5.201 1.00 0.00 C ATOM 1039 C ASN A 71 -6.093 7.063 -6.069 1.00 0.00 C ATOM 1040 O ASN A 71 -7.171 6.723 -6.557 1.00 0.00 O ATOM 1041 CB ASN A 71 -5.670 9.528 -6.073 1.00 0.00 C ATOM 1042 CG ASN A 71 -6.265 10.808 -5.519 1.00 0.00 C ATOM 1043 OD1 ASN A 71 -7.291 10.786 -4.838 1.00 0.00 O ATOM 1044 ND2 ASN A 71 -5.621 11.934 -5.808 1.00 0.00 N ATOM 0 H ASN A 71 -4.048 8.515 -4.428 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.944 8.469 -4.704 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.589 9.640 -6.157 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.052 9.359 -7.080 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.974 12.826 -5.462 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.774 11.906 -6.376 1.00 0.00 H new ATOM 1051 N SER A 72 -4.967 6.382 -6.258 1.00 0.00 N ATOM 1052 CA SER A 72 -4.933 5.171 -7.070 1.00 0.00 C ATOM 1053 C SER A 72 -5.042 3.927 -6.195 1.00 0.00 C ATOM 1054 O SER A 72 -6.036 3.202 -6.249 1.00 0.00 O ATOM 1055 CB SER A 72 -3.643 5.120 -7.892 1.00 0.00 C ATOM 1056 OG SER A 72 -3.816 5.745 -9.152 1.00 0.00 O ATOM 0 H SER A 72 -4.066 6.648 -5.860 1.00 0.00 H new ATOM 0 HA SER A 72 -5.787 5.192 -7.747 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.840 5.614 -7.345 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.340 4.083 -8.036 1.00 0.00 H new ATOM 0 HG SER A 72 -2.977 5.701 -9.657 1.00 0.00 H new ATOM 1062 N CYS A 73 -4.013 3.685 -5.390 1.00 0.00 N ATOM 1063 CA CYS A 73 -3.991 2.527 -4.503 1.00 0.00 C ATOM 1064 C CYS A 73 -5.319 2.382 -3.767 1.00 0.00 C ATOM 1065 O CYS A 73 -5.688 1.288 -3.343 1.00 0.00 O ATOM 1066 CB CYS A 73 -2.847 2.651 -3.497 1.00 0.00 C ATOM 1067 SG CYS A 73 -1.232 2.962 -4.249 1.00 0.00 S ATOM 0 H CYS A 73 -3.183 4.275 -5.333 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.834 1.636 -5.111 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.074 3.460 -2.803 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.792 1.734 -2.911 1.00 0.00 H new ATOM 0 HG CYS A 73 -0.339 3.107 -3.315 1.00 0.00 H new ATOM 1073 N ASN A 74 -6.031 3.494 -3.617 1.00 0.00 N ATOM 1074 CA ASN A 74 -7.317 3.491 -2.929 1.00 0.00 C ATOM 1075 C ASN A 74 -8.070 2.190 -3.190 1.00 0.00 C ATOM 1076 O ASN A 74 -8.348 1.839 -4.337 1.00 0.00 O ATOM 1077 CB ASN A 74 -8.164 4.683 -3.381 1.00 0.00 C ATOM 1078 CG ASN A 74 -9.108 5.165 -2.297 1.00 0.00 C ATOM 1079 OD1 ASN A 74 -10.312 5.293 -2.518 1.00 0.00 O ATOM 1080 ND2 ASN A 74 -8.564 5.437 -1.116 1.00 0.00 N ATOM 0 H ASN A 74 -5.739 4.408 -3.962 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.128 3.573 -1.859 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.507 5.501 -3.677 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.740 4.402 -4.263 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.150 5.766 -0.348 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.561 5.317 -0.977 1.00 0.00 H new ATOM 1087 N LYS A 75 -8.399 1.478 -2.117 1.00 0.00 N ATOM 1088 CA LYS A 75 -9.122 0.216 -2.227 1.00 0.00 C ATOM 1089 C LYS A 75 -8.368 -0.767 -3.117 1.00 0.00 C ATOM 1090 O LYS A 75 -8.922 -1.299 -4.079 1.00 0.00 O ATOM 1091 CB LYS A 75 -10.525 0.456 -2.789 1.00 0.00 C ATOM 1092 CG LYS A 75 -11.290 1.552 -2.067 1.00 0.00 C ATOM 1093 CD LYS A 75 -12.300 2.223 -2.982 1.00 0.00 C ATOM 1094 CE LYS A 75 -13.000 3.381 -2.287 1.00 0.00 C ATOM 1095 NZ LYS A 75 -14.056 3.986 -3.144 1.00 0.00 N ATOM 0 H LYS A 75 -8.176 1.754 -1.161 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.205 -0.215 -1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.445 0.715 -3.845 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.094 -0.472 -2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.804 1.130 -1.204 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.590 2.297 -1.688 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.796 2.586 -3.878 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.040 1.492 -3.307 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.445 3.030 -1.356 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.266 4.143 -2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.509 4.771 -2.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.628 4.344 -4.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.770 3.266 -3.376 1.00 0.00 H new ATOM 1109 N ARG A 76 -7.102 -1.004 -2.789 1.00 0.00 N ATOM 1110 CA ARG A 76 -6.273 -1.923 -3.559 1.00 0.00 C ATOM 1111 C ARG A 76 -6.511 -3.366 -3.122 1.00 0.00 C ATOM 1112 O ARG A 76 -6.336 -3.707 -1.953 1.00 0.00 O ATOM 1113 CB ARG A 76 -4.794 -1.568 -3.397 1.00 0.00 C ATOM 1114 CG ARG A 76 -3.851 -2.583 -4.022 1.00 0.00 C ATOM 1115 CD ARG A 76 -3.559 -2.250 -5.477 1.00 0.00 C ATOM 1116 NE ARG A 76 -2.294 -2.823 -5.927 1.00 0.00 N ATOM 1117 CZ ARG A 76 -1.695 -2.483 -7.063 1.00 0.00 C ATOM 1118 NH1 ARG A 76 -2.244 -1.577 -7.860 1.00 0.00 N ATOM 1119 NH2 ARG A 76 -0.544 -3.049 -7.403 1.00 0.00 N ATOM 0 H ARG A 76 -6.628 -0.572 -1.995 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.549 -1.829 -4.609 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.612 -0.592 -3.846 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.565 -1.478 -2.335 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.918 -2.609 -3.459 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.291 -3.578 -3.957 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.369 -2.623 -6.104 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.532 -1.168 -5.603 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.845 -3.523 -5.337 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.128 -1.139 -7.602 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.782 -1.318 -8.732 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.118 -3.746 -6.792 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.085 -2.787 -8.275 1.00 0.00 H new ATOM 1133 N GLU A 77 -6.910 -4.208 -4.071 1.00 0.00 N ATOM 1134 CA GLU A 77 -7.173 -5.613 -3.782 1.00 0.00 C ATOM 1135 C GLU A 77 -5.872 -6.369 -3.527 1.00 0.00 C ATOM 1136 O GLU A 77 -5.120 -6.661 -4.457 1.00 0.00 O ATOM 1137 CB GLU A 77 -7.933 -6.261 -4.942 1.00 0.00 C ATOM 1138 CG GLU A 77 -9.443 -6.140 -4.822 1.00 0.00 C ATOM 1139 CD GLU A 77 -10.134 -6.103 -6.172 1.00 0.00 C ATOM 1140 OE1 GLU A 77 -10.120 -7.137 -6.873 1.00 0.00 O ATOM 1141 OE2 GLU A 77 -10.687 -5.042 -6.527 1.00 0.00 O ATOM 0 H GLU A 77 -7.058 -3.942 -5.045 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.785 -5.664 -2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.613 -5.801 -5.877 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.665 -7.316 -4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.827 -6.981 -4.245 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.688 -5.234 -4.267 1.00 0.00 H new ATOM 1148 N ILE A 78 -5.615 -6.681 -2.262 1.00 0.00 N ATOM 1149 CA ILE A 78 -4.407 -7.403 -1.884 1.00 0.00 C ATOM 1150 C ILE A 78 -4.741 -8.644 -1.063 1.00 0.00 C ATOM 1151 O ILE A 78 -5.452 -8.564 -0.062 