USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 730 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: 1 38 ASN : amide:sc= -7.54! C(o=-9.7!,f=-9!) USER MOD Set 1.2: 1 42 GLN : amide:sc= -2.21 K(o=-9.7,f=-9) USER MOD Single : 1 23 ASN : amide:sc= -1.03 X(o=-1,f=-0.69) USER MOD Single : 1 27 GLN : amide:sc= -0.198 K(o=-0.2,f=-2!) USER MOD Single : 1 32 SER OG : rot 27:sc= 0.296 USER MOD Single : 1 34 GLN : amide:sc= -0.0741 X(o=-0.074,f=0) USER MOD Single : 1 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 44 SER OG : rot 180:sc= 0 USER MOD Single : 1 45 THR OG1 : rot -34:sc= 0.737 USER MOD Single : 1 48 SER OG : rot 140:sc= -0.17 USER MOD Single : 1 52 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 74 TYR OH : rot 180:sc= 0 USER MOD Single : 1 75 TYR OH : rot 180:sc= 0 USER MOD Single : 1 76 GLN : amide:sc= -2.31 X(o=-2.3,f=-2.1) USER MOD Single : 1 78 THR OG1 : rot 82:sc= 0.0363 USER MOD Single : 1 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 92 GLN : amide:sc= -5.96! C(o=-6!,f=-10!) USER MOD Single : 1 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 99 THR OG1 : rot 180:sc= -0.296 USER MOD Single : 1 105 HIS : no HD1:sc= -0.435 X(o=-0.44,f=-0.094) USER MOD Single : 1 106 HIS : no HD1:sc= -0.761 X(o=-0.76,f=-0.64) USER MOD Single : 1 107 HIS : no HD1:sc= -0.0986 X(o=-0.099,f=0) USER MOD Single : 1 108 HIS : no HD1:sc= -0.014 X(o=-0.014,f=-0.085) USER MOD Single : 1 109 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.14) USER MOD Single : 1 110 HIS : no HD1:sc= -0.0565 X(o=-0.056,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA 1 22 -14.213 6.096 8.040 1.00 0.00 N ATOM 2 CA ALA 1 22 -14.401 7.025 9.184 1.00 0.00 C ATOM 3 C ALA 1 22 -13.082 7.283 9.903 1.00 0.00 C ATOM 4 O ALA 1 22 -12.606 8.417 9.961 1.00 0.00 O ATOM 5 CB ALA 1 22 -15.430 6.464 10.155 1.00 0.00 C ATOM 0 HA ALA 1 22 -14.765 7.975 8.793 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -15.558 7.155 10.989 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -16.383 6.335 9.641 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -15.087 5.500 10.532 1.00 0.00 H new ATOM 13 N ASN 1 23 -12.495 6.223 10.450 1.00 0.00 N ATOM 14 CA ASN 1 23 -11.229 6.335 11.165 1.00 0.00 C ATOM 15 C ASN 1 23 -10.319 5.152 10.850 1.00 0.00 C ATOM 16 O ASN 1 23 -10.224 4.205 11.630 1.00 0.00 O ATOM 17 CB ASN 1 23 -11.475 6.414 12.673 1.00 0.00 C ATOM 18 CG ASN 1 23 -11.713 7.834 13.147 1.00 0.00 C ATOM 19 OD1 ASN 1 23 -12.816 8.366 13.024 1.00 0.00 O ATOM 20 ND2 ASN 1 23 -10.674 8.458 13.692 1.00 0.00 N ATOM 0 H ASN 1 23 -12.876 5.277 10.412 1.00 0.00 H new ATOM 0 HA ASN 1 23 -10.735 7.249 10.835 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 -12.337 5.799 12.930 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 -10.617 5.997 13.200 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -10.773 9.416 14.028 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 -9.777 7.979 13.774 1.00 0.00 H new ATOM 27 N VAL 1 24 -9.652 5.213 9.702 1.00 0.00 N ATOM 28 CA VAL 1 24 -8.751 4.145 9.287 1.00 0.00 C ATOM 29 C VAL 1 24 -7.558 4.697 8.513 1.00 0.00 C ATOM 30 O VAL 1 24 -7.664 5.716 7.831 1.00 0.00 O ATOM 31 CB VAL 1 24 -9.478 3.098 8.419 1.00 0.00 C ATOM 32 CG1 VAL 1 24 -10.668 2.517 9.169 1.00 0.00 C ATOM 33 CG2 VAL 1 24 -9.919 3.707 7.094 1.00 0.00 C ATOM 0 H VAL 1 24 -9.718 5.989 9.044 1.00 0.00 H new ATOM 0 HA VAL 1 24 -8.395 3.663 10.197 1.00 0.00 H new ATOM 0 HB VAL 1 24 -8.781 2.288 8.203 1.00 0.00 H new ATOM 0 HG11 VAL 1 24 -11.169 1.780 8.541 1.00 0.00 H new ATOM 0 HG12 VAL 1 24 -10.322 2.038 10.085 1.00 0.00 H new ATOM 0 HG13 VAL 1 24 -11.366 3.316 9.418 1.00 0.00 H new ATOM 0 HG21 VAL 1 24 -10.430 2.951 6.498 1.00 0.00 H new ATOM 0 HG22 VAL 1 24 -10.598 4.539 7.284 1.00 0.00 H new ATOM 0 HG23 VAL 1 24 -9.046 4.068 6.551 1.00 0.00 H new ATOM 43 N ARG 1 25 -6.424 4.014 8.623 1.00 0.00 N ATOM 44 CA ARG 1 25 -5.208 4.430 7.933 1.00 0.00 C ATOM 45 C ARG 1 25 -4.347 3.222 7.576 1.00 0.00 C ATOM 46 O ARG 1 25 -3.954 2.450 8.450 1.00 0.00 O ATOM 47 CB ARG 1 25 -4.409 5.401 8.804 1.00 0.00 C ATOM 48 CG ARG 1 25 -4.896 6.840 8.714 1.00 0.00 C ATOM 49 CD ARG 1 25 -5.285 7.386 10.079 1.00 0.00 C ATOM 50 NE ARG 1 25 -4.864 8.775 10.253 1.00 0.00 N ATOM 51 CZ ARG 1 25 -4.811 9.391 11.431 1.00 0.00 C ATOM 52 NH1 ARG 1 25 -5.152 8.747 12.541 1.00 0.00 N ATOM 53 NH2 ARG 1 25 -4.417 10.655 11.501 1.00 0.00 N ATOM 0 H ARG 1 25 -6.321 3.169 9.184 1.00 0.00 H new ATOM 0 HA ARG 1 25 -5.497 4.934 7.011 1.00 0.00 H new ATOM 0 HB2 ARG 1 25 -4.461 5.073 9.842 1.00 0.00 H new ATOM 0 HB3 ARG 1 25 -3.360 5.362 8.510 1.00 0.00 H new ATOM 0 HG2 ARG 1 25 -4.113 7.463 8.282 1.00 0.00 H new ATOM 0 HG3 ARG 1 25 -5.753 6.893 8.042 1.00 0.00 H new ATOM 0 HD2 ARG 1 25 -6.366 7.316 10.203 1.00 0.00 H new ATOM 0 HD3 ARG 1 25 -4.835 6.770 10.858 1.00 0.00 H new ATOM 0 HE ARG 1 25 -4.595 9.303 9.423 1.00 0.00 H new ATOM 0 HH11 ARG 1 25 -5.457 7.775 12.493 1.00 0.00 H new ATOM 0 HH12 ARG 1 25 -5.109 9.225 13.441 1.00 0.00 H new ATOM 0 HH21 ARG 1 25 -4.155 11.155 10.652 1.00 0.00 H new ATOM 0 HH22 ARG 1 25 -4.376 11.127 12.404 1.00 0.00 H new ATOM 67 N LEU 1 26 -4.057 3.063 6.288 1.00 0.00 N ATOM 68 CA LEU 1 26 -3.243 1.948 5.824 1.00 0.00 C ATOM 69 C LEU 1 26 -1.770 2.177 6.150 1.00 0.00 C ATOM 70 O LEU 1 26 -1.213 3.231 5.844 1.00 0.00 O ATOM 71 CB LEU 1 26 -3.427 1.750 4.317 1.00 0.00 C ATOM 72 CG LEU 1 26 -4.309 0.564 3.923 1.00 0.00 C ATOM 73 CD1 LEU 1 26 -5.637 0.617 4.662 1.00 0.00 C ATOM 74 CD2 LEU 1 26 -4.534 0.546 2.418 1.00 0.00 C ATOM 0 H LEU 1 26 -4.374 3.692 5.550 1.00 0.00 H new ATOM 0 HA LEU 1 26 -3.571 1.047 6.342 1.00 0.00 H new ATOM 0 HB2 LEU 1 26 -3.857 2.659 3.896 1.00 0.00 H new ATOM 0 HB3 LEU 1 26 -2.446 1.621 3.860 1.00 0.00 H new ATOM 0 HG LEU 1 26 -3.797 -0.356 4.206 1.00 0.00 H new ATOM 0 HD11 LEU 1 26 -6.251 -0.235 4.369 1.00 0.00 H new ATOM 0 HD12 LEU 1 26 -5.457 0.582 5.736 1.00 0.00 H new ATOM 0 HD13 LEU 1 26 -6.156 1.542 4.411 1.00 0.00 H new ATOM 0 HD21 LEU 1 26 -5.163 -0.304 2.154 1.00 0.00 H new ATOM 0 HD22 LEU 1 26 -5.025 1.470 2.112 1.00 0.00 H new ATOM 0 HD23 LEU 1 26 -3.575 0.459 1.908 1.00 0.00 H new ATOM 86 N GLN 1 27 -1.146 1.183 6.776 1.00 0.00 N ATOM 87 CA GLN 1 27 0.263 1.277 7.146 1.00 0.00 C ATOM 88 C GLN 1 27 1.162 0.851 5.990 1.00 0.00 C ATOM 89 O GLN 1 27 0.772 0.033 5.156 1.00 0.00 O ATOM 90 CB GLN 1 27 0.547 0.413 8.377 1.00 0.00 C ATOM 91 CG GLN 1 27 0.521 1.188 9.684 1.00 0.00 C ATOM 92 CD GLN 1 27 1.392 0.558 10.753 1.00 0.00 C ATOM 93 OE1 GLN 1 27 2.343 -0.163 10.450 1.00 0.00 O ATOM 94 NE2 GLN 1 27 1.072 0.828 12.013 1.00 0.00 N ATOM 0 H GLN 1 27 -1.593 0.304 7.037 1.00 0.00 H new ATOM 0 HA GLN 1 27 0.481 2.318 7.383 1.00 0.00 H new ATOM 0 HB2 GLN 1 27 -0.190 -0.389 8.425 1.00 0.00 H new ATOM 0 HB3 GLN 1 27 1.524 -0.058 8.263 1.00 0.00 H new ATOM 0 HG2 GLN 1 27 0.856 2.209 9.503 1.00 0.00 H new ATOM 0 HG3 GLN 1 27 -0.505 1.248 10.046 1.00 0.00 H new ATOM 0 HE21 GLN 1 27 0.275 1.431 12.219 1.00 0.00 H new ATOM 0 HE22 GLN 1 27 1.623 0.433 12.775 1.00 0.00 H new ATOM 103 N VAL 1 28 2.367 1.410 5.946 1.00 0.00 N ATOM 104 CA VAL 1 28 3.323 1.089 4.892 1.00 0.00 C ATOM 105 C VAL 1 28 4.431 0.177 5.407 1.00 0.00 C ATOM 106 O VAL 1 28 4.951 0.375 6.505 1.00 0.00 O ATOM 107 CB VAL 1 28 3.962 2.361 4.299 1.00 0.00 C ATOM 108 CG1 VAL 1 28 3.033 3.001 3.281 1.00 0.00 C ATOM 109 CG2 VAL 1 28 4.322 3.349 5.399 1.00 0.00 C ATOM 0 H VAL 1 28 2.705 2.088 6.629 1.00 0.00 H new ATOM 0 HA VAL 1 28 2.762 0.573 4.112 1.00 0.00 H new ATOM 0 HB VAL 1 28 4.882 2.075 3.789 1.00 0.00 H new ATOM 0 HG11 VAL 1 28 3.501 3.897 2.874 1.00 0.00 H new ATOM 0 HG12 VAL 1 28 2.836 2.295 2.474 1.00 0.00 H new ATOM 0 HG13 VAL 1 28 2.094 3.270 3.764 1.00 0.00 H new ATOM 0 HG21 VAL 1 28 4.771 4.238 4.957 1.00 0.00 H new ATOM 0 HG22 VAL 1 28 3.421 3.630 5.944 1.00 0.00 H new ATOM 0 HG23 VAL 1 28 5.032 2.887 6.085 1.00 0.00 H new ATOM 119 N GLU 1 29 4.789 -0.821 4.605 1.00 0.00 N ATOM 120 CA GLU 1 29 5.838 -1.762 4.980 1.00 0.00 C ATOM 121 C GLU 1 29 6.641 -2.203 3.758 1.00 0.00 C ATOM 122 O GLU 1 29 6.078 -2.654 2.761 1.00 0.00 O ATOM 123 CB GLU 1 29 5.232 -2.982 5.676 1.00 0.00 C ATOM 124 CG GLU 1 29 5.326 -2.925 7.192 1.00 0.00 C ATOM 125 CD GLU 1 29 5.668 -4.268 7.807 1.00 0.00 C ATOM 126 OE1 GLU 1 29 6.861 -4.635 7.805 1.00 0.00 O ATOM 127 OE2 GLU 1 29 4.742 -4.953 8.290 1.00 0.00 O ATOM 0 H GLU 1 29 4.369 -0.999 3.693 1.00 0.00 H new ATOM 0 HA GLU 1 29 6.514 -1.257 5.670 1.00 0.00 H new ATOM 0 HB2 GLU 1 29 4.185 -3.071 5.388 1.00 0.00 H new ATOM 0 HB3 GLU 1 29 5.738 -3.880 5.322 1.00 0.00 H new ATOM 0 HG2 GLU 1 29 6.084 -2.195 7.478 1.00 0.00 H new ATOM 0 HG3 GLU 1 29 4.377 -2.575 7.598 1.00 0.00 H new ATOM 134 N GLY 1 30 7.961 -2.070 3.847 1.00 0.00 N ATOM 135 CA GLY 1 30 8.826 -2.459 2.747 1.00 0.00 C ATOM 136 C GLY 1 30 8.855 -1.432 1.634 1.00 0.00 C ATOM 137 O GLY 1 30 8.743 -1.776 0.458 1.00 0.00 O ATOM 0 H GLY 1 30 8.448 -1.699 4.663 1.00 0.00 H new ATOM 0 HA2 GLY 1 30 9.838 -2.611 3.122 1.00 0.00 H new ATOM 0 HA3 GLY 1 30 8.489 -3.414 2.345 1.00 0.00 H new ATOM 141 N LEU 1 31 9.005 -0.167 2.009 1.00 