1.00 0.00 O ATOM 1152 CB ILE A 78 -3.447 -6.510 -1.076 1.00 0.00 C ATOM 1153 CG1 ILE A 78 -3.007 -5.307 -1.914 1.00 0.00 C ATOM 1154 CG2 ILE A 78 -2.239 -7.311 -0.615 1.00 0.00 C ATOM 1155 CD1 ILE A 78 -2.008 -4.415 -1.212 1.00 0.00 C ATOM 0 H ILE A 78 -6.227 -6.445 -1.481 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.918 -7.704 -2.810 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.972 -6.143 -0.194 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.570 -5.664 -2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.885 -4.718 -2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.570 -6.666 -0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.569 -8.137 0.014 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.711 -7.705 -1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.741 -3.584 -1.864 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.448 -4.028 -0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.113 -4.989 -0.972 1.00 0.00 H new ATOM 1167 N GLU A 79 -4.221 -9.789 -1.493 1.00 0.00 N ATOM 1168 CA GLU A 79 -4.464 -11.047 -0.796 1.00 0.00 C ATOM 1169 C GLU A 79 -5.954 -11.374 -0.769 1.00 0.00 C ATOM 1170 O GLU A 79 -6.431 -12.077 0.121 1.00 0.00 O ATOM 1171 CB GLU A 79 -3.920 -10.978 0.632 1.00 0.00 C ATOM 1172 CG GLU A 79 -2.418 -11.186 0.722 1.00 0.00 C ATOM 1173 CD GLU A 79 -1.965 -12.466 0.048 1.00 0.00 C ATOM 1174 OE1 GLU A 79 -2.453 -13.548 0.438 1.00 0.00 O ATOM 1175 OE2 GLU A 79 -1.123 -12.386 -0.871 1.00 0.00 O ATOM 0 H GLU A 79 -3.629 -9.872 -2.320 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.945 -11.839 -1.337 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.170 -10.007 1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.420 -11.733 1.239 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.909 -10.338 0.263 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.120 -11.207 1.770 1.00 0.00 H new ATOM 1182 N GLY A 80 -6.686 -10.859 -1.752 1.00 0.00 N ATOM 1183 CA GLY A 80 -8.114 -11.106 -1.823 1.00 0.00 C ATOM 1184 C GLY A 80 -8.917 -10.107 -1.014 1.00 0.00 C ATOM 1185 O GLY A 80 -10.145 -10.074 -1.096 1.00 0.00 O ATOM 0 H GLY A 80 -6.315 -10.275 -2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.435 -11.067 -2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.324 -12.113 -1.462 1.00 0.00 H new ATOM 1189 N ARG A 81 -8.222 -9.290 -0.228 1.00 0.00 N ATOM 1190 CA ARG A 81 -8.878 -8.287 0.602 1.00 0.00 C ATOM 1191 C ARG A 81 -8.534 -6.879 0.126 1.00 0.00 C ATOM 1192 O ARG A 81 -7.363 -6.535 -0.031 1.00 0.00 O ATOM 1193 CB ARG A 81 -8.468 -8.457 2.065 1.00 0.00 C ATOM 1194 CG ARG A 81 -8.782 -9.833 2.630 1.00 0.00 C ATOM 1195 CD ARG A 81 -7.626 -10.799 2.422 1.00 0.00 C ATOM 1196 NE ARG A 81 -8.084 -12.179 2.282 1.00 0.00 N ATOM 1197 CZ ARG A 81 -8.602 -12.885 3.280 1.00 0.00 C ATOM 1198 NH1 ARG A 81 -8.729 -12.344 4.484 1.00 0.00 N ATOM 1199 NH2 ARG A 81 -8.996 -14.136 3.075 1.00 0.00 N ATOM 0 H ARG A 81 -7.205 -9.303 -0.149 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.955 -8.428 0.516 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.398 -8.271 2.158 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.976 -7.702 2.666 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.000 -9.749 3.695 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.678 -10.228 2.151 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.068 -10.510 1.531 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.939 -10.729 3.265 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.001 -12.624 1.368 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.428 -11.383 4.645 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.127 -12.889 5.249 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.901 -14.556 2.150 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.394 -14.678 3.842 1.00 0.00 H new ATOM 1213 N ALA A 82 -9.563 -6.069 -0.101 1.00 0.00 N ATOM 1214 CA ALA A 82 -9.369 -4.698 -0.557 1.00 0.00 C ATOM 1215 C ALA A 82 -8.855 -3.811 0.572 1.00 0.00 C ATOM 1216 O ALA A 82 -9.387 -3.833 1.682 1.00 0.00 O ATOM 1217 CB ALA A 82 -10.669 -4.140 -1.119 1.00 0.00 C ATOM 0 H ALA A 82 -10.539 -6.338 0.023 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.618 -4.707 -1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.510 -3.116 -1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.994 -4.752 -1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.435 -4.152 -0.344 1.00 0.00 H new ATOM 1223 N ILE A 83 -7.817 -3.034 0.282 1.00 0.00 N ATOM 1224 CA ILE A 83 -7.232 -2.140 1.273 1.00 0.00 C ATOM 1225 C ILE A 83 -7.566 -0.684 0.966 1.00 0.00 C ATOM 1226 O ILE A 83 -7.304 -0.195 -0.133 1.00 0.00 O ATOM 1227 CB ILE A 83 -5.702 -2.300 1.342 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -5.048 -1.707 0.092 1.00 0.00 C ATOM 1229 CG2 ILE A 83 -5.330 -3.767 1.496 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -4.709 -0.239 0.226 1.00 0.00 C ATOM 0 H ILE A 83 -7.364 -3.006 -0.631 1.00 0.00 H new ATOM 0 HA ILE A 83 -7.662 -2.413 2.237 1.00 0.00 H new ATOM 0 HB ILE A 83 -5.333 -1.758 2.213 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.137 -2.263 -0.130 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.718 -1.841 -0.757 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.245 -3.864 1.543 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.770 -4.160 2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.708 -4.330 0.642 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.249 0.114 -0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.620 0.329 0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.014 -0.100 1.054 1.00 0.00 H new ATOM 1242 N ARG A 84 -8.145 0.004 1.945 1.00 0.00 N ATOM 1243 CA ARG A 84 -8.514 1.404 1.780 1.00 0.00 C ATOM 1244 C ARG A 84 -7.461 2.321 2.397 1.00 0.00 C ATOM 1245 O ARG A 84 -6.807 1.961 3.377 1.00 0.00 O ATOM 1246 CB ARG A 84 -9.877 1.673 2.419 1.00 0.00 C ATOM 1247 CG ARG A 84 -10.540 2.950 1.928 1.00 0.00 C ATOM 1248 CD ARG A 84 -12.037 2.938 2.193 1.00 0.00 C ATOM 1249 NE ARG A 84 -12.340 2.925 3.622 1.00 0.00 N ATOM 1250 CZ ARG A 84 -13.572 3.006 4.113 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -14.610 3.105 3.294 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -13.766 2.988 5.425 1.00 0.00 N ATOM 0 H ARG A 84 -8.368 -0.386 2.861 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.573 1.614 0.712 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.537 0.830 2.215 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.757 1.729 3.501 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -10.089 3.809 2.424 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.360 3.067 0.859 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -12.493 3.815 1.734 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -12.482 2.062 1.720 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.563 2.850 4.279 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -14.464 3.119 2.285 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -15.555 3.167 3.673 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.969 2.912 6.057 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.712 3.050 5.802 1.00 0.00 H new ATOM 1266 N LEU A 85 -7.302 3.505 1.816 1.00 0.00 N ATOM 1267 CA LEU A 85 -6.329 4.474 2.308 1.00 0.00 C ATOM 1268 C LEU A 85 -7.004 5.797 2.654 1.00 0.00 C ATOM 1269 O LEU A 85 -7.835 6.296 1.896 1.00 0.00 O ATOM 1270 CB LEU A 85 -5.235 4.703 1.263 1.00 0.00 C ATOM 1271 CG LEU A 85 -4.454 3.463 0.826 1.00 0.00 C ATOM 1272 CD1 LEU A 85 -3.981 3.610 -0.612 1.00 0.00 C ATOM 1273 CD2 LEU A 85 -3.274 3.221 1.756 1.00 0.00 C ATOM 0 H LEU A 85 -7.834 3.817 1.004 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.878 4.071 3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.692 5.150 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.528 5.432 1.660 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.118 2.600 0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.427 2.718 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.843 3.734 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.333 4.483 -0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.730 2.335 1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.609 4.084 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.637 3.070 2.773 1.00 0.00 H new ATOM 1285 N GLU A 86 -6.638 6.361 3.801 1.00 0.00 N ATOM 1286 CA GLU A 86 -7.208 7.627 4.245 1.00 0.00 C ATOM 1287 C GLU A 86 -6.138 8.514 4.876 1.00 0.00 C ATOM 1288 O GLU A 86 -5.333 8.053 5.686 1.00 0.00 O ATOM 1289 CB GLU A 86 -8.338 7.380 5.247 1.00 0.00 C ATOM 1290 CG GLU A 86 -9.703 7.228 4.599 1.00 0.00 C ATOM 1291 CD GLU A 86 -10.824 7.132 5.616 1.00 0.00 C ATOM 1292 OE1 GLU A 86 -10.804 7.906 6.595 1.00 0.00 O ATOM 1293 OE2 GLU A 86 -11.721 6.282 5.432 1.00 0.00 O ATOM 0 H GLU A 86 -5.950 5.961 4.439 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.612 8.140 3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.114 6.480 5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.372 8.208 5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.886 8.078 3.942 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.707 6.335 3.974 1.00 0.00 H new ATOM 1300 N LEU A 87 -6.136 9.787 4.499 1.00 0.00 N ATOM 1301 CA LEU A 87 -5.165 10.740 5.027 1.00 0.00 C ATOM 1302 C LEU A 87 -5.292 10.863 6.542 1.00 0.00 C ATOM 1303 O LEU A 87 -6.393 11.013 7.071 1.00 0.00 O ATOM 1304 CB LEU A 87 -5.358 12.110 4.374 1.00 0.00 C ATOM 1305 CG LEU A 87 -4.857 12.244 2.935 1.00 0.00 C ATOM 1306 CD1 LEU A 87 -5.065 13.663 2.428 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -3.390 11.852 2.842 1.00 0.00 C ATOM 0 H LEU A 87 -6.795 10.184 3.830 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.166 10.371 4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.421 12.352 4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.851 12.856 4.985 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.434 11.567 2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.703 13.740 1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.127 13.908 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.515 14.360 3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.051 11.954 1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.798 12.504 3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.269 10.818 3.164 1.00 