0.00 N ATOM 142 CA LEU 1 31 9.047 0.921 1.044 1.00 0.00 C ATOM 143 C LEU 1 31 10.080 1.965 1.453 1.00 0.00 C ATOM 144 O LEU 1 31 10.324 2.177 2.641 1.00 0.00 O ATOM 145 CB LEU 1 31 7.670 1.560 0.927 1.00 0.00 C ATOM 146 CG LEU 1 31 6.534 0.569 0.698 1.00 0.00 C ATOM 147 CD1 LEU 1 31 5.195 1.202 1.031 1.00 0.00 C ATOM 148 CD2 LEU 1 31 6.557 0.077 -0.738 1.00 0.00 C ATOM 0 H LEU 1 31 9.100 0.130 2.980 1.00 0.00 H new ATOM 0 HA LEU 1 31 9.337 0.516 0.074 1.00 0.00 H new ATOM 0 HB2 LEU 1 31 7.466 2.124 1.837 1.00 0.00 H new ATOM 0 HB3 LEU 1 31 7.683 2.275 0.105 1.00 0.00 H new ATOM 0 HG LEU 1 31 6.674 -0.285 1.361 1.00 0.00 H new ATOM 0 HD11 LEU 1 31 4.398 0.478 0.861 1.00 0.00 H new ATOM 0 HD12 LEU 1 31 5.188 1.510 2.077 1.00 0.00 H new ATOM 0 HD13 LEU 1 31 5.036 2.073 0.395 1.00 0.00 H new ATOM 0 HD21 LEU 1 31 5.742 -0.630 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU 1 31 6.437 0.923 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU 1 31 7.508 -0.415 -0.939 1.00 0.00 H new ATOM 160 N SER 1 32 10.689 2.611 0.466 1.00 0.00 N ATOM 161 CA SER 1 32 11.701 3.627 0.732 1.00 0.00 C ATOM 162 C SER 1 32 11.745 4.669 -0.382 1.00 0.00 C ATOM 163 O SER 1 32 11.057 4.541 -1.394 1.00 0.00 O ATOM 164 CB SER 1 32 13.073 2.972 0.882 1.00 0.00 C ATOM 165 OG SER 1 32 13.286 2.531 2.212 1.00 0.00 O ATOM 0 H SER 1 32 10.501 2.450 -0.524 1.00 0.00 H new ATOM 0 HA SER 1 32 11.435 4.132 1.661 1.00 0.00 H new ATOM 0 HB2 SER 1 32 13.152 2.127 0.198 1.00 0.00 H new ATOM 0 HB3 SER 1 32 13.851 3.682 0.602 1.00 0.00 H new ATOM 0 HG SER 1 32 12.423 2.344 2.637 1.00 0.00 H new ATOM 171 N GLY 1 33 12.562 5.701 -0.186 1.00 0.00 N ATOM 172 CA GLY 1 33 12.687 6.753 -1.180 1.00 0.00 C ATOM 173 C GLY 1 33 11.344 7.295 -1.628 1.00 0.00 C ATOM 174 O GLY 1 33 10.626 7.916 -0.845 1.00 0.00 O ATOM 0 H GLY 1 33 13.140 5.827 0.645 1.00 0.00 H new ATOM 0 HA2 GLY 1 33 13.284 7.567 -0.769 1.00 0.00 H new ATOM 0 HA3 GLY 1 33 13.226 6.368 -2.045 1.00 0.00 H new ATOM 178 N GLN 1 34 11.004 7.055 -2.890 1.00 0.00 N ATOM 179 CA GLN 1 34 9.736 7.517 -3.443 1.00 0.00 C ATOM 180 C GLN 1 34 8.672 6.424 -3.364 1.00 0.00 C ATOM 181 O GLN 1 34 7.481 6.693 -3.523 1.00 0.00 O ATOM 182 CB GLN 1 34 9.922 7.960 -4.895 1.00 0.00 C ATOM 183 CG GLN 1 34 10.317 9.420 -5.040 1.00 0.00 C ATOM 184 CD GLN 1 34 11.798 9.600 -5.310 1.00 0.00 C ATOM 185 OE1 GLN 1 34 12.511 10.231 -4.530 1.00 0.00 O ATOM 186 NE2 GLN 1 34 12.269 9.044 -6.420 1.00 0.00 N ATOM 0 H GLN 1 34 11.589 6.543 -3.550 1.00 0.00 H new ATOM 0 HA GLN 1 34 9.399 8.367 -2.850 1.00 0.00 H new ATOM 0 HB2 GLN 1 34 10.686 7.338 -5.361 1.00 0.00 H new ATOM 0 HB3 GLN 1 34 8.994 7.787 -5.440 1.00 0.00 H new ATOM 0 HG2 GLN 1 34 9.746 9.868 -5.854 1.00 0.00 H new ATOM 0 HG3 GLN 1 34 10.050 9.957 -4.130 1.00 0.00 H new ATOM 0 HE21 GLN 1 34 11.642 8.529 -7.038 1.00 0.00 H new ATOM 0 HE22 GLN 1 34 13.258 9.131 -6.654 1.00 0.00 H new ATOM 195 N LEU 1 35 9.107 5.190 -3.118 1.00 0.00 N ATOM 196 CA LEU 1 35 8.192 4.061 -3.018 1.00 0.00 C ATOM 197 C LEU 1 35 7.245 4.234 -1.837 1.00 0.00 C ATOM 198 O LEU 1 35 6.026 4.186 -1.992 1.00 0.00 O ATOM 199 CB LEU 1 35 8.977 2.761 -2.874 1.00 0.00 C ATOM 200 CG LEU 1 35 9.610 2.237 -4.166 1.00 0.00 C ATOM 201 CD1 LEU 1 35 8.671 1.287 -4.881 1.00 0.00 C ATOM 202 CD2 LEU 1 35 9.996 3.379 -5.091 1.00 0.00 C ATOM 0 H LEU 1 35 10.089 4.949 -2.984 1.00 0.00 H new ATOM 0 HA LEU 1 35 7.598 4.020 -3.931 1.00 0.00 H new ATOM 0 HB2 LEU 1 35 9.765 2.911 -2.136 1.00 0.00 H new ATOM 0 HB3 LEU 1 35 8.311 1.995 -2.477 1.00 0.00 H new ATOM 0 HG LEU 1 35 10.515 1.695 -3.891 1.00 0.00 H new ATOM 0 HD11 LEU 1 35 9.143 0.928 -5.796 1.00 0.00 H new ATOM 0 HD12 LEU 1 35 8.447 0.440 -4.232 1.00 0.00 H new ATOM 0 HD13 LEU 1 35 7.747 1.808 -5.130 1.00 0.00 H new ATOM 0 HD21 LEU 1 35 10.443 2.976 -6.000 1.00 0.00 H new ATOM 0 HD22 LEU 1 35 9.107 3.955 -5.348 1.00 0.00 H new ATOM 0 HD23 LEU 1 35 10.715 4.026 -4.589 1.00 0.00 H new ATOM 214 N GLU 1 36 7.821 4.440 -0.656 1.00 0.00 N ATOM 215 CA GLU 1 36 7.039 4.627 0.558 1.00 0.00 C ATOM 216 C GLU 1 36 6.063 5.789 0.394 1.00 0.00 C ATOM 217 O GLU 1 36 4.946 5.756 0.911 1.00 0.00 O ATOM 218 CB GLU 1 36 7.984 4.855 1.748 1.00 0.00 C ATOM 219 CG GLU 1 36 7.566 5.976 2.689 1.00 0.00 C ATOM 220 CD GLU 1 36 7.913 7.350 2.150 1.00 0.00 C ATOM 221 OE1 GLU 1 36 8.993 7.493 1.538 1.00 0.00 O ATOM 222 OE2 GLU 1 36 7.106 8.284 2.342 1.00 0.00 O ATOM 0 H GLU 1 36 8.830 4.481 -0.516 1.00 0.00 H new ATOM 0 HA GLU 1 36 6.450 3.730 0.749 1.00 0.00 H new ATOM 0 HB2 GLU 1 36 8.057 3.929 2.318 1.00 0.00 H new ATOM 0 HB3 GLU 1 36 8.981 5.073 1.366 1.00 0.00 H new ATOM 0 HG2 GLU 1 36 6.491 5.918 2.862 1.00 0.00 H new ATOM 0 HG3 GLU 1 36 8.052 5.835 3.654 1.00 0.00 H new ATOM 229 N LYS 1 37 6.494 6.810 -0.335 1.00 0.00 N ATOM 230 CA LYS 1 37 5.661 7.983 -0.579 1.00 0.00 C ATOM 231 C LYS 1 37 4.497 7.629 -1.497 1.00 0.00 C ATOM 232 O LYS 1 37 3.333 7.872 -1.169 1.00 0.00 O ATOM 233 CB LYS 1 37 6.488 9.112 -1.203 1.00 0.00 C ATOM 234 CG LYS 1 37 7.913 9.193 -0.680 1.00 0.00 C ATOM 235 CD LYS 1 37 8.577 10.503 -1.073 1.00 0.00 C ATOM 236 CE LYS 1 37 7.973 11.681 -0.326 1.00 0.00 C ATOM 237 NZ LYS 1 37 8.846 12.135 0.792 1.00 0.00 N ATOM 0 H LYS 1 37 7.416 6.851 -0.769 1.00 0.00 H new ATOM 0 HA LYS 1 37 5.267 8.323 0.379 1.00 0.00 H new ATOM 0 HB2 LYS 1 37 6.515 8.974 -2.284 1.00 0.00 H new ATOM 0 HB3 LYS 1 37 5.988 10.062 -1.015 1.00 0.00 H new ATOM 0 HG2 LYS 1 37 7.909 9.097 0.406 1.00 0.00 H new ATOM 0 HG3 LYS 1 37 8.494 8.358 -1.072 1.00 0.00 H new ATOM 0 HD2 LYS 1 37 9.645 10.448 -0.864 1.00 0.00 H new ATOM 0 HD3 LYS 1 37 8.470 10.658 -2.147 1.00 0.00 H new ATOM 0 HE2 LYS 1 37 7.812 12.507 -1.019 1.00 0.00 H new ATOM 0 HE3 LYS 1 37 6.996 11.400 0.067 1.00 0.00 H new ATOM 0 HZ1 LYS 1 37 8.399 12.940 1.277 1.00 0.00 H new ATOM 0 HZ2 LYS 1 37 8.980 11.355 1.467 1.00 0.00 H new ATOM 0 HZ3 LYS 1 37 9.770 12.428 0.414 1.00 0.00 H new ATOM 251 N ASN 1 38 4.819 7.049 -2.651 1.00 0.00 N ATOM 252 CA ASN 1 38 3.804 6.657 -3.620 1.00 0.00 C ATOM 253 C ASN 1 38 2.769 5.737 -2.980 1.00 0.00 C ATOM 254 O ASN 1 38 1.564 5.929 -3.148 1.00 0.00 O ATOM 255 CB ASN 1 38 4.457 5.963 -4.817 1.00 0.00 C ATOM 256 CG ASN 1 38 3.982 6.527 -6.142 1.00 0.00 C ATOM 257 OD1 ASN 1 38 4.176 7.707 -6.432 1.00 0.00 O ATOM 258 ND2 ASN 1 38 3.355 5.683 -6.953 1.00 0.00 N ATOM 0 H ASN 1 38 5.776 6.841 -2.936 1.00 0.00 H new ATOM 0 HA ASN 1 38 3.295 7.557 -3.965 1.00 0.00 H new ATOM 0 HB2 ASN 1 38 5.540 6.068 -4.748 1.00 0.00 H new ATOM 0 HB3 ASN 1 38 4.237 4.896 -4.779 1.00 0.00 H new ATOM 0 HD21 ASN 1 38 3.012 6.005 -7.858 1.00 0.00 H new ATOM 0 HD22 ASN 1 38 3.216 4.713 -6.671 1.00 0.00 H new ATOM 265 N VAL 1 39 3.247 4.741 -2.241 1.00 0.00 N ATOM 266 CA VAL 1 39 2.362 3.798 -1.571 1.00 0.00 C ATOM 267 C VAL 1 39 1.435 4.519 -0.604 1.00 0.00 C ATOM 268 O VAL 1 39 0.225 4.304 -0.615 1.00 0.00 O ATOM 269 CB VAL 1 39 3.152 2.723 -0.803 1.00 0.00 C ATOM 270 CG1 VAL 1 39 2.219 1.629 -0.304 1.00 0.00 C ATOM 271 CG2 VAL 1 39 4.251 2.142 -1.681 1.00 0.00 C ATOM 0 H VAL 1 39 4.241 4.567 -2.092 1.00 0.00 H new ATOM 0 HA VAL 1 39 1.773 3.311 -2.348 1.00 0.00 H new ATOM 0 HB VAL 1 39 3.620 3.189 0.064 1.00 0.00 H new ATOM 0 HG11 VAL 1 39 2.795 0.878 0.236 1.00 0.00 H new ATOM 0 HG12 VAL 1 39 1.473 2.063 0.362 1.00 0.00 H new ATOM 0 HG13 VAL 1 39 1.720 1.162 -1.153 1.00 0.00 H new ATOM 0 HG21 VAL 1 39 4.800 1.384 -1.123 1.00 0.00 H new ATOM 0 HG22 VAL 1 39 3.807 1.690 -2.568 1.00 0.00 H new ATOM 0 HG23 VAL 1 39 4.934 2.936 -1.982 1.00 0.00 H new ATOM 281 N ARG 1 40 2.009 5.386 0.227 1.00 0.00 N ATOM 282 CA ARG 1 40 1.229 6.148 1.197 1.00 0.00 C ATOM 283 C ARG 1 40 0.022 6.793 0.524 1.00 0.00 C ATOM 284 O ARG 1 40 -1.104 6.692 1.013 1.00 0.00 O ATOM 285 CB ARG 1 40 2.099 7.221 1.854 1.00 0.00 C ATOM 286 CG ARG 1 40 1.806 7.420 3.333 1.00 0.00 C ATOM 287 CD ARG 1 40 2.236 6.214 4.152 1.00 0.00 C ATOM 288 NE ARG 1 40 1.887 6.359 5.563 1.00 0.00 N ATOM 289 CZ ARG 1 40 2.581 7.096 6.427 1.00 0.00 C ATOM 290 NH1 ARG 1 40 3.662 7.756 6.029 1.00 0.00 N ATOM 291 NH2 ARG 1 40 2.194 7.174 7.693 1.00 0.00 N ATOM 0 H ARG 1 40 3.011 5.578 0.248 1.00 0.00 H new ATOM 0 HA ARG 1 40 0.874 5.463 1.967 1.00 0.00 H new ATOM 0 HB2 ARG 1 40 3.148 6.951 1.733 1.00 0.00 H new ATOM 0 HB3 ARG 1 40 1.951 8.167 1.332 1.00 0.00 H new ATOM 0 HG2 ARG 1 40 2.325 8.309 3.692 1.00 0.00 H new ATOM 0 HG3 ARG 1 40 0.739 7.595 3.474 1.00 0.00 H new ATOM 0 HD2 ARG 1 40 1.764 5.317 3.752 1.00 0.00 H new ATOM 0 HD3 ARG 1 40 3.313 6.077 4.057 1.00 0.00 H new ATOM 0 HE ARG 1 40 1.063 5.866 5.906 1.00 0.00 H new ATOM 0 HH11 ARG 1 40 3.965 7.700 5.057 1.00 0.00 H new ATOM 0 HH12 ARG 1 40 4.190 8.319 6.696 1.00 0.00 H new ATOM 0 HH21 ARG 1 40 1.364 6.669 8.005 1.00 0.00 H new ATOM 0 HH22 ARG 1 40 2.726 7.739 8.355 1.00 0.00 H new ATOM 305 N ALA 1 41 0.264 7.444 -0.611 1.00 0.00 N ATOM 306 CA ALA 1 41 -0.808 8.090 -1.357 1.00 0.00 C ATOM 307 C ALA 1 41 -1.876 7.072 -1.743 1.00 0.00 C ATOM 308 O ALA 1 41 -3.068 7.283 -1.509 1.00 0.00 O ATOM 309 CB ALA 1 41 -0.253 8.775 -2.597 1.00 0.00 C ATOM 0 H ALA 1 41 1.189 7.537 -1.031 1.00 0.00 H new ATOM 0 HA ALA 1 41 -1.266 