0.00 H new ATOM 1319 N GLN A 88 -4.158 10.802 7.232 1.00 0.00 N ATOM 1320 CA GLN A 88 -4.143 10.908 8.686 1.00 0.00 C ATOM 1321 C GLN A 88 -4.260 12.364 9.127 1.00 0.00 C ATOM 1322 O GLN A 88 -3.451 13.206 8.741 1.00 0.00 O ATOM 1323 CB GLN A 88 -2.861 10.294 9.251 1.00 0.00 C ATOM 1324 CG GLN A 88 -3.027 9.712 10.645 1.00 0.00 C ATOM 1325 CD GLN A 88 -1.704 9.522 11.360 1.00 0.00 C ATOM 1326 OE1 GLN A 88 -1.453 10.131 12.400 1.00 0.00 O ATOM 1327 NE2 GLN A 88 -0.848 8.672 10.805 1.00 0.00 N ATOM 0 H GLN A 88 -3.238 10.680 6.808 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.001 10.359 9.073 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.517 9.509 8.578 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.083 11.057 9.275 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.664 10.371 11.236 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.539 8.752 10.575 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.097 8.188 9.942 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.058 8.503 11.242 1.00 0.00 H new ATOM 1336 N GLY A 89 -5.274 12.652 9.937 1.00 0.00 N ATOM 1337 CA GLY A 89 -5.479 14.007 10.416 1.00 0.00 C ATOM 1338 C GLY A 89 -4.691 14.301 11.677 1.00 0.00 C ATOM 1339 O GLY A 89 -4.262 13.395 12.392 1.00 0.00 O ATOM 0 H GLY A 89 -5.957 11.972 10.270 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.189 14.712 9.637 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.540 14.164 10.609 1.00 0.00 H new ATOM 1343 N PRO A 90 -4.490 15.595 11.966 1.00 0.00 N ATOM 1344 CA PRO A 90 -3.746 16.036 13.150 1.00 0.00 C ATOM 1345 C PRO A 90 -4.505 15.765 14.445 1.00 0.00 C ATOM 1346 O PRO A 90 -5.656 16.172 14.597 1.00 0.00 O ATOM 1347 CB PRO A 90 -3.588 17.542 12.928 1.00 0.00 C ATOM 1348 CG PRO A 90 -4.727 17.917 12.045 1.00 0.00 C ATOM 1349 CD PRO A 90 -4.973 16.728 11.158 1.00 0.00 C ATOM 0 HA PRO A 90 -2.800 15.506 13.259 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.623 18.087 13.871 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.631 17.775 12.460 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.614 18.156 12.632 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -4.488 18.801 11.454 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.029 16.623 10.910 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.431 16.810 10.216 1.00 0.00 H new ATOM 1357 N ARG A 91 -3.851 15.075 15.374 1.00 0.00 N ATOM 1358 CA ARG A 91 -4.465 14.749 16.656 1.00 0.00 C ATOM 1359 C ARG A 91 -4.166 15.829 17.692 1.00 0.00 C ATOM 1360 O ARG A 91 -3.008 16.094 18.011 1.00 0.00 O ATOM 1361 CB ARG A 91 -3.961 13.394 17.156 1.00 0.00 C ATOM 1362 CG ARG A 91 -4.713 12.876 18.372 1.00 0.00 C ATOM 1363 CD ARG A 91 -4.101 11.587 18.897 1.00 0.00 C ATOM 1364 NE ARG A 91 -3.005 11.841 19.828 1.00 0.00 N ATOM 1365 CZ ARG A 91 -2.378 10.885 20.505 1.00 0.00 C ATOM 1366 NH1 ARG A 91 -2.738 9.618 20.354 1.00 0.00 N ATOM 1367 NH2 ARG A 91 -1.390 11.196 21.334 1.00 0.00 N ATOM 0 H ARG A 91 -2.897 14.731 15.263 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.544 14.697 16.512 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.044 12.665 16.350 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.902 13.478 17.402 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.702 13.632 19.157 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -5.757 12.704 18.110 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.870 10.997 19.395 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.735 10.992 18.060 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.704 12.806 19.966 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.497 9.376 19.717 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.256 8.885 20.874 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.111 12.170 21.452 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.909 10.461 21.853 1.00 0.00 H new ATOM 1381 N GLY A 92 -5.220 16.449 18.214 1.00 0.00 N ATOM 1382 CA GLY A 92 -5.049 17.493 19.208 1.00 0.00 C ATOM 1383 C GLY A 92 -6.087 17.418 20.310 1.00 0.00 C ATOM 1384 O GLY A 92 -7.194 17.937 20.167 1.00 0.00 O ATOM 0 H GLY A 92 -6.189 16.247 17.967 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.053 17.415 19.645 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.109 18.467 18.722 1.00 0.00 H new ATOM 1388 N SER A 93 -5.729 16.770 21.414 1.00 0.00 N ATOM 1389 CA SER A 93 -6.639 16.625 22.544 1.00 0.00 C ATOM 1390 C SER A 93 -6.056 17.268 23.799 1.00 0.00 C ATOM 1391 O SER A 93 -5.472 16.603 24.655 1.00 0.00 O ATOM 1392 CB SER A 93 -6.930 15.146 22.805 1.00 0.00 C ATOM 1393 OG SER A 93 -7.933 14.990 23.794 1.00 0.00 O ATOM 0 H SER A 93 -4.815 16.337 21.550 1.00 0.00 H new ATOM 0 HA SER A 93 -7.570 17.134 22.295 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.249 14.666 21.880 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.017 14.644 23.126 1.00 0.00 H new ATOM 0 HG SER A 93 -8.102 14.036 23.941 1.00 0.00 H new ATOM 1399 N PRO A 94 -6.216 18.595 23.911 1.00 0.00 N ATOM 1400 CA PRO A 94 -5.713 19.360 25.056 1.00 0.00 C ATOM 1401 C PRO A 94 -6.484 19.059 26.337 1.00 0.00 C ATOM 1402 O PRO A 94 -7.714 19.035 26.340 1.00 0.00 O ATOM 1403 CB PRO A 94 -5.926 20.815 24.633 1.00 0.00 C ATOM 1404 CG PRO A 94 -7.043 20.764 23.649 1.00 0.00 C ATOM 1405 CD PRO A 94 -6.901 19.452 22.928 1.00 0.00 C ATOM 0 HA PRO A 94 -4.675 19.117 25.284 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -6.180 21.443 25.487 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.024 21.234 24.187 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.008 20.831 24.151 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -6.987 21.600 22.952 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.870 19.042 22.644 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.319 19.558 22.012 1.00 0.00 H new ATOM 1413 N ASN A 95 -5.753 18.832 27.423 1.00 0.00 N ATOM 1414 CA ASN A 95 -6.369 18.533 28.711 1.00 0.00 C ATOM 1415 C ASN A 95 -6.284 19.736 29.646 1.00 0.00 C ATOM 1416 O ASN A 95 -5.313 20.492 29.616 1.00 0.00 O ATOM 1417 CB ASN A 95 -5.691 17.322 29.355 1.00 0.00 C ATOM 1418 CG ASN A 95 -4.188 17.489 29.459 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -3.653 17.740 30.539 1.00 0.00 O ATOM 1420 ND2 ASN A 95 -3.498 17.349 28.333 1.00 0.00 N ATOM 0 H ASN A 95 -4.733 18.849 27.437 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.420 18.303 28.539 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.106 17.163 30.350 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -5.915 16.430 28.770 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -2.483 17.449 28.341 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.983 17.141 27.460 1.00 0.00 H new ATOM 1427 N SER A 96 -7.307 19.905 30.478 1.00 0.00 N ATOM 1428 CA SER A 96 -7.350 21.017 31.421 1.00 0.00 C ATOM 1429 C SER A 96 -7.403 20.508 32.858 1.00 0.00 C ATOM 1430 O SER A 96 -8.234 19.669 33.202 1.00 