8.847 -0.720 1.00 0.00 H new ATOM 0 HB1 ALA 1 41 -1.066 9.253 -3.143 1.00 0.00 H new ATOM 0 HB2 ALA 1 41 0.477 9.528 -2.301 1.00 0.00 H new ATOM 0 HB3 ALA 1 41 0.228 8.035 -3.237 1.00 0.00 H new ATOM 315 N GLN 1 42 -1.438 5.957 -2.319 1.00 0.00 N ATOM 316 CA GLN 1 42 -2.353 4.900 -2.720 1.00 0.00 C ATOM 317 C GLN 1 42 -3.064 4.340 -1.497 1.00 0.00 C ATOM 318 O GLN 1 42 -4.256 4.039 -1.542 1.00 0.00 O ATOM 319 CB GLN 1 42 -1.598 3.785 -3.447 1.00 0.00 C ATOM 320 CG GLN 1 42 -1.257 4.122 -4.889 1.00 0.00 C ATOM 321 CD GLN 1 42 0.194 4.526 -5.066 1.00 0.00 C ATOM 322 OE1 GLN 1 42 0.492 5.640 -5.496 1.00 0.00 O ATOM 323 NE2 GLN 1 42 1.105 3.620 -4.734 1.00 0.00 N ATOM 0 H GLN 1 42 -0.456 5.764 -2.517 1.00 0.00 H new ATOM 0 HA GLN 1 42 -3.093 5.318 -3.403 1.00 0.00 H new ATOM 0 HB2 GLN 1 42 -0.677 3.568 -2.906 1.00 0.00 H new ATOM 0 HB3 GLN 1 42 -2.201 2.877 -3.427 1.00 0.00 H new ATOM 0 HG2 GLN 1 42 -1.470 3.259 -5.520 1.00 0.00 H new ATOM 0 HG3 GLN 1 42 -1.900 4.933 -5.231 1.00 0.00 H new ATOM 0 HE21 GLN 1 42 0.813 2.709 -4.381 1.00 0.00 H new ATOM 0 HE22 GLN 1 42 2.097 3.835 -4.831 1.00 0.00 H new ATOM 332 N LEU 1 43 -2.321 4.220 -0.400 1.00 0.00 N ATOM 333 CA LEU 1 43 -2.872 3.711 0.848 1.00 0.00 C ATOM 334 C LEU 1 43 -4.061 4.555 1.288 1.00 0.00 C ATOM 335 O LEU 1 43 -5.016 4.049 1.877 1.00 0.00 O ATOM 336 CB LEU 1 43 -1.796 3.705 1.941 1.00 0.00 C ATOM 337 CG LEU 1 43 -0.588 2.788 1.687 1.00 0.00 C ATOM 338 CD1 LEU 1 43 -0.201 2.055 2.961 1.00 0.00 C ATOM 339 CD2 LEU 1 43 -0.874 1.791 0.571 1.00 0.00 C ATOM 0 H LEU 1 43 -1.333 4.470 -0.352 1.00 0.00 H new ATOM 0 HA LEU 1 43 -3.212 2.688 0.684 1.00 0.00 H new ATOM 0 HB2 LEU 1 43 -1.433 4.724 2.072 1.00 0.00 H new ATOM 0 HB3 LEU 1 43 -2.262 3.409 2.881 1.00 0.00 H new ATOM 0 HG LEU 1 43 0.246 3.415 1.373 1.00 0.00 H new ATOM 0 HD11 LEU 1 43 0.656 1.410 2.764 1.00 0.00 H new ATOM 0 HD12 LEU 1 43 0.060 2.779 3.733 1.00 0.00 H new ATOM 0 HD13 LEU 1 43 -1.041 1.449 3.301 1.00 0.00 H new ATOM 0 HD21 LEU 1 43 -0.000 1.158 0.416 1.00 0.00 H new ATOM 0 HD22 LEU 1 43 -1.727 1.171 0.847 1.00 0.00 H new ATOM 0 HD23 LEU 1 43 -1.099 2.330 -0.349 1.00 0.00 H new ATOM 351 N SER 1 44 -3.996 5.848 0.987 1.00 0.00 N ATOM 352 CA SER 1 44 -5.067 6.771 1.340 1.00 0.00 C ATOM 353 C SER 1 44 -6.161 6.772 0.274 1.00 0.00 C ATOM 354 O SER 1 44 -7.296 7.169 0.540 1.00 0.00 O ATOM 355 CB SER 1 44 -4.511 8.185 1.516 1.00 0.00 C ATOM 356 OG SER 1 44 -4.064 8.396 2.844 1.00 0.00 O ATOM 0 H SER 1 44 -3.212 6.280 0.499 1.00 0.00 H new ATOM 0 HA SER 1 44 -5.503 6.438 2.282 1.00 0.00 H new ATOM 0 HB2 SER 1 44 -3.686 8.344 0.822 1.00 0.00 H new ATOM 0 HB3 SER 1 44 -5.281 8.915 1.268 1.00 0.00 H new ATOM 0 HG SER 1 44 -3.712 9.306 2.930 1.00 0.00 H new ATOM 362 N THR 1 45 -5.817 6.325 -0.933 1.00 0.00 N ATOM 363 CA THR 1 45 -6.779 6.279 -2.031 1.00 0.00 C ATOM 364 C THR 1 45 -7.593 4.987 -1.996 1.00 0.00 C ATOM 365 O THR 1 45 -8.682 4.915 -2.566 1.00 0.00 O ATOM 366 CB THR 1 45 -6.063 6.406 -3.377 1.00 0.00 C ATOM 367 OG1 THR 1 45 -5.421 5.191 -3.723 1.00 0.00 O ATOM 368 CG2 THR 1 45 -5.018 7.500 -3.400 1.00 0.00 C ATOM 0 H THR 1 45 -4.884 5.991 -1.174 1.00 0.00 H new ATOM 0 HA THR 1 45 -7.462 7.120 -1.910 1.00 0.00 H new ATOM 0 HB THR 1 45 -6.844 6.657 -4.094 1.00 0.00 H new ATOM 0 HG1 THR 1 45 -5.093 4.751 -2.911 1.00 0.00 H new ATOM 0 HG21 THR 1 45 -4.549 7.535 -4.384 1.00 0.00 H new ATOM 0 HG22 THR 1 45 -5.491 8.459 -3.189 1.00 0.00 H new ATOM 0 HG23 THR 1 45 -4.260 7.295 -2.644 1.00 0.00 H new ATOM 376 N ILE 1 46 -7.059 3.969 -1.326 1.00 0.00 N ATOM 377 CA ILE 1 46 -7.736 2.680 -1.218 1.00 0.00 C ATOM 378 C ILE 1 46 -9.187 2.851 -0.758 1.00 0.00 C ATOM 379 O ILE 1 46 -9.560 3.888 -0.210 1.00 0.00 O ATOM 380 CB ILE 1 46 -6.985 1.738 -0.240 1.00 0.00 C ATOM 381 CG1 ILE 1 46 -5.609 1.357 -0.796 1.00 0.00 C ATOM 382 CG2 ILE 1 46 -7.791 0.479 0.046 1.00 0.00 C ATOM 383 CD1 ILE 1 46 -5.629 0.932 -2.250 1.00 0.00 C ATOM 0 H ILE 1 46 -6.158 4.012 -0.849 1.00 0.00 H new ATOM 0 HA ILE 1 46 -7.736 2.231 -2.211 1.00 0.00 H new ATOM 0 HB ILE 1 46 -6.851 2.282 0.695 1.00 0.00 H new ATOM 0 HG12 ILE 1 46 -4.936 2.207 -0.686 1.00 0.00 H new ATOM 0 HG13 ILE 1 46 -5.198 0.545 -0.196 1.00 0.00 H new ATOM 0 HG21 ILE 1 46 -7.237 -0.159 0.734 1.00 0.00 H new ATOM 0 HG22 ILE 1 46 -8.746 0.752 0.494 1.00 0.00 H new ATOM 0 HG23 ILE 1 46 -7.968 -0.059 -0.885 1.00 0.00 H new ATOM 0 HD11 ILE 1 46 -4.618 0.678 -2.569 1.00 0.00 H new ATOM 0 HD12 ILE 1 46 -6.275 0.062 -2.366 1.00 0.00 H new ATOM 0 HD13 ILE 1 46 -6.008 1.750 -2.863 1.00 0.00 H new ATOM 395 N GLU 1 47 -9.993 1.818 -0.989 1.00 0.00 N ATOM 396 CA GLU 1 47 -11.404 1.819 -0.610 1.00 0.00 C ATOM 397 C GLU 1 47 -11.601 1.929 0.906 1.00 0.00 C ATOM 398 O GLU 1 47 -12.732 1.906 1.387 1.00 0.00 O ATOM 399 CB GLU 1 47 -12.084 0.551 -1.124 1.00 0.00 C ATOM 400 CG GLU 1 47 -11.775 0.244 -2.581 1.00 0.00 C ATOM 401 CD GLU 1 47 -12.964 0.479 -3.492 1.00 0.00 C ATOM 402 OE1 GLU 1 47 -13.928 -0.313 -3.426 1.00 0.00 O ATOM 403 OE2 GLU 1 47 -12.931 1.454 -4.271 1.00 0.00 O ATOM 0 H GLU 1 47 -9.687 0.958 -1.444 1.00 0.00 H new ATOM 0 HA GLU 1 47 -11.859 2.699 -1.066 1.00 0.00 H new ATOM 0 HB2 GLU 1 47 -11.772 -0.293 -0.509 1.00 0.00 H new ATOM 0 HB3 GLU 1 47 -13.163 0.652 -1.003 1.00 0.00 H new ATOM 0 HG2 GLU 1 47 -10.942 0.865 -2.910 1.00 0.00 H new ATOM 0 HG3 GLU 1 47 -11.454 -0.794 -2.669 1.00 0.00 H new ATOM 410 N SER 1 48 -10.507 2.036 1.659 1.00 0.00 N ATOM 411 CA SER 1 48 -10.575 2.134 3.118 1.00 0.00 C ATOM 412 C SER 1 48 -11.376 3.353 3.590 1.00 0.00 C ATOM 413 O SER 1 48 -11.386 3.666 4.781 1.00 0.00 O ATOM 414 CB SER 1 48 -9.164 2.183 3.709 1.00 0.00 C ATOM 415 OG SER 1 48 -8.196 1.772 2.758 1.00 0.00 O ATOM 0 H SER 1 48 -9.559 2.057 1.282 1.00 0.00 H new ATOM 0 HA SER 1 48 -11.097 1.245 3.472 1.00 0.00 H new ATOM 0 HB2 SER 1 48 -8.942 3.196 4.043 1.00 0.00 H new ATOM 0 HB3 SER 1 48 -9.112 1.539 4.587 1.00 0.00 H new ATOM 0 HG SER 1 48 -7.403 2.343 2.830 1.00 0.00 H new ATOM 421 N ASP 1 49 -12.054 4.030 2.668 1.00 0.00 N ATOM 422 CA ASP 1 49 -12.863 5.196 3.002 1.00 0.00 C ATOM 423 C ASP 1 49 -14.199 4.781 3.617 1.00 0.00 C ATOM 424 O ASP 1 49 -15.220 5.433 3.395 1.00 0.00 O ATOM 425 CB ASP 1 49 -13.102 6.041 1.753 1.00 0.00 C ATOM 426 CG ASP 1 49 -13.929 5.314 0.709 1.00 0.00 C ATOM 427 OD1 ASP 1 49 -13.458 4.278 0.194 1.00 0.00 O ATOM 428 OD2 ASP 1 49 -15.047 5.782 0.407 1.00 0.00 O ATOM 0 H ASP 1 49 -12.058 3.788 1.677 1.00 0.00 H new ATOM 0 HA ASP 1 49 -12.319 5.788 3.739 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -13.608 6.964 2.034 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -12.142 6.323 1.320 1.00 0.00 H new ATOM 433 N GLU 1 50 -14.182 3.684 4.376 1.00 0.00 N ATOM 434 CA GLU 1 50 -15.376 3.146 5.025 1.00 0.00 C ATOM 435 C GLU 1 50 -16.107 2.179 4.099 1.00 0.00 C ATOM 436 O GLU 1 50 -17.163 2.499 3.552 1.00 0.00 O ATOM 437 CB GLU 1 50 -16.320 4.265 5.481 1.00 0.00 C ATOM 438 CG GLU 1 50 -16.906 4.031 6.861 1.00 0.00 C ATOM 439 CD GLU 1 50 -18.295 3.425 6.810 1.00 0.00 C ATOM 440 OE1 GLU 1 50 -19.210 4.084 6.274 1.00 0.00 O ATOM 441 OE2 GLU 1 50 -18.467 2.292 7.307 1.00 0.00 O ATOM 0 H GLU 1 50 -13.337 3.143 4.558 1.00 0.00 H new ATOM 0 HA GLU 1 50 -15.049 2.601 5.911 1.00 0.00 H new ATOM 0 HB2 GLU 1 50 -15.778 5.211 5.480 1.00 0.00 H new ATOM 0 HB3 GLU 1 50 -17.132 4.362 4.761 1.00 0.00 H new ATOM 0 HG2 GLU 1 50 -16.246 3.371 7.425 1.00 0.00 H new ATOM 0 HG3 GLU 1 50 -16.946 4.978 7.400 1.00 0.00 H new ATOM 448 N VAL 1 51 -15.532 0.990 3.935 1.00 0.00 N ATOM 449 CA VAL 1 51 -16.117 -0.038 3.083 1.00 0.00 C ATOM 450 C VAL 1 51 -15.996 -1.417 3.732 1.00 0.00 C ATOM 451 O VAL 1 51 -15.680 -1.526 4.916 1.00 0.00 O ATOM 452 CB VAL 1 51 -15.455 -0.059 1.689 1.00 0.00 C ATOM 453 CG1 VAL 1 51 -15.367 1.349 1.123 1.00 0.00 C ATOM 454 CG2 VAL 1 51 -14.076 -0.700 1.748 1.00 0.00 C ATOM 0 H VAL 1 51 -14.658 0.716 4.384 1.00 0.00 H new ATOM 0 HA VAL 1 51 -17.172 0.206 2.960 1.00 0.00 H new ATOM 0 HB VAL 1 51 -16.077 -0.662 1.027 1.00 0.00 H new ATOM 0 HG11 VAL 1 51 -14.898 1.317 0.140 1.00 0.00 H new ATOM 0 HG12 VAL 1 51 -16.369 1.768 1.034 1.00 0.00 H new ATOM 0 HG13 VAL 1 51 -14.771 1.972 1.789 1.00 0.00 H new ATOM 0 HG21 VAL 1 51 -13.633 -0.702 0.752 1.00 0.00 H new ATOM 0 HG22 VAL 1 51 -13.440 -0.133 2.428 1.00 0.00 H new ATOM 0 HG23 VAL 1 51 -14.166 -1.725 2.107 1.00 0.00 H new ATOM 464 N THR 1 52 -16.244 -2.464 2.951 1.00 0.00 N ATOM 465 CA THR 1 52 -16.156 -3.833 3.452 1.00 0.00 C ATOM 466 C THR 1 52 -14.831 -4.472 3.037 1.00 0.00 C ATOM 467 O THR 1 52 -14.652 -4.840 1.876 1.00 0.00 O ATOM 468 CB THR 1 52 -17.326 -4.667 2.925 1.00 0.00 C ATOM 469 OG1 THR 1 52 -17.287 -5.978 3.461 1.00 0.00 O ATOM 470 CG2 THR 1 52 -17.345 -4.788 1.417 1.00 0.00 C ATOM 0 H THR 1 52 -16.508 -2.391 1.968 1.00 0.00 H new ATOM 0 HA THR 1 52 -16.204 -3.804 4.541 1.00 0.00 H new ATOM 0 HB THR 1 52 -18.224 -4.137 3.241 1.00 0.00 H new ATOM 0 HG1 THR 1 52 -18.043 -6.496 3.114 1.00 0.00 H new ATOM 0 HG21 THR 1 52 -18.200 -5.392 1.111 1.00 0.00 H new ATOM 0 HG22 THR 1 52 -17.424 -3.796 0.973 1.00 0.00 H new ATOM 0 HG23 THR 1 52 -16.425 -5.264 1.079 1.00 0.00 