0.00 O ATOM 1431 CB SER A 96 -8.562 21.906 31.138 1.00 0.00 C ATOM 1432 OG SER A 96 -8.305 22.791 30.061 1.00 0.00 O ATOM 0 H SER A 96 -8.117 19.286 30.518 1.00 0.00 H new ATOM 0 HA SER A 96 -6.440 21.604 31.295 1.00 0.00 H new ATOM 0 HB2 SER A 96 -9.426 21.284 30.904 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.814 22.478 32.031 1.00 0.00 H new ATOM 0 HG SER A 96 -9.095 23.347 29.899 1.00 0.00 H new ATOM 1438 N GLY A 97 -6.507 21.024 33.695 1.00 0.00 N ATOM 1439 CA GLY A 97 -6.467 20.611 35.085 1.00 0.00 C ATOM 1440 C GLY A 97 -7.356 21.464 35.969 1.00 0.00 C ATOM 1441 O GLY A 97 -7.676 22.607 35.645 1.00 0.00 O ATOM 0 H GLY A 97 -5.809 21.720 33.435 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.777 19.569 35.160 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.440 20.665 35.447 1.00 0.00 H new ATOM 1445 N PRO A 98 -7.771 20.903 37.115 1.00 0.00 N ATOM 1446 CA PRO A 98 -8.635 21.601 38.071 1.00 0.00 C ATOM 1447 C PRO A 98 -7.913 22.744 38.777 1.00 0.00 C ATOM 1448 O PRO A 98 -6.820 22.563 39.313 1.00 0.00 O ATOM 1449 CB PRO A 98 -9.014 20.507 39.072 1.00 0.00 C ATOM 1450 CG PRO A 98 -7.901 19.520 38.992 1.00 0.00 C ATOM 1451 CD PRO A 98 -7.428 19.543 37.565 1.00 0.00 C ATOM 0 HA PRO A 98 -9.492 22.065 37.583 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -9.114 20.910 40.080 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -9.969 20.049 38.815 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -7.094 19.786 39.675 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -8.242 18.524 39.274 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -6.357 19.354 37.493 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -7.927 18.783 36.964 1.00 0.00 H new ATOM 1459 N SER A 99 -8.532 23.920 38.775 1.00 0.00 N ATOM 1460 CA SER A 99 -7.946 25.093 39.413 1.00 0.00 C ATOM 1461 C SER A 99 -8.384 25.194 40.871 1.00 0.00 C ATOM 1462 O SER A 99 -9.577 25.208 41.173 1.00 0.00 O ATOM 1463 CB SER A 99 -8.347 26.363 38.660 1.00 0.00 C ATOM 1464 OG SER A 99 -9.752 26.549 38.685 1.00 0.00 O ATOM 0 H SER A 99 -9.439 24.086 38.339 1.00 0.00 H new ATOM 0 HA SER A 99 -6.861 24.988 39.383 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.855 27.226 39.108 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.004 26.301 37.627 1.00 0.00 H new ATOM 0 HG SER A 99 -10.120 26.149 39.501 1.00 0.00 H new ATOM 1470 N SER A 100 -7.409 25.263 41.772 1.00 0.00 N ATOM 1471 CA SER A 100 -7.692 25.359 43.199 1.00 0.00 C ATOM 1472 C SER A 100 -6.646 26.217 43.904 1.00 0.00 C ATOM 1473 O SER A 100 -5.517 26.352 43.433 1.00 0.00 O ATOM 1474 CB SER A 100 -7.731 23.964 43.827 1.00 0.00 C ATOM 1475 OG SER A 100 -6.422 23.477 44.069 1.00 0.00 O ATOM 0 H SER A 100 -6.416 25.254 41.539 1.00 0.00 H new ATOM 0 HA SER A 100 -8.666 25.832 43.320 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.288 23.999 44.763 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.261 23.279 43.166 1.00 0.00 H new ATOM 0 HG SER A 100 -6.474 22.585 44.472 1.00 0.00 H new ATOM 1481 N GLY A 101 -7.031 26.796 45.037 1.00 0.00 N ATOM 1482 CA GLY A 101 -6.116 27.635 45.790 1.00 0.00 C ATOM 1483 C GLY A 101 -6.493 29.102 45.731 1.00 0.00 C ATOM 1484 O GLY A 101 -5.724 29.965 46.155 1.00 0.00 O ATOM 0 H GLY A 101 -7.960 26.699 45.447 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.101 27.308 46.830 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.106 27.507 45.401 1.00 0.00 H new TER 1488 GLY A 101