H new ATOM 478 N PRO 1 53 -13.874 -4.606 3.975 1.00 0.00 N ATOM 479 CA PRO 1 53 -12.564 -5.191 3.687 1.00 0.00 C ATOM 480 C PRO 1 53 -12.611 -6.710 3.561 1.00 0.00 C ATOM 481 O PRO 1 53 -12.927 -7.416 4.519 1.00 0.00 O ATOM 482 CB PRO 1 53 -11.702 -4.786 4.896 1.00 0.00 C ATOM 483 CG PRO 1 53 -12.551 -3.872 5.723 1.00 0.00 C ATOM 484 CD PRO 1 53 -13.976 -4.190 5.377 1.00 0.00 C ATOM 0 HA PRO 1 53 -12.176 -4.837 2.732 1.00 0.00 H new ATOM 0 HB2 PRO 1 53 -11.399 -5.662 5.470 1.00 0.00 H new ATOM 0 HB3 PRO 1 53 -10.789 -4.285 4.574 1.00 0.00 H new ATOM 0 HG2 PRO 1 53 -12.366 -4.026 6.786 1.00 0.00 H new ATOM 0 HG3 PRO 1 53 -12.322 -2.828 5.507 1.00 0.00 H new ATOM 0 HD2 PRO 1 53 -14.380 -4.982 6.007 1.00 0.00 H new ATOM 0 HD3 PRO 1 53 -14.626 -3.324 5.497 1.00 0.00 H new ATOM 492 N ASP 1 54 -12.282 -7.204 2.372 1.00 0.00 N ATOM 493 CA ASP 1 54 -12.269 -8.636 2.108 1.00 0.00 C ATOM 494 C ASP 1 54 -11.179 -8.984 1.102 1.00 0.00 C ATOM 495 O ASP 1 54 -10.435 -8.112 0.654 1.00 0.00 O ATOM 496 CB ASP 1 54 -13.633 -9.098 1.592 1.00 0.00 C ATOM 497 CG ASP 1 54 -14.487 -9.711 2.685 1.00 0.00 C ATOM 498 OD1 ASP 1 54 -13.929 -10.425 3.544 1.00 0.00 O ATOM 499 OD2 ASP 1 54 -15.714 -9.476 2.682 1.00 0.00 O ATOM 0 H ASP 1 54 -12.019 -6.628 1.572 1.00 0.00 H new ATOM 0 HA ASP 1 54 -12.057 -9.155 3.043 1.00 0.00 H new ATOM 0 HB2 ASP 1 54 -14.160 -8.249 1.156 1.00 0.00 H new ATOM 0 HB3 ASP 1 54 -13.489 -9.828 0.795 1.00 0.00 H new ATOM 504 N ARG 1 55 -11.089 -10.263 0.747 1.00 0.00 N ATOM 505 CA ARG 1 55 -10.086 -10.723 -0.209 1.00 0.00 C ATOM 506 C ARG 1 55 -10.057 -9.826 -1.444 1.00 0.00 C ATOM 507 O ARG 1 55 -9.020 -9.671 -2.088 1.00 0.00 O ATOM 508 CB ARG 1 55 -10.368 -12.169 -0.621 1.00 0.00 C ATOM 509 CG ARG 1 55 -11.779 -12.390 -1.141 1.00 0.00 C ATOM 510 CD ARG 1 55 -12.695 -12.931 -0.056 1.00 0.00 C ATOM 511 NE ARG 1 55 -13.627 -13.929 -0.574 1.00 0.00 N ATOM 512 CZ ARG 1 55 -14.729 -14.317 0.065 1.00 0.00 C ATOM 513 NH1 ARG 1 55 -15.040 -13.794 1.244 1.00 0.00 N ATOM 514 NH2 ARG 1 55 -15.522 -15.231 -0.478 1.00 0.00 N ATOM 0 H ARG 1 55 -11.698 -10.998 1.106 1.00 0.00 H new ATOM 0 HA ARG 1 55 -9.111 -10.674 0.276 1.00 0.00 H new ATOM 0 HB2 ARG 1 55 -9.656 -12.464 -1.391 1.00 0.00 H new ATOM 0 HB3 ARG 1 55 -10.199 -12.821 0.236 1.00 0.00 H new ATOM 0 HG2 ARG 1 55 -12.179 -11.450 -1.521 1.00 0.00 H new ATOM 0 HG3 ARG 1 55 -11.754 -13.087 -1.978 1.00 0.00 H new ATOM 0 HD2 ARG 1 55 -12.094 -13.374 0.738 1.00 0.00 H new ATOM 0 HD3 ARG 1 55 -13.255 -12.109 0.389 1.00 0.00 H new ATOM 0 HE ARG 1 55 -13.422 -14.354 -1.478 1.00 0.00 H new ATOM 0 HH11 ARG 1 55 -14.434 -13.091 1.666 1.00 0.00 H new ATOM 0 HH12 ARG 1 55 -15.885 -14.095 1.729 1.00 0.00 H new ATOM 0 HH21 ARG 1 55 -15.288 -15.636 -1.384 1.00 0.00 H new ATOM 0 HH22 ARG 1 55 -16.366 -15.529 0.011 1.00 0.00 H new ATOM 528 N ARG 1 56 -11.203 -9.232 -1.762 1.00 0.00 N ATOM 529 CA ARG 1 56 -11.309 -8.345 -2.914 1.00 0.00 C ATOM 530 C ARG 1 56 -10.693 -6.987 -2.605 1.00 0.00 C ATOM 531 O ARG 1 56 -10.005 -6.401 -3.441 1.00 0.00 O ATOM 532 CB ARG 1 56 -12.771 -8.174 -3.327 1.00 0.00 C ATOM 533 CG ARG 1 56 -13.667 -7.666 -2.207 1.00 0.00 C ATOM 534 CD ARG 1 56 -13.932 -6.174 -2.337 1.00 0.00 C ATOM 535 NE ARG 1 56 -15.261 -5.899 -2.879 1.00 0.00 N ATOM 536 CZ ARG 1 56 -15.876 -4.724 -2.772 1.00 0.00 C ATOM 537 NH1 ARG 1 56 -15.287 -3.713 -2.145 1.00 0.00 N ATOM 538 NH2 ARG 1 56 -17.084 -4.558 -3.294 1.00 0.00 N ATOM 0 H ARG 1 56 -12.070 -9.349 -1.238 1.00 0.00 H new ATOM 0 HA ARG 1 56 -10.761 -8.797 -3.741 1.00 0.00 H new ATOM 0 HB2 ARG 1 56 -12.824 -7.480 -4.166 1.00 0.00 H new ATOM 0 HB3 ARG 1 56 -13.154 -9.131 -3.681 1.00 0.00 H new ATOM 0 HG2 ARG 1 56 -14.613 -8.207 -2.223 1.00 0.00 H new ATOM 0 HG3 ARG 1 56 -13.199 -7.871 -1.244 1.00 0.00 H new ATOM 0 HD2 ARG 1 56 -13.834 -5.702 -1.359 1.00 0.00 H new ATOM 0 HD3 ARG 1 56 -13.177 -5.727 -2.984 1.00 0.00 H new ATOM 0 HE ARG 1 56 -15.745 -6.652 -3.368 1.00 0.00 H new ATOM 0 HH11 ARG 1 56 -14.358 -3.835 -1.742 1.00 0.00 H new ATOM 0 HH12 ARG 1 56 -15.764 -2.815 -2.066 1.00 0.00 H new ATOM 0 HH21 ARG 1 56 -17.541 -5.331 -3.777 1.00 0.00 H new ATOM 0 HH22 ARG 1 56 -17.556 -3.657 -3.212 1.00 0.00 H new ATOM 552 N PHE 1 57 -10.928 -6.503 -1.392 1.00 0.00 N ATOM 553 CA PHE 1 57 -10.377 -5.226 -0.962 1.00 0.00 C ATOM 554 C PHE 1 57 -8.863 -5.323 -0.963 1.00 0.00 C ATOM 555 O PHE 1 57 -8.162 -4.450 -1.476 1.00 0.00 O ATOM 556 CB PHE 1 57 -10.887 -4.882 0.437 1.00 0.00 C ATOM 557 CG PHE 1 57 -10.443 -3.541 0.947 1.00 0.00 C ATOM 558 CD1 PHE 1 57 -9.110 -3.301 1.239 1.00 0.00 C ATOM 559 CD2 PHE 1 57 -11.363 -2.524 1.146 1.00 0.00 C ATOM 560 CE1 PHE 1 57 -8.702 -2.071 1.715 1.00 0.00 C ATOM 561 CE2 PHE 1 57 -10.962 -1.291 1.624 1.00 0.00 C ATOM 562 CZ PHE 1 57 -9.628 -1.065 1.908 1.00 0.00 C ATOM 0 H PHE 1 57 -11.496 -6.976 -0.689 1.00 0.00 H new ATOM 0 HA PHE 1 57 -10.692 -4.437 -1.645 1.00 0.00 H new ATOM 0 HB2 PHE 1 57 -11.977 -4.912 0.431 1.00 0.00 H new ATOM 0 HB3 PHE 1 57 -10.551 -5.651 1.132 1.00 0.00 H new ATOM 0 HD1 PHE 1 57 -8.382 -4.085 1.093 1.00 0.00 H new ATOM 0 HD2 PHE 1 57 -12.406 -2.697 0.925 1.00 0.00 H new ATOM 0 HE1 PHE 1 57 -7.660 -1.896 1.936 1.00 0.00 H new ATOM 0 HE2 PHE 1 57 -11.688 -0.506 1.775 1.00 0.00 H new ATOM 0 HZ PHE 1 57 -9.310 -0.102 2.281 1.00 0.00 H new ATOM 572 N ARG 1 58 -8.373 -6.420 -0.397 1.00 0.00 N ATOM 573 CA ARG 1 58 -6.951 -6.691 -0.332 1.00 0.00 C ATOM 574 C ARG 1 58 -6.318 -6.607 -1.719 1.00 0.00 C ATOM 575 O ARG 1 58 -5.321 -5.913 -1.919 1.00 0.00 O ATOM 576 CB ARG 1 58 -6.750 -8.086 0.251 1.00 0.00 C ATOM 577 CG ARG 1 58 -5.955 -8.102 1.538 1.00 0.00 C ATOM 578 CD ARG 1 58 -6.809 -7.687 2.723 1.00 0.00 C ATOM 579 NE ARG 1 58 -7.602 -8.799 3.243 1.00 0.00 N ATOM 580 CZ ARG 1 58 -7.112 -9.756 4.027 1.00 0.00 C ATOM 581 NH1 ARG 1 58 -5.834 -9.741 4.385 1.00 0.00 N ATOM 582 NH2 ARG 1 58 -7.902 -10.731 4.456 1.00 0.00 N ATOM 0 H ARG 1 58 -8.954 -7.143 0.028 1.00 0.00 H new ATOM 0 HA ARG 1 58 -6.469 -5.946 0.301 1.00 0.00 H new ATOM 0 HB2 ARG 1 58 -7.725 -8.538 0.432 1.00 0.00 H new ATOM 0 HB3 ARG 1 58 -6.242 -8.708 -0.486 1.00 0.00 H new ATOM 0 HG2 ARG 1 58 -5.556 -9.102 1.708 1.00 0.00 H new ATOM 0 HG3 ARG 1 58 -5.102 -7.429 1.449 1.00 0.00 H new ATOM 0 HD2 ARG 1 58 -6.167 -7.298 3.514 1.00 0.00 H new ATOM 0 HD3 ARG 1 58 -7.474 -6.876 2.425 1.00 0.00 H new ATOM 0 HE ARG 1 58 -8.589 -8.844 2.990 1.00 0.00 H new ATOM 0 HH11 ARG 1 58 -5.222 -8.993 4.059 1.00 0.00 H new ATOM 0 HH12 ARG 1 58 -5.464 -10.477 4.986 1.00 0.00 H new ATOM 0 HH21 ARG 1 58 -8.885 -10.747 4.185 1.00 0.00 H new ATOM 0 HH22 ARG 1 58 -7.526 -11.465 5.057 1.00 0.00 H new ATOM 596 N ALA 1 59 -6.909 -7.322 -2.674 1.00 0.00 N ATOM 597 CA ALA 1 59 -6.412 -7.333 -4.044 1.00 0.00 C ATOM 598 C ALA 1 59 -6.349 -5.922 -4.617 1.00 0.00 C ATOM 599 O ALA 1 59 -5.359 -5.537 -5.239 1.00 0.00 O ATOM 600 CB ALA 1 59 -7.288 -8.220 -4.916 1.00 0.00 C ATOM 0 H ALA 1 59 -7.734 -7.902 -2.522 1.00 0.00 H new ATOM 0 HA ALA 1 59 -5.400 -7.738 -4.034 1.00 0.00 H new ATOM 0 HB1 ALA 1 59 -6.905 -8.219 -5.937 1.00 0.00 H new ATOM 0 HB2 ALA 1 59 -7.278 -9.238 -4.526 1.00 0.00 H new ATOM 0 HB3 ALA 1 59 -8.310 -7.840 -4.911 1.00 0.00 H new ATOM 606 N ARG 1 60 -7.412 -5.152 -4.399 1.00 0.00 N ATOM 607 CA ARG 1 60 -7.475 -3.779 -4.888 1.00 0.00 C ATOM 608 C ARG 1 60 -6.242 -2.998 -4.449 1.00 0.00 C ATOM 609 O ARG 1 60 -5.570 -2.369 -5.266 1.00 0.00 O ATOM 610 CB ARG 1 60 -8.744 -3.090 -4.380 1.00 0.00 C ATOM 611 CG ARG 1 60 -9.841 -2.987 -5.429 1.00 0.00 C ATOM 612 CD ARG 1 60 -10.971 -3.969 -5.158 1.00 0.00 C ATOM 613 NE ARG 1 60 -10.925 -5.119 -6.058 1.00 0.00 N ATOM 614 CZ ARG 1 60 -11.959 -5.927 -6.282 1.00 0.00 C ATOM 615 NH1 ARG 1 60 -13.120 -5.714 -5.676 1.00 0.00 N ATOM 616 NH2 ARG 1 60 -11.832 -6.950 -7.116 1.00 0.00 N ATOM 0 H ARG 1 60 -8.240 -5.456 -3.887 1.00 0.00 H new ATOM 0 HA ARG 1 60 -7.501 -3.803 -5.977 1.00 0.00 H new ATOM 0 HB2 ARG 1 60 -9.126 -3.639 -3.519 1.00 0.00 H new ATOM 0 HB3 ARG 1 60 -8.490 -2.089 -4.032 1.00 0.00 H new ATOM 0 HG2 ARG 1 60 -10.237 -1.971 -5.444 1.00 0.00 H new ATOM 0 HG3 ARG 1 60 -9.420 -3.179 -6.416 1.00 0.00 H new ATOM 0 HD2 ARG 1 60 -10.912 -4.314 -4.126 1.00 0.00 H new ATOM 0 HD3 ARG 1 60 -11.928 -3.460 -5.269 1.00 0.00 H new ATOM 0 HE ARG 1 60 -10.049 -5.314 -6.543 1.00 0.00 H new ATOM 0 HH11 ARG 1 60 -13.224 -4.928 -5.035 1.00 0.00 H new ATOM 0 HH12 ARG 1 60 -13.909 -6.336 -5.852 1.00 0.00 H new ATOM 0 HH21 ARG 1 60 -10.942 -7.118 -7.586 1.00 0.00 H new ATOM 0 HH22 ARG 1 60 -12.624 -7.569 -7.288 1.00 0.00 H new ATOM 630 N VAL 1 61 -5.942 -3.054 -3.155 1.00 0.00 N ATOM 631 CA VAL 1 61 -4.779 -2.362 -2.617 1.00 0.00 C ATOM 632 C VAL 1 61 -3.501 -2.976 -3.169 1.00 0.00 C ATOM 633 O VAL 1 61 -2.565 -2.268 -3.536 1.00 0.00 O ATOM 634 CB VAL 1 61 -4.737 -2.416 -1.078 1.00 0.00 C ATOM 635 CG1 VAL 1 61 -3.755 -1.391 -0.533 1.00 0.00 C ATOM 636 CG2 VAL 1 61 -6.123 -2.203 -0.494 1.00 0.00 C ATOM 0 H VAL 1 61 -6.486 -3.569 -2.463 1.00 0.00 H new ATOM 0 HA VAL 1 61 -4.857 -1.318 -2.922 1.00 0.00 H new ATOM 0 HB VAL 1 61 -4.394 -3.407 -0.779 1.00 0.00 H new ATOM 0 HG11 VAL 1 61 -3.740 -1.445 0.556 1.00 0.00 H new ATOM 0 HG12 VAL 1 61 -2.758 -1.600 -0.921 1.00 0.00 H new ATOM 0 HG13 VAL 1 61 -4.062 -0.392 -0.843 1.00 0.00 H new ATOM 0 HG21 VAL 1 61 -6.070 -2.245 0.594 1.00 0.00 H new ATOM 0 HG22 VAL 1 61 -6.501 -1.228 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL 1 61 -6.794 -2.983 -0.855 1.00 0.00 H new ATOM 646 N ASP 1 62 -3.474 -4.302 -3.237 1.00 0.00 N ATOM 647 CA ASP 1 62 -2.313 -5.011 -3.756 1.00 0.00 C ATOM 648 C ASP 1 62 -2.020 -4.573 -5.185 1.00 0.00 C ATOM 649 O ASP 1 62 -0.864 -4.407 -5.574 1.00 0.00 O ATOM 650 CB ASP 1 62 -2.547 -6.523 -3.716 1.00 0.00 C ATOM 651 CG ASP 1 62 -1.259 -7.312 -3.852 1.00 0.00 C ATOM 652 OD1 ASP 1 62 -0.292 -6.775 -4.431 1.00 0.00 O ATOM 653 OD2 ASP 1 62 -1.219 -8.468 -3.381 1.00 0.00 O ATOM 0 H ASP 1 62 -4.241 -4.905 -2.940 1.00 0.00 H new ATOM 0 HA ASP 1 62 -1.456 -4.770 -3.128 1.00 0.00 H new ATOM 0 HB2 ASP 1 62 -3.034 -6.788 -2.778 1.00 0.00 H new ATOM 0 HB3 ASP 1 62 -3.228 -6.804 -4.519 1.00 0.00 H new ATOM 658 N ASP 1 63 -3.083 -4.384 -5.959 1.00 0.00 N ATOM 659 CA ASP 1 63 -2.954 -3.960 -7.345 1.00 0.00 C ATOM 660 C ASP 1 63 -2.543 -2.495 -7.422 1.00 0.00 C ATOM 661 O ASP 1 63 -1.604 -2.139 -8.134 1.00 0.00 O ATOM 662 CB ASP 1 63 -4.277 -4.172 -8.085 1.00 0.00 C ATOM 663 CG ASP 1 63 -4.098 -4.214 -9.590 1.00 0.00 C ATOM 664 OD1 ASP 1 63 -3.800 -5.304 -10.122 1.00 0.00 O ATOM 665 OD2 ASP 1 63 -4.258 -3.157 -10.237 1.00 0.00 O ATOM 0 H ASP 1 63 -4.045 -4.519 -5.648 1.00 0.00 H new ATOM 0 HA ASP 1 63 -2.180 -4.563 -7.819 1.00 0.00 H new ATOM 0 HB2 ASP 1 63 -4.732 -5.104 -7.750 1.00 0.00 H new ATOM 0 HB3 ASP 1 63 -4.967 -3.369 -7.826 1.00 0.00 H new ATOM 670 N ALA 1 64 -3.249 -1.648 -6.678 1.00 0.00 N ATOM 671 CA ALA 1 64 -2.952 -0.222 -6.659 1.00 0.00 C ATOM 672 C ALA 1 64 -1.511 0.021 -6.226 1.00 0.00 C ATOM 673 O ALA 1 64 -0.764 0.729 -6.901 1.00 0.00 O ATOM 674 CB ALA 1 64 -3.917 0.511 -5.739 1.00 0.00 C ATOM 0 H ALA 1 64 -4.029 -1.925 -6.082 1.00 0.00 H new ATOM 0 HA ALA 1 64 -3.076 0.168 -7.669 1.00 0.00 H new ATOM 0 HB1 ALA 1 64 -3.680 1.575 -5.737 1.00 0.00 H new ATOM 0 HB2 ALA 1 64 -4.938 0.367 -6.093 1.00 0.00 H new ATOM 0 HB3 ALA 1 64 -3.825 0.117 -4.727 1.00 0.00 H new ATOM 680 N ILE 1 65 -1.114 -0.585 -5.109 1.00 0.00 N ATOM 681 CA ILE 1 65 0.251 -0.439 -4.619 1.00 0.00 C ATOM 682 C ILE 1 65 1.225 -0.862 -5.708 1.00 0.00 C ATOM 683 O ILE 1 65 2.119 -0.113 -6.081 1.00 0.00 O ATOM 684 CB ILE 1 65 0.501 -1.287 -3.346 1.00 0.00 C ATOM 685 CG1 ILE 1 65 -0.182 -0.667 -2.114 1.00 0.00 C ATOM 686 CG2 ILE 1 65 1.999 -1.442 -3.084 1.00 0.00 C ATOM 687 CD1 ILE 1 65 -1.336 0.266 -2.427 1.00 0.00 C ATOM 0 H ILE 1 65 -1.713 -1.176 -4.532 1.00 0.00 H new ATOM 0 HA ILE 1 65 0.404 0.608 -4.358 1.00 0.00 H new ATOM 0 HB ILE 1 65 0.066 -2.271 -3.521 1.00 0.00 H new ATOM 0 HG12 ILE 1 65 -0.547 -1.471 -1.475 1.00 0.00 H new ATOM 0 HG13 ILE 1 65 0.565 -0.118 -1.540 1.00 0.00 H new ATOM 0 HG21 ILE 1 65 2.151 -2.041 -2.186 1.00 0.00 H new ATOM 0 HG22 ILE 1 65 2.468 -1.938 -3.934 1.00 0.00 H new ATOM 0 HG23 ILE 1 65 2.448 -0.458 -2.945 1.00 0.00 H new ATOM 0 HD11 ILE 1 65 -1.753 0.653 -1.497 1.00 0.00 H new ATOM 0 HD12 ILE 1 65 -0.978 1.095 -3.037 1.00 0.00 H new ATOM 0 HD13 ILE 1 65 -2.107 -0.279 -2.972 1.00 0.00 H new ATOM 699 N ARG 1 66 1.025 -2.070 -6.217 1.00 0.00 N ATOM 700 CA ARG 1 66 1.861 -2.611 -7.273 1.00 0.00 C ATOM 701 C ARG 1 66 1.855 -1.689 -8.487 1.00 0.00 C ATOM 702 O ARG 1 66 2.854 -1.574 -9.192 1.00 0.00 O ATOM 703 CB ARG 1 66 1.342 -3.994 -7.665 1.00 0.00 C ATOM 704 CG ARG 1 66 2.118 -4.644 -8.791 1.00 0.00 C ATOM 705 CD ARG 1 66 1.912 -6.149 -8.806 1.00 0.00 C ATOM 706 NE ARG 1 66 2.133 -6.721 -10.132 1.00 0.00 N ATOM 707 CZ ARG 1 66 1.727 -7.936 -10.493 1.00 0.00 C ATOM 708 NH1 ARG 1 66 1.081 -8.710 -9.631 1.00 0.00 N ATOM 709 NH2 ARG 1 66 1.968 -8.377 -11.720 1.00 0.00 N ATOM 0 H ARG 1 66 0.282 -2.698 -5.910 1.00 0.00 H new ATOM 0 HA ARG 1 66 2.886 -2.692 -6.910 1.00 0.00 H new ATOM 0 HB2 ARG 1 66 1.375 -4.645 -6.791 1.00 0.00 H new ATOM 0 HB3 ARG 1 66 0.296 -3.909 -7.960 1.00 0.00 H new ATOM 0 HG2 ARG 1 66 1.801 -4.222 -9.745 1.00 0.00 H new ATOM 0 HG3 ARG 1 66 3.179 -4.421 -8.680 1.00 0.00 H new ATOM 0 HD2 ARG 1 66 2.592 -6.615 -8.093 1.00 0.00 H new ATOM 0 HD3 ARG 1 66 0.899 -6.379 -8.477 1.00 0.00 H new ATOM 0 HE ARG 1 66 2.628 -6.156 -10.822 1.00 0.00 H new ATOM 0 HH11 ARG 1 66 0.893 -8.375 -8.686 1.00 0.00 H new ATOM 0 HH12 ARG 1 66 0.772 -9.640 -9.913 1.00 0.00 H new ATOM 0 HH21 ARG 1 66 2.464 -7.785 -12.386 1.00 0.00 H new ATOM 0 HH22 ARG 1 66 1.657 -9.308 -11.998 1.00 0.00 H new ATOM 723 N GLU 1 67 0.726 -1.026 -8.718 1.00 0.00 N ATOM 724 CA GLU 1 67 0.595 -0.107 -9.836 1.00 0.00 C ATOM 725 C GLU 1 67 1.561 1.056 -9.649 1.00 0.00 C ATOM 726 O GLU 1 67 2.459 1.270 -10.463 1.00 0.00 O ATOM 727 CB GLU 1 67 -0.870 0.363 -9.940 1.00 0.00 C ATOM 728 CG GLU 1 67 -1.100 1.846 -9.685 1.00 0.00 C ATOM 729 CD GLU 1 67 -2.367 2.360 -10.340 1.00 0.00 C ATOM 730 OE1 GLU 1 67 -2.357 2.568 -11.572 1.00 0.00 O ATOM 731 OE2 GLU 1 67 -3.370 2.556 -9.621 1.00 0.00 O ATOM 0 H GLU 1 67 -0.112 -1.111 -8.142 1.00 0.00 H new ATOM 0 HA GLU 1 67 0.851 -0.602 -10.773 1.00 0.00 H new ATOM 0 HB2 GLU 1 67 -1.241 0.121 -10.936 1.00 0.00 H new ATOM 0 HB3 GLU 1 67 -1.468 -0.207 -9.229 1.00 0.00 H new ATOM 0 HG2 GLU 1 67 -1.153 2.022 -8.611 1.00 0.00 H new ATOM 0 HG3 GLU 1 67 -0.247 2.412 -10.059 1.00 0.00 H new ATOM 738 N GLY 1 68 1.382 1.787 -8.557 1.00 0.00 N ATOM 739 CA GLY 1 68 2.261 2.900 -8.265 1.00 0.00 C ATOM 740 C GLY 1 68 3.671 2.421 -8.003 1.00 0.00 C ATOM 741 O GLY 1 68 4.639 3.031 -8.450 1.00 0.00 O ATOM 0 H GLY 1 68 0.645 1.629 -7.870 1.00 0.00 H new ATOM 0 HA2 GLY 1 68 2.260 3.599 -9.102 1.00 0.00 H new ATOM 0 HA3 GLY 1 68 1.890 3.443 -7.396 1.00 0.00 H new ATOM 745 N LEU 1 69 3.775 1.305 -7.289 1.00 0.00 N ATOM 746 CA LEU 1 69 5.065 0.707 -6.972 1.00 0.00 C ATOM 747 C LEU 1 69 5.782 0.318 -8.251 1.00 0.00 C ATOM 748 O LEU 1 69 6.995 0.485 -8.378 1.00 0.00 O ATOM 749 CB LEU 1 69 4.870 -0.530 -6.075 1.00 0.00 C ATOM 750 CG LEU 1 69 4.626 -0.233 -4.589 1.00 0.00 C ATOM 751 CD1 LEU 1 69 4.917 -1.464 -3.748 1.00 0.00 C ATOM 752 CD2 LEU 1 69 5.482 0.938 -4.122 1.00 0.00 C ATOM 0 H LEU 1 69 2.974 0.794 -6.917 1.00 0.00 H new ATOM 0 HA LEU 1 69 5.671 1.436 -6.434 1.00 0.00 H new ATOM 0 HB2 LEU 1 69 4.026 -1.105 -6.457 1.00 0.00 H new ATOM 0 HB3 LEU 1 69 5.753 -1.163 -6.161 1.00 0.00 H new ATOM 0 HG LEU 1 69 3.577 0.038 -4.465 1.00 0.00 H new ATOM 0 HD11 LEU 1 69 4.739 -1.237 -2.697 1.00 0.00 H new ATOM 0 HD12 LEU 1 69 4.264 -2.280 -4.059 1.00 0.00 H new ATOM 0 HD13 LEU 1 69 5.957 -1.760 -3.884 1.00 0.00 H new ATOM 0 HD21 LEU 1 69 5.292 1.129 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU 1 69 6.536 0.697 -4.263 1.00 0.00 H new ATOM 0 HD23 LEU 1 69 5.232 1.826 -4.703 1.00 0.00 H new ATOM 764 N LYS 1 70 5.013 -0.191 -9.200 1.00 0.00 N ATOM 765 CA LYS 1 70 5.552 -0.606 -10.481 1.00 0.00 C ATOM 766 C LYS 1 70 6.029 0.597 -11.290 1.00 0.00 C ATOM 767 O LYS 1 70 6.829 0.458 -12.215 1.00 0.00 O ATOM 768 CB LYS 1 70 4.493 -1.380 -11.267 1.00 0.00 C ATOM 769 CG LYS 1 70 4.903 -1.710 -12.689 1.00 0.00 C ATOM 770 CD LYS 1 70 4.142 -2.913 -13.218 1.00 0.00 C ATOM 771 CE LYS 1 70 3.787 -2.740 -14.682 1.00 0.00 C ATOM 772 NZ LYS 1 70 3.070 -3.926 -15.226 1.00 0.00 N ATOM 0 H LYS 1 70 4.007 -0.327 -9.104 1.00 0.00 H new ATOM 0 HA LYS 1 70 6.409 -1.254 -10.298 1.00 0.00 H new ATOM 0 HB2 LYS 1 70 4.268 -2.307 -10.740 1.00 0.00 H new ATOM 0 HB3 LYS 1 70 3.573 -0.796 -11.291 1.00 0.00 H new ATOM 0 HG2 LYS 1 70 4.719 -0.849 -13.332 1.00 0.00 H new ATOM 0 HG3 LYS 1 70 5.974 -1.910 -12.724 1.00 0.00 H new ATOM 0 HD2 LYS 1 70 4.745 -3.812 -13.092 1.00 0.00 H new ATOM 0 HD3 LYS 1 70 3.232 -3.055 -12.635 1.00 0.00 H new ATOM 0 HE2 LYS 1 70 3.164 -1.853 -14.802 1.00 0.00 H new ATOM 0 HE3 LYS 1 70 4.697 -2.571 -15.258 1.00 0.00 H new ATOM 0 HZ1 LYS 1 70 2.846 -3.766 -16.229 1.00 0.00 H new ATOM 0 HZ2 LYS 1 70 3.674 -4.768 -15.136 1.00 0.00 H new ATOM 0 HZ3 LYS 1 70 2.189 -4.073 -14.694 1.00 0.00 H new ATOM 786 N ALA 1 71 5.520 1.773 -10.944 1.00 0.00 N ATOM 787 CA ALA 1 71 5.879 2.996 -11.647 1.00 0.00 C ATOM 788 C ALA 1 71 7.043 3.731 -10.979 1.00 0.00 C ATOM 789 O ALA 1 71 7.520 4.740 -11.498 1.00 0.00 O ATOM 790 CB ALA 1 71 4.664 3.901 -11.748 1.00 0.00 C ATOM 0 H ALA 1 71 4.857 1.905 -10.180 1.00 0.00 H new ATOM 0 HA ALA 1 71 6.214 2.719 -12.647 1.00 0.00 H new ATOM 0 HB1 ALA 1 71 4.935 4.816 -12.275 1.00 0.00 H new ATOM 0 HB2 ALA 1 71 3.873 3.388 -12.295 1.00 0.00 H new ATOM 0 HB3 ALA 1 71 4.311 4.149 -10.747 1.00 0.00 H new ATOM 796 N LEU 1 72 7.499 3.232 -9.832 1.00 0.00 N ATOM 797 CA LEU 1 72 8.608 3.867 -9.120 1.00 0.00 C ATOM 798 C LEU 1 72 9.852 2.989 -9.124 1.00 0.00 C ATOM 799 O LEU 1 72 10.793 3.234 -8.368 1.00 0.00 O ATOM 800 CB LEU 1 72 8.211 4.185 -7.681 1.00 0.00 C ATOM 801 CG LEU 1 72 6.773 4.661 -7.505 1.00 0.00 C ATOM 802 CD1 LEU 1 72 6.131 3.975 -6.313 1.00 0.00 C ATOM 803 CD2 LEU 1 72 6.724 6.174 -7.350 1.00 0.00 C ATOM 0 H LEU 1 72 7.123 2.399 -9.379 1.00 0.00 H new ATOM 0 HA LEU 1 72 8.840 4.794 -9.644 1.00 0.00 H new ATOM 0 HB2 LEU 1 72 8.361 3.293 -7.072 1.00 0.00 H new ATOM 0 HB3 LEU 1 72 8.883 4.952 -7.295 1.00 0.00 H new ATOM 0 HG LEU 1 72 6.208 4.395 -8.398 1.00 0.00 H new ATOM 0 HD11 LEU 1 72 5.105 4.325 -6.201 1.00 0.00 H new ATOM 0 HD12 LEU 1 72 6.131 2.896 -6.470 1.00 0.00 H new ATOM 0 HD13 LEU 1 72 6.695 4.210 -5.411 1.00 0.00 H new ATOM 0 HD21 LEU 1 72 5.689 6.494 -7.226 1.00 0.00 H new ATOM 0 HD22 LEU 1 72 7.303 6.469 -6.475 1.00 0.00 H new ATOM 0 HD23 LEU 1 72 7.145 6.645 -8.239 1.00 0.00 H new ATOM 815 N GLY 1 73 9.864 1.976 -9.982 1.00 0.00 N ATOM 816 CA GLY 1 73 11.017 1.100 -10.058 1.00 0.00 C ATOM 817 C GLY 1 73 10.692 -0.368 -9.868 1.00 0.00 C ATOM 818 O GLY 1 73 11.533 -1.226 -10.135 1.00 0.00 O ATOM 0 H GLY 1 73 9.103 1.747 -10.621 1.00 0.00 H new ATOM 0 HA2 GLY 1 73 11.497 1.232 -11.028 1.00 0.00 H new ATOM 0 HA3 GLY 1 73 11.740 1.402 -9.300 1.00 0.00 H new ATOM 822 N TYR 1 74 9.485 -0.673 -9.404 1.00 0.00 N ATOM 823 CA TYR 1 74 9.098 -2.059 -9.185 1.00 0.00 C ATOM 824 C TYR 1 74 8.322 -2.611 -10.377 1.00 0.00 C ATOM 825 O TYR 1 74 7.964 -1.872 -11.294 1.00 0.00 O ATOM 826 CB TYR 1 74 8.263 -2.177 -7.911 1.00 0.00 C ATOM 827 CG TYR 1 74 9.006 -1.806 -6.636 1.00 0.00 C ATOM 828 CD1 TYR 1 74 10.311 -1.318 -6.670 1.00 0.00 C ATOM 829 CD2 TYR 1 74 8.396 -1.941 -5.395 1.00 0.00 C ATOM 830 CE1 TYR 1 74 10.978 -0.980 -5.509 1.00 0.00 C ATOM 831 CE2 TYR 1 74 9.060 -1.606 -4.230 1.00 0.00 C ATOM 832 CZ TYR 1 74 10.350 -1.127 -4.293 1.00 0.00 C ATOM 833 OH TYR 1 74 11.012 -0.791 -3.134 1.00 0.00 O ATOM 0 H TYR 1 74 8.766 0.013 -9.175 1.00 0.00 H new ATOM 0 HA TYR 1 74 10.007 -2.650 -9.072 1.00 0.00 H new ATOM 0 HB2 TYR 1 74 7.386 -1.537 -8.005 1.00 0.00 H new ATOM 0 HB3 TYR 1 74 7.902 -3.201 -7.822 1.00 0.00 H new ATOM 0 HD1 TYR 1 74 10.809 -1.202 -7.621 1.00 0.00 H new ATOM 0 HD2 TYR 1 74 7.384 -2.315 -5.340 1.00 0.00 H new ATOM 0 HE1 TYR 1 74 11.989 -0.602 -5.555 1.00 0.00 H new ATOM 0 HE2 TYR 1 74 8.570 -1.719 -3.274 1.00 0.00 H new ATOM 0 HH TYR 1 74 10.427 -0.953 -2.364 1.00 0.00 H new ATOM 843 N TYR 1 75 8.069 -3.916 -10.361 1.00 0.00 N ATOM 844 CA TYR 1 75 7.330 -4.566 -11.438 1.00 0.00 C ATOM 845 C TYR 1 75 6.107 -5.294 -10.891 1.00 0.00 C ATOM 846 O TYR 1 75 4.972 -4.944 -11.214 1.00 0.00 O ATOM 847 CB TYR 1 75 8.232 -5.542 -12.189 1.00 0.00 C ATOM 848 CG TYR 1 75 9.012 -4.891 -13.306 1.00 0.00 C ATOM 849 CD1 TYR 1 75 8.371 -4.428 -14.447 1.00 0.00 C ATOM 850 CD2 TYR 1 75 10.388 -4.739 -13.216 1.00 0.00 C ATOM 851 CE1 TYR 1 75 9.080 -3.830 -15.470 1.00 0.00 C ATOM 852 CE2 TYR 1 75 11.107 -4.141 -14.235 1.00 0.00 C ATOM 853 CZ TYR 1 75 10.448 -3.689 -15.360 1.00 0.00 C ATOM 854 OH TYR 1 75 11.159 -3.094 -16.377 1.00 0.00 O ATOM 0 H TYR 1 75 8.365 -4.544 -9.614 1.00 0.00 H new ATOM 0 HA TYR 1 75 6.991 -3.796 -12.132 1.00 0.00 H new ATOM 0 HB2 TYR 1 75 8.929 -5.998 -11.485 1.00 0.00 H new ATOM 0 HB3 TYR 1 75 7.623 -6.347 -12.601 1.00 0.00 H new ATOM 0 HD1 TYR 1 75 7.300 -4.537 -14.536 1.00 0.00 H new ATOM 0 HD2 TYR 1 75 10.906 -5.093 -12.337 1.00 0.00 H new ATOM 0 HE1 TYR 1 75 8.567 -3.475 -16.351 1.00 0.00 H new ATOM 0 HE2 TYR 1 75 12.178 -4.028 -14.151 1.00 0.00 H new ATOM 0 HH TYR 1 75 12.110 -3.072 -16.142 1.00 0.00 H new ATOM 864 N GLN 1 76 6.339 -6.301 -10.054 1.00 0.00 N ATOM 865 CA GLN 1 76 5.241 -7.060 -9.464 1.00 0.00 C ATOM 866 C GLN 1 76 5.514 -7.385 -7.994 1.00 0.00 C ATOM 867 O GLN 1 76 5.464 -8.545 -7.586 1.00 0.00 O ATOM 868 CB GLN 1 76 5.010 -8.352 -10.250 1.00 0.00 C ATOM 869 CG GLN 1 76 5.006 -8.156 -11.758 1.00 0.00 C ATOM 870 CD GLN 1 76 4.518 -9.382 -12.504 1.00 0.00 C ATOM 871 OE1 GLN 1 76 4.713 -10.512 -12.059 1.00 0.00 O ATOM 872 NE2 GLN 1 76 3.878 -9.163 -13.647 1.00 0.00 N ATOM 0 H GLN 1 76 7.269 -6.609 -9.771 1.00 0.00 H new ATOM 0 HA GLN 1 76 4.344 -6.443 -9.513 1.00 0.00 H new ATOM 0 HB2 GLN 1 76 5.787 -9.071 -9.988 1.00 0.00 H new ATOM 0 HB3 GLN 1 76 4.058 -8.787 -9.946 1.00 0.00 H new ATOM 0 HG2 GLN 1 76 4.371 -7.306 -12.008 1.00 0.00 H new ATOM 0 HG3 GLN 1 76 6.014 -7.910 -12.091 1.00 0.00 H new ATOM 0 HE21 GLN 1 76 3.738 -8.209 -13.979 1.00 0.00 H new ATOM 0 HE22 GLN 1 76 3.526 -9.949 -14.193 1.00 0.00 H new ATOM 881 N PRO 1 77 5.803 -6.357 -7.175 1.00 0.00 N ATOM 882 CA PRO 1 77 6.077 -6.536 -5.747 1.00 0.00 C ATOM 883 C PRO 1 77 5.035 -7.386 -5.040 1.00 0.00 C ATOM 884 O PRO 1 77 3.834 -7.212 -5.249 1.00 0.00 O ATOM 885 CB PRO 1 77 6.018 -5.113 -5.193 1.00 0.00 C ATOM 886 CG PRO 1 77 6.380 -4.243 -6.336 1.00 0.00 C ATOM 887 CD PRO 1 77 5.892 -4.940 -7.578 1.00 0.00 C ATOM 0 HA PRO 1 77 7.026 -7.050 -5.594 1.00 0.00 H new ATOM 0 HB2 PRO 1 77 5.023 -4.877 -4.816 1.00 0.00 H new ATOM 0 HB3 PRO 1 77 6.712 -4.983 -4.363 1.00 0.00 H new ATOM 0 HG2 PRO 1 77 5.919 -3.260 -6.236 1.00 0.00 H new ATOM 0 HG3 PRO 1 77 7.458 -4.086 -6.378 1.00 0.00 H new ATOM 0 HD2 PRO 1 77 4.925 -4.554 -7.899 1.00 0.00 H new ATOM 0 HD3 PRO 1 77 6.582 -4.804 -8.411 1.00 0.00 H new ATOM 895 N THR 1 78 5.493 -8.279 -4.170 1.00 0.00 N ATOM 896 CA THR 1 78 4.577 -9.110 -3.406 1.00 0.00 C ATOM 897 C THR 1 78 4.024 -8.283 -2.256 1.00 0.00 C ATOM 898 O THR 1 78 4.718 -8.031 -1.271 1.00 0.00 O ATOM 899 CB THR 1 78 5.290 -10.354 -2.874 1.00 0.00 C ATOM 900 OG1 THR 1 78 6.173 -10.882 -3.848 1.00 0.00 O ATOM 901 CG2 THR 1 78 4.341 -11.460 -2.468 1.00 0.00 C ATOM 0 H THR 1 78 6.481 -8.443 -3.979 1.00 0.00 H new ATOM 0 HA THR 1 78 3.763 -9.446 -4.049 1.00 0.00 H new ATOM 0 HB THR 1 78 5.832 -10.019 -1.990 1.00 0.00 H new ATOM 0 HG1 THR 1 78 7.015 -10.380 -3.833 1.00 0.00 H new ATOM 0 HG21 THR 1 78 4.912 -12.312 -2.100 1.00 0.00 H new ATOM 0 HG22 THR 1 78 3.678 -11.100 -1.681 1.00 0.00 H new ATOM 0 HG23 THR 1 78 3.748 -11.765 -3.330 1.00 0.00 H new ATOM 909 N ILE 1 79 2.785 -7.830 -2.399 1.00 0.00 N ATOM 910 CA ILE 1 79 2.166 -6.995 -1.382 1.00 0.00 C ATOM 911 C ILE 1 79 1.031 -7.715 -0.660 1.00 0.00 C ATOM 912 O ILE 1 79 0.071 -8.171 -1.280 1.00 0.00 O ATOM 913 CB ILE 1 79 1.640 -5.680 -1.998 1.00 0.00 C ATOM 914 CG1 ILE 1 79 2.782 -4.936 -2.700 1.00 0.00 C ATOM 915 CG2 ILE 1 79 1.008 -4.801 -0.927 1.00 0.00 C ATOM 916 CD1 ILE 1 79 2.419 -4.398 -4.069 1.00 0.00 C ATOM 0 H ILE 1 79 2.193 -8.026 -3.206 1.00 0.00 H new ATOM 0 HA ILE 1 79 2.939 -6.767 -0.648 1.00 0.00 H new ATOM 0 HB ILE 1 79 0.874 -5.921 -2.735 1.00 0.00 H new ATOM 0 HG12 ILE 1 79 3.104 -4.107 -2.069 1.00 0.00 H new ATOM 0 HG13 ILE 1 79 3.633 -5.610 -2.800 1.00 0.00 H new ATOM 0 HG21 ILE 1 79 0.644 -3.879 -1.381 1.00 0.00 H new ATOM 0 HG22 ILE 1 79 0.176 -5.332 -0.465 1.00 0.00 H new ATOM 0 HG23 ILE 1 79 1.752 -4.562 -0.167 1.00 0.00 H new ATOM 0 HD11 ILE 1 79 3.280 -3.886 -4.499 1.00 0.00 H new ATOM 0 HD12 ILE 1 79 2.127 -5.223 -4.718 1.00 0.00 H new ATOM 0 HD13 ILE 1 79 1.589 -3.698 -3.976 1.00 0.00 H new ATOM 928 N GLU 1 80 1.153 -7.796 0.661 1.00 0.00 N ATOM 929 CA GLU 1 80 0.145 -8.440 1.493 1.00 0.00 C ATOM 930 C GLU 1 80 -0.490 -7.418 2.430 1.00 0.00 C ATOM 931 O GLU 1 80 -0.096 -6.251 2.442 1.00 0.00 O ATOM 932 CB GLU 1 80 0.768 -9.581 2.300 1.00 0.00 C ATOM 933 CG GLU 1 80 -0.040 -10.867 2.256 1.00 0.00 C ATOM 934 CD GLU 1 80 0.020 -11.638 3.561 1.00 0.00 C ATOM 935 OE1 GLU 1 80 -0.057 -11.000 4.631 1.00 0.00 O ATOM 936 OE2 GLU 1 80 0.142 -12.880 3.511 1.00 0.00 O ATOM 0 H GLU 1 80 1.946 -7.420 1.181 1.00 0.00 H new ATOM 0 HA GLU 1 80 -0.628 -8.855 0.846 1.00 0.00 H new ATOM 0 HB2 GLU 1 80 1.771 -9.778 1.921 1.00 0.00 H new ATOM 0 HB3 GLU 1 80 0.876 -9.265 3.337 1.00 0.00 H new ATOM 0 HG2 GLU 1 80 -1.079 -10.631 2.025 1.00 0.00 H new ATOM 0 HG3 GLU 1 80 0.331 -11.498 1.448 1.00 0.00 H new ATOM 943 N PHE 1 81 -1.472 -7.852 3.212 1.00 0.00 N ATOM 944 CA PHE 1 81 -2.146 -6.950 4.138 1.00 0.00 C ATOM 945 C PHE 1 81 -2.660 -7.685 5.372 1.00 0.00 C ATOM 946 O PHE 1 81 -3.007 -8.864 5.310 1.00 0.00 O ATOM 947 CB PHE 1 81 -3.305 -6.245 3.433 1.00 0.00 C ATOM 948 CG PHE 1 81 -2.893 -5.523 2.183 1.00 0.00 C ATOM 949 CD1 PHE 1 81 -2.471 -4.205 2.236 1.00 0.00 C ATOM 950 CD2 PHE 1 81 -2.926 -6.165 0.956 1.00 0.00 C ATOM 951 CE1 PHE 1 81 -2.089 -3.539 1.087 1.00 0.00 C ATOM 952 CE2 PHE 1 81 -2.546 -5.504 -0.195 1.00 0.00 C ATOM 953 CZ PHE 1 81 -2.127 -4.190 -0.131 1.00 0.00 C ATOM 0 H PHE 1 81 -1.816 -8.812 3.224 1.00 0.00 H new ATOM 0 HA PHE 1 81 -1.416 -6.212 4.470 1.00 0.00 H new ATOM 0 HB2 PHE 1 81 -4.070 -6.980 3.183 1.00 0.00 H new ATOM 0 HB3 PHE 1 81 -3.760 -5.533 4.122 1.00 0.00 H new ATOM 0 HD1 PHE 1 81 -2.440 -3.692 3.186 1.00 0.00 H new ATOM 0 HD2 PHE 1 81 -3.252 -7.193 0.899 1.00 0.00 H new ATOM 0 HE1 PHE 1 81 -1.761 -2.511 1.141 1.00 0.00 H new ATOM 0 HE2 PHE 1 81 -2.577 -6.015 -1.146 1.00 0.00 H new ATOM 0 HZ PHE 1 81 -1.830 -3.672 -1.031 1.00 0.00 H new ATOM 963 N ASP 1 82 -2.711 -6.967 6.489 1.00 0.00 N ATOM 964 CA ASP 1 82 -3.190 -7.527 7.748 1.00 0.00 C ATOM 965 C ASP 1 82 -4.162 -6.563 8.417 1.00 0.00 C ATOM 966 O ASP 1 82 -3.752 -5.639 9.121 1.00 0.00 O ATOM 967 CB ASP 1 82 -2.016 -7.821 8.682 1.00 0.00 C ATOM 968 CG ASP 1 82 -2.440 -8.580 9.924 1.00 0.00 C ATOM 969 OD1 ASP 1 82 -3.541 -8.301 10.443 1.00 0.00 O ATOM 970 OD2 ASP 1 82 -1.671 -9.453 10.378 1.00 0.00 O ATOM 0 H ASP 1 82 -2.425 -5.990 6.548 1.00 0.00 H new ATOM 0 HA ASP 1 82 -3.710 -8.461 7.536 1.00 0.00 H new ATOM 0 HB2 ASP 1 82 -1.264 -8.400 8.145 1.00 0.00 H new ATOM 0 HB3 ASP 1 82 -1.546 -6.883 8.976 1.00 0.00 H new ATOM 975 N LEU 1 83 -5.451 -6.773 8.176 1.00 0.00 N ATOM 976 CA LEU 1 83 -6.486 -5.918 8.734 1.00 0.00 C ATOM 977 C LEU 1 83 -6.787 -6.271 10.186 1.00 0.00 C ATOM 978 O LEU 1 83 -6.677 -7.427 10.596 1.00 0.00 O ATOM 979 CB LEU 1 83 -7.749 -6.038 7.886 1.00 0.00 C ATOM 980 CG LEU 1 83 -8.999 -5.379 8.461 1.00 0.00 C ATOM 981 CD1 LEU 1 83 -8.843 -3.866 8.491 1.00 0.00 C ATOM 982 CD2 LEU 1 83 -10.213 -5.783 7.642 1.00 0.00 C ATOM 0 H LEU 1 83 -5.803 -7.533 7.594 1.00 0.00 H new ATOM 0 HA LEU 1 83 -6.127 -4.889 8.719 1.00 0.00 H new ATOM 0 HB2 LEU 1 83 -7.549 -5.603 6.907 1.00 0.00 H new ATOM 0 HB3 LEU 1 83 -7.959 -7.096 7.728 1.00 0.00 H new ATOM 0 HG LEU 1 83 -9.140 -5.719 9.487 1.00 0.00 H new ATOM 0 HD11 LEU 1 83 -9.745 -3.415 8.904 1.00 0.00 H new ATOM 0 HD12 LEU 1 83 -7.987 -3.601 9.112 1.00 0.00 H new ATOM 0 HD13 LEU 1 83 -8.684 -3.496 7.478 1.00 0.00 H new ATOM 0 HD21 LEU 1 83 -11.104 -5.311 8.055 1.00 0.00 H new ATOM 0 HD22 LEU 1 83 -10.078 -5.462 6.609 1.00 0.00 H new ATOM 0 HD23 LEU 1 83 -10.329 -6.866 7.673 1.00 0.00 H new ATOM 994 N ARG 1 84 -7.176 -5.259 10.953 1.00 0.00 N ATOM 995 CA ARG 1 84 -7.507 -5.437 12.356 1.00 0.00 C ATOM 996 C ARG 1 84 -8.590 -4.449 12.771 1.00 0.00 C ATOM 997 O ARG 1 84 -8.316 -3.264 13.006 1.00 0.00 O ATOM 998 CB ARG 1 84 -6.272 -5.253 13.237 1.00 0.00 C ATOM 999 CG ARG 1 84 -5.351 -4.156 12.766 1.00 0.00 C ATOM 1000 CD ARG 1 84 -4.342 -4.682 11.772 1.00 0.00 C ATOM 1001 NE ARG 1 84 -3.025 -4.878 12.378 1.00 0.00 N ATOM 1002 CZ ARG 1 84 -2.580 -6.048 12.838 1.00 0.00 C ATOM 1003 NH1 ARG 1 84 -3.333 -7.138 12.756 1.00 0.00 N ATOM 1004 NH2 ARG 1 84 -1.373 -6.127 13.381 1.00 0.00 N ATOM 0 H ARG 1 84 -7.269 -4.299 10.620 1.00 0.00 H new ATOM 0 HA ARG 1 84 -7.878 -6.453 12.489 1.00 0.00 H new ATOM 0 HB2 ARG 1 84 -6.592 -5.034 14.256 1.00 0.00 H new ATOM 0 HB3 ARG 1 84 -5.718 -6.191 13.272 1.00 0.00 H new ATOM 0 HG2 ARG 1 84 -5.935 -3.358 12.308 1.00 0.00 H new ATOM 0 HG3 ARG 1 84 -4.832 -3.721 13.620 1.00 0.00 H new ATOM 0 HD2 ARG 1 84 -4.696 -5.628 11.362 1.00 0.00 H new ATOM 0 HD3 ARG 1 84 -4.257 -3.985 10.938 1.00 0.00 H new ATOM 0 HE ARG 1 84 -2.408 -4.069 12.453 1.00 0.00 H new ATOM 0 HH11 ARG 1 84 -4.262 -7.086 12.338 1.00 0.00 H new ATOM 0 HH12 ARG 1 84 -2.983 -8.028 13.111 1.00 0.00 H new ATOM 0 HH21 ARG 1 84 -0.788 -5.294 13.446 1.00 0.00 H new ATOM 0 HH22 ARG 1 84 -1.030 -7.020 13.734 1.00 0.00 H new ATOM 1018 N PRO 1 85 -9.844 -4.924 12.854 1.00 0.00 N ATOM 1019 CA PRO 1 85 -10.980 -4.089 13.241 1.00 0.00 C ATOM 1020 C PRO 1 85 -10.738 -3.308 14.536 1.00 0.00 C ATOM 1021 O PRO 1 85 -11.233 -2.193 14.683 1.00 0.00 O ATOM 1022 CB PRO 1 85 -12.114 -5.098 13.437 1.00 0.00 C ATOM 1023 CG PRO 1 85 -11.756 -6.246 12.560 1.00 0.00 C ATOM 1024 CD PRO 1 85 -10.255 -6.315 12.560 1.00 0.00 C ATOM 0 HA PRO 1 85 -11.186 -3.326 12.490 1.00 0.00 H new ATOM 0 HB2 PRO 1 85 -12.194 -5.406 14.479 1.00 0.00 H new ATOM 0 HB3 PRO 1 85 -13.077 -4.671 13.156 1.00 0.00 H new ATOM 0 HG2 PRO 1 85 -12.189 -7.173 12.935 1.00 0.00 H new ATOM 0 HG3 PRO 1 85 -12.140 -6.100 11.550 1.00 0.00 H new ATOM 0 HD2 PRO 1 85 -9.885 -7.010 13.314 1.00 0.00 H new ATOM 0 HD3 PRO 1 85 -9.869 -6.653 11.598 1.00 0.00 H new ATOM 1032 N PRO 1 86 -10.001 -3.885 15.511 1.00 0.00 N ATOM 1033 CA PRO 1 86 -9.729 -3.251 16.788 1.00 0.00 C ATOM 1034 C PRO 1 86 -8.318 -2.666 16.884 1.00 0.00 C ATOM 1035 O PRO 1 86 -7.473 -3.189 17.612 1.00 0.00 O ATOM 1036 CB PRO 1 86 -9.875 -4.436 17.742 1.00 0.00 C ATOM 1037 CG PRO 1 86 -9.458 -5.641 16.941 1.00 0.00 C ATOM 1038 CD PRO 1 86 -9.392 -5.217 15.487 1.00 0.00 C ATOM 0 HA PRO 1 86 -10.383 -2.402 16.985 1.00 0.00 H new ATOM 0 HB2 PRO 1 86 -9.246 -4.312 18.623 1.00 0.00 H new ATOM 0 HB3 PRO 1 86 -10.902 -4.534 18.095 1.00 0.00 H new ATOM 0 HG2 PRO 1 86 -8.489 -6.009 17.278 1.00 0.00 H new ATOM 0 HG3 PRO 1 86 -10.171 -6.455 17.072 1.00 0.00 H new ATOM 0 HD2 PRO 1 86 -8.366 -5.186 15.121 1.00 0.00 H new ATOM 0 HD3 PRO 1 86 -9.941 -5.902 14.840 1.00 0.00 H new ATOM 1046 N PRO 1 87 -8.038 -1.567 16.161 1.00 0.00 N ATOM 1047 CA PRO 1 87 -6.720 -0.923 16.190 1.00 0.00 C ATOM 1048 C PRO 1 87 -6.375 -0.383 17.573 1.00 0.00 C ATOM 1049 O PRO 1 87 -7.189 -0.447 18.495 1.00 0.00 O ATOM 1050 CB PRO 1 87 -6.852 0.224 15.185 1.00 0.00 C ATOM 1051 CG PRO 1 87 -8.315 0.474 15.086 1.00 0.00 C ATOM 1052 CD PRO 1 87 -8.973 -0.862 15.271 1.00 0.00 C ATOM 0 HA PRO 1 87 -5.921 -1.623 15.947 1.00 0.00 H new ATOM 0 HB2 PRO 1 87 -6.321 1.112 15.526 1.00 0.00 H new ATOM 0 HB3 PRO 1 87 -6.430 -0.047 14.217 1.00 0.00 H new ATOM 0 HG2 PRO 1 87 -8.643 1.180 15.849 1.00 0.00 H new ATOM 0 HG3 PRO 1 87 -8.573 0.906 14.119 1.00 0.00 H new ATOM 0 HD2 PRO 1 87 -9.963 -0.767 15.718 1.00 0.00 H new ATOM 0 HD3 PRO 1 87 -9.100 -1.385 14.323 1.00 0.00 H new ATOM 1060 N LYS 1 88 -5.162 0.139 17.716 1.00 0.00 N ATOM 1061 CA LYS 1 88 -4.710 0.679 18.994 1.00 0.00 C ATOM 1062 C LYS 1 88 -4.891 2.196 19.069 1.00 0.00 C ATOM 1063 O LYS 1 88 -5.045 2.754 20.155 1.00 0.00 O ATOM 1064 CB LYS 1 88 -3.240 0.295 19.237 1.00 0.00 C ATOM 1065 CG LYS 1 88 -2.227 1.381 18.884 1.00 0.00 C ATOM 1066 CD LYS 1 88 -2.218 1.684 17.393 1.00 0.00 C ATOM 1067 CE LYS 1 88 -0.805 1.671 16.830 1.00 0.00 C ATOM 1068 NZ LYS 1 88 -0.798 1.766 15.344 1.00 0.00 N ATOM 0 H LYS 1 88 -4.475 0.200 16.965 1.00 0.00 H new ATOM 0 HA LYS 1 88 -5.328 0.243 19.778 1.00 0.00 H new ATOM 0 HB2 LYS 1 88 -3.117 0.031 20.287 1.00 0.00 H new ATOM 0 HB3 LYS 1 88 -3.012 -0.598 18.655 1.00 0.00 H new ATOM 0 HG2 LYS 1 88 -2.461 2.290 19.438 1.00 0.00 H new ATOM 0 HG3 LYS 1 88 -1.232 1.065 19.196 1.00 0.00 H new ATOM 0 HD2 LYS 1 88 -2.827 0.948 16.867 1.00 0.00 H new ATOM 0 HD3 LYS 1 88 -2.672 2.659 17.216 1.00 0.00 H new ATOM 0 HE2 LYS 1 88 -0.239 2.503 17.250 1.00 0.00 H new ATOM 0 HE3 LYS 1 88 -0.300 0.755 17.138 1.00 0.00 H new ATOM 0 HZ1 LYS 1 88 0.183 1.754 15.000 1.00 0.00 H new ATOM 0 HZ2 LYS 1 88 -1.316 0.959 14.942 1.00 0.00 H new ATOM 0 HZ3 LYS 1 88 -1.257 2.652 15.051 1.00 0.00 H new ATOM 1082 N LYS 1 89 -4.848 2.862 17.919 1.00 0.00 N ATOM 1083 CA LYS 1 89 -4.984 4.316 17.882 1.00 0.00 C ATOM 1084 C LYS 1 89 -6.026 4.771 16.872 1.00 0.00 C ATOM 1085 O LYS 1 89 -5.894 5.842 16.278 1.00 0.00 O ATOM 1086 CB LYS 1 89 -3.637 4.961 17.558 1.00 0.00 C ATOM 1087 CG LYS 1 89 -3.569 6.439 17.912 1.00 0.00 C ATOM 1088 CD LYS 1 89 -3.345 7.300 16.679 1.00 0.00 C ATOM 1089 CE LYS 1 89 -2.472 8.505 16.992 1.00 0.00 C ATOM 1090 NZ LYS 1 89 -1.032 8.232 16.726 1.00 0.00 N ATOM 0 H LYS 1 89 -4.721 2.423 17.007 1.00 0.00 H new ATOM 0 HA LYS 1 89 -5.320 4.634 18.869 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -2.851 4.431 18.095 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -3.433 4.841 16.494 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -4.495 6.739 18.403 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -2.762 6.606 18.625 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -2.876 6.703 15.897 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -4.306 7.637 16.290 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -2.797 9.355 16.392 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -2.601 8.785 18.037 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -0.471 9.078 16.952 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -0.714 7.438 17.317 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -0.904 7.990 15.723 1.00 0.00 H new ATOM 1104 N GLY 1 90 -7.060 3.967 16.677 1.00 0.00 N ATOM 1105 CA GLY 1 90 -8.091 4.338 15.733 1.00 0.00 C ATOM 1106 C GLY 1 90 -9.323 3.459 15.822 1.00 0.00 C ATOM 1107 O GLY 1 90 -9.598 2.866 16.865 1.00 0.00 O ATOM 0 H GLY 1 90 -7.203 3.074 17.150 1.00 0.00 H new ATOM 0 HA2 GLY 1 90 -8.378 5.375 15.907 1.00 0.00 H new ATOM 0 HA3 GLY 1 90 -7.686 4.285 14.722 1.00 0.00 H new ATOM 1111 N ARG 1 91 -10.065 3.377 14.722 1.00 0.00 N ATOM 1112 CA ARG 1 91 -11.274 2.565 14.671 1.00 0.00 C ATOM 1113 C ARG 1 91 -11.016 1.262 13.921 1.00 0.00 C ATOM 1114 O ARG 1 91 -11.419 0.188 14.363 1.00 0.00 O ATOM 1115 CB ARG 1 91 -12.405 3.340 13.994 1.00 0.00 C ATOM 1116 CG ARG 1 91 -13.151 4.271 14.936 1.00 0.00 C ATOM 1117 CD ARG 1 91 -12.282 5.439 15.380 1.00 0.00 C ATOM 1118 NE ARG 1 91 -12.134 5.489 16.832 1.00 0.00 N ATOM 1119 CZ ARG 1 91 -11.422 6.414 17.473 1.00 0.00 C ATOM 1120 NH1 ARG 1 91 -10.792 7.365 16.794 1.00 0.00 N ATOM 1121 NH2 ARG 1 91 -11.340 6.388 18.796 1.00 0.00 N ATOM 0 H ARG 1 91 -9.849 3.865 13.853 1.00 0.00 H new ATOM 0 HA ARG 1 91 -11.568 2.327 15.693 1.00 0.00 H new ATOM 0 HB2 ARG 1 91 -11.993 3.923 13.171 1.00 0.00 H new ATOM 0 HB3 ARG 1 91 -13.111 2.632 13.561 1.00 0.00 H new ATOM 0 HG2 ARG 1 91 -14.045 4.650 14.440 1.00 0.00 H new ATOM 0 HG3 ARG 1 91 -13.484 3.713 15.811 1.00 0.00 H new ATOM 0 HD2 ARG 1 91 -11.298 5.355 14.918 1.00 0.00 H new ATOM 0 HD3 ARG 1 91 -12.721 6.372 15.028 1.00 0.00 H new ATOM 0 HE ARG 1 91 -12.603 4.774 17.388 1.00 0.00 H new ATOM 0 HH11 ARG 1 91 -10.852 7.390 15.776 1.00 0.00 H new ATOM 0 HH12 ARG 1 91 -10.248 8.071 17.290 1.00 0.00 H new ATOM 0 HH21 ARG 1 91 -11.822 5.660 19.323 1.00 0.00 H new ATOM 0 HH22 ARG 1 91 -10.795 7.096 19.287 1.00 0.00 H new ATOM 1135 N GLN 1 92 -10.337 1.372 12.784 1.00 0.00 N ATOM 1136 CA GLN 1 92 -10.009 0.213 11.959 1.00 0.00 C ATOM 1137 C GLN 1 92 -8.670 0.433 11.260 1.00 0.00 C ATOM 1138 O GLN 1 92 -8.478 1.458 10.605 1.00 0.00 O ATOM 1139 CB GLN 1 92 -11.109 -0.016 10.917 1.00 0.00 C ATOM 1140 CG GLN 1 92 -11.930 -1.272 11.156 1.00 0.00 C ATOM 1141 CD GLN 1 92 -11.671 -2.346 10.115 1.00 0.00 C ATOM 1142 OE1 GLN 1 92 -11.005 -2.104 9.109 1.00 0.00 O ATOM 1143 NE2 GLN 1 92 -12.200 -3.542 10.350 1.00 0.00 N ATOM 0 H GLN 1 92 -10.000 2.259 12.410 1.00 0.00 H new ATOM 0 HA GLN 1 92 -9.936 -0.667 12.598 1.00 0.00 H new ATOM 0 HB2 GLN 1 92 -11.776 0.846 10.911 1.00 0.00 H new ATOM 0 HB3 GLN 1 92 -10.653 -0.074 9.928 1.00 0.00 H new ATOM 0 HG2 GLN 1 92 -11.702 -1.668 12.146 1.00 0.00 H new ATOM 0 HG3 GLN 1 92 -12.989 -1.015 11.152 1.00 0.00 H new ATOM 0 HE21 GLN 1 92 -12.746 -3.701 11.197 1.00 0.00 H new ATOM 0 HE22 GLN 1 92 -12.060 -4.301 9.684 1.00 0.00 H new ATOM 1152 N VAL 1 93 -7.740 -0.514 11.390 1.00 0.00 N ATOM 1153 CA VAL 1 93 -6.437 -0.354 10.744 1.00 0.00 C ATOM 1154 C VAL 1 93 -6.063 -1.566 9.892 1.00 0.00 C ATOM 1155 O VAL 1 93 -6.358 -2.707 10.245 1.00 0.00 O ATOM 1156 CB VAL 1 93 -5.317 -0.052 11.770 1.00 0.00 C ATOM 1157 CG1 VAL 1 93 -4.820 -1.309 12.463 1.00 0.00 C ATOM 1158 CG2 VAL 1 93 -4.166 0.681 11.098 1.00 0.00 C ATOM 0 H VAL 1 93 -7.858 -1.377 11.921 1.00 0.00 H new ATOM 0 HA VAL 1 93 -6.531 0.505 10.080 1.00 0.00 H new ATOM 0 HB VAL 1 93 -5.745 0.590 12.540 1.00 0.00 H new ATOM 0 HG11 VAL 1 93 -4.036 -1.047 13.173 1.00 0.00 H new ATOM 0 HG12 VAL 1 93 -5.646 -1.783 12.993 1.00 0.00 H new ATOM 0 HG13 VAL 1 93 -4.421 -2.000 11.721 1.00 0.00 H new ATOM 0 HG21 VAL 1 93 -3.387 0.886 11.832 1.00 0.00 H new ATOM 0 HG22 VAL 1 93 -3.758 0.062 10.299 1.00 0.00 H new ATOM 0 HG23 VAL 1 93 -4.527 1.621 10.681 1.00 0.00 H new ATOM 1168 N LEU 1 94 -5.414 -1.297 8.761 1.00 0.00 N ATOM 1169 CA LEU 1 94 -4.994 -2.348 7.841 1.00 0.00 C ATOM 1170 C LEU 1 94 -3.551 -2.125 7.393 1.00 0.00 C ATOM 1171 O LEU 1 94 -3.236 -1.114 6.765 1.00 0.00 O ATOM 1172 CB LEU 1 94 -5.931 -2.386 6.625 1.00 0.00 C ATOM 1173 CG LEU 1 94 -5.547 -3.363 5.504 1.00 0.00 C ATOM 1174 CD1 LEU 1 94 -4.664 -2.677 4.473 1.00 0.00 C ATOM 1175 CD2 LEU 1 94 -4.854 -4.596 6.064 1.00 0.00 C ATOM 0 H LEU 1 94 -5.167 -0.354 8.460 1.00 0.00 H new ATOM 0 HA LEU 1 94 -5.047 -3.306 8.358 1.00 0.00 H new ATOM 0 HB2 LEU 1 94 -6.933 -2.639 6.972 1.00 0.00 H new ATOM 0 HB3 LEU 1 94 -5.984 -1.383 6.202 1.00 0.00 H new ATOM 0 HG LEU 1 94 -6.465 -3.686 5.013 1.00 0.00 H new ATOM 0 HD11 LEU 1 94 -4.403 -3.386 3.688 1.00 0.00 H new ATOM 0 HD12 LEU 1 94 -5.201 -1.834 4.037 1.00 0.00 H new ATOM 0 HD13 LEU 1 94 -3.754 -2.318 4.954 1.00 0.00 H new ATOM 0 HD21 LEU 1 94 -4.594 -5.270 5.247 1.00 0.00 H new ATOM 0 HD22 LEU 1 94 -3.948 -4.297 6.590 1.00 0.00 H new ATOM 0 HD23 LEU 1 94 -5.523 -5.107 6.756 1.00 0.00 H new ATOM 1187 N ILE 1 95 -2.677 -3.069 7.729 1.00 0.00 N ATOM 1188 CA ILE 1 95 -1.265 -2.969 7.370 1.00 0.00 C ATOM 1189 C ILE 1 95 -1.024 -3.375 5.920 1.00 0.00 C ATOM 1190 O ILE 1 95 -1.714 -4.240 5.383 1.00 0.00 O ATOM 1191 CB ILE 1 95 -0.389 -3.844 8.287 1.00 0.00 C ATOM 1192 CG1 ILE 1 95 -0.681 -3.530 9.755 1.00 0.00 C ATOM 1193 CG2 ILE 1 95 1.086 -3.630 7.979 1.00 0.00 C ATOM 1194 CD1 ILE 1 95 -0.750 -4.761 10.630 1.00 0.00 C ATOM 0 H ILE 1 95 -2.921 -3.912 8.249 1.00 0.00 H new ATOM 0 HA ILE 1 95 -0.987 -1.923 7.497 1.00 0.00 H new ATOM 0 HB ILE 1 95 -0.629 -4.891 8.101 1.00 0.00 H new ATOM 0 HG12 ILE 1 95 0.093 -2.864 10.137 1.00 0.00 H new ATOM 0 HG13 ILE 1 95 -1.626 -2.992 9.823 1.00 0.00 H new ATOM 0 HG21 ILE 1 95 1.689 -4.256 8.636 1.00 0.00 H new ATOM 0 HG22 ILE 1 95 1.283 -3.898 6.941 1.00 0.00 H new ATOM 0 HG23 ILE 1 95 1.343 -2.583 8.139 1.00 0.00 H new ATOM 0 HD11 ILE 1 95 -0.960 -4.465 11.658 1.00 0.00 H new ATOM 0 HD12 ILE 1 95 -1.543 -5.418 10.272 1.00 0.00 H new ATOM 0 HD13 ILE 1 95 0.203 -5.288 10.592 1.00 0.00 H new ATOM 1206 N ALA 1 96 -0.035 -2.744 5.292 1.00 0.00 N ATOM 1207 CA ALA 1 96 0.303 -3.040 3.905 1.00 0.00 C ATOM 1208 C ALA 1 96 1.805 -3.241 3.736 1.00 0.00 C ATOM 1209 O ALA 1 96 2.580 -2.284 3.777 1.00 0.00 O ATOM 1210 CB ALA 1 96 -0.188 -1.927 2.992 1.00 0.00 C ATOM 0 H ALA 1 96 0.546 -2.025 5.723 1.00 0.00 H new ATOM 0 HA ALA 1 96 -0.195 -3.969 3.627 1.00 0.00 H new ATOM 0 HB1 ALA 1 96 0.072 -2.162 1.960 1.00 0.00 H new ATOM 0 HB2 ALA 1 96 -1.270 -1.834 3.082 1.00 0.00 H new ATOM 0 HB3 ALA 1 96 0.282 -0.987 3.279 1.00 0.00 H new ATOM 1216 N LYS 1 97 2.210 -4.492 3.543 1.00 0.00 N ATOM 1217 CA LYS 1 97 3.620 -4.822 3.364 1.00 0.00 C ATOM 1218 C LYS 1 97 3.903 -5.192 1.913 1.00 0.00 C ATOM 1219 O LYS 1 97 3.037 -5.727 1.223 1.00 0.00 O ATOM 1220 CB LYS 1 97 4.019 -5.977 4.286 1.00 0.00 C ATOM 1221 CG LYS 1 97 3.445 -5.864 5.689 1.00 0.00 C ATOM 1222 CD LYS 1 97 3.676 -7.135 6.490 1.00 0.00 C ATOM 1223 CE LYS 1 97 2.912 -8.311 5.902 1.00 0.00 C ATOM 1224 NZ LYS 1 97 2.981 -9.512 6.779 1.00 0.00 N ATOM 0 H LYS 1 97 1.582 -5.295 3.506 1.00 0.00 H new ATOM 0 HA LYS 1 97 4.212 -3.944 3.623 1.00 0.00 H new ATOM 0 HB2 LYS 1 97 3.688 -6.916 3.842 1.00 0.00 H new ATOM 0 HB3 LYS 1 97 5.106 -6.020 4.350 1.00 0.00 H new ATOM 0 HG2 LYS 1 97 3.904 -5.020 6.204 1.00 0.00 H new ATOM 0 HG3 LYS 1 97 2.376 -5.659 5.630 1.00 0.00 H new ATOM 0 HD2 LYS 1 97 4.741 -7.365 6.510 1.00 0.00 H new ATOM 0 HD3 LYS 1 97 3.365 -6.977 7.523 1.00 0.00 H new ATOM 0 HE2 LYS 1 97 1.870 -8.029 5.754 1.00 0.00 H new ATOM 0 HE3 LYS 1 97 3.319 -8.554 4.921 1.00 0.00 H new ATOM 0 HZ1 LYS 1 97 2.448 -10.291 6.343 1.00 0.00 H new ATOM 0 HZ2 LYS 1 97 3.974 -9.797 6.900 1.00 0.00 H new ATOM 0 HZ3 LYS 1 97 2.569 -9.288 7.707 1.00 0.00 H new ATOM 1238 N VAL 1 98 5.116 -4.901 1.452 1.00 0.00 N ATOM 1239 CA VAL 1 98 5.502 -5.203 0.079 1.00 0.00 C ATOM 1240 C VAL 1 98 6.924 -5.755 0.007 1.00 0.00 C ATOM 1241 O VAL 1 98 7.771 -5.425 0.837 1.00 0.00 O ATOM 1242 CB VAL 1 98 5.402 -3.951 -0.814 1.00 0.00 C ATOM 1243 CG1 VAL 1 98 6.360 -2.871 -0.334 1.00 0.00 C ATOM 1244 CG2 VAL 1 98 5.669 -4.304 -2.269 1.00 0.00 C ATOM 0 H VAL 1 98 5.847 -4.457 2.008 1.00 0.00 H new ATOM 0 HA VAL 1 98 4.809 -5.962 -0.284 1.00 0.00 H new ATOM 0 HB VAL 1 98 4.387 -3.561 -0.742 1.00 0.00 H new ATOM 0 HG11 VAL 1 98 6.274 -1.996 -0.978 1.00 0.00 H new ATOM 0 HG12 VAL 1 98 6.112 -2.594 0.691 1.00 0.00 H new ATOM 0 HG13 VAL 1 98 7.382 -3.249 -0.370 1.00 0.00 H new ATOM 0 HG21 VAL 1 98 5.593 -3.405 -2.881 1.00 0.00 H new ATOM 0 HG22 VAL 1 98 6.670 -4.724 -2.364 1.00 0.00 H new ATOM 0 HG23 VAL 1 98 4.935 -5.036 -2.606 1.00 0.00 H new ATOM 1254 N THR 1 99 7.177 -6.593 -0.993 1.00 0.00 N ATOM 1255 CA THR 1 99 8.496 -7.187 -1.178 1.00 0.00 C ATOM 1256 C THR 1 99 8.707 -7.608 -2.631 1.00 0.00 C ATOM 1257 O THR 1 99 8.379 -8.731 -3.014 1.00 0.00 O ATOM 1258 CB THR 1 99 8.666 -8.395 -0.256 1.00 0.00 C ATOM 1259 OG1 THR 1 99 8.456 -8.028 1.096 1.00 0.00 O ATOM 1260 CG2 THR 1 99 10.036 -9.032 -0.350 1.00 0.00 C ATOM 0 H THR 1 99 6.486 -6.876 -1.688 1.00 0.00 H new ATOM 0 HA THR 1 99 9.244 -6.435 -0.925 1.00 0.00 H new ATOM 0 HB THR 1 99 7.922 -9.119 -0.589 1.00 0.00 H new ATOM 0 HG1 THR 1 99 8.568 -8.815 1.670 1.00 0.00 H new ATOM 0 HG21 THR 1 99 10.089 -9.883 0.329 1.00 0.00 H new ATOM 0 HG22 THR 1 99 10.210 -9.372 -1.371 1.00 0.00 H new ATOM 0 HG23 THR 1 99 10.797 -8.301 -0.076 1.00 0.00 H new ATOM 1268 N PRO 1 100 9.256 -6.706 -3.466 1.00 0.00 N ATOM 1269 CA PRO 1 100 9.511 -6.977 -4.873 1.00 0.00 C ATOM 1270 C PRO 1 100 10.872 -7.635 -5.093 1.00 0.00 C ATOM 1271 O PRO 1 100 10.956 -8.853 -5.253 1.00 0.00 O ATOM 1272 CB PRO 1 100 9.458 -5.585 -5.521 1.00 0.00 C ATOM 1273 CG PRO 1 100 9.415 -4.591 -4.393 1.00 0.00 C ATOM 1274 CD PRO 1 100 9.668 -5.349 -3.116 1.00 0.00 C ATOM 0 HA PRO 1 100 8.791 -7.677 -5.297 1.00 0.00 H new ATOM 0 HB2 PRO 1 100 10.330 -5.418 -6.153 1.00 0.00 H new ATOM 0 HB3 PRO 1 100 8.579 -5.487 -6.158 1.00 0.00 H new ATOM 0 HG2 PRO 1 100 10.168 -3.816 -4.535 1.00 0.00 H new ATOM 0 HG3 PRO 1 100 8.447 -4.092 -4.358 1.00 0.00 H new ATOM 0 HD2 PRO 1 100 10.716 -5.307 -2.820 1.00 0.00 H new ATOM 0 HD3 PRO 1 100 9.086 -4.950 -2.285 1.00 0.00 H new ATOM 1282 N GLY 1 101 11.939 -6.835 -5.092 1.00 0.00 N ATOM 1283 CA GLY 1 101 13.265 -7.391 -5.283 1.00 0.00 C ATOM 1284 C GLY 1 101 14.237 -6.431 -5.945 1.00 0.00 C ATOM 1285 O GLY 1 101 15.295 -6.134 -5.391 1.00 0.00 O ATOM 0 H GLY 1 101 11.907 -5.824 -4.964 1.00 0.00 H new ATOM 0 HA2 GLY 1 101 13.667 -7.692 -4.315 1.00 0.00 H new ATOM 0 HA3 GLY 1 101 13.188 -8.293 -5.890 1.00 0.00 H new ATOM 1289 N VAL 1 102 13.894 -5.960 -7.141 1.00 0.00 N ATOM 1290 CA VAL 1 102 14.767 -5.050 -7.876 1.00 0.00 C ATOM 1291 C VAL 1 102 14.197 -3.636 -7.954 1.00 0.00 C ATOM 1292 O VAL 1 102 12.984 -3.444 -8.027 1.00 0.00 O ATOM 1293 CB VAL 1 102 15.029 -5.567 -9.305 1.00 0.00 C ATOM 1294 CG1 VAL 1 102 13.811 -5.354 -10.196 1.00 0.00 C ATOM 1295 CG2 VAL 1 102 16.257 -4.894 -9.899 1.00 0.00 C ATOM 0 H VAL 1 102 13.023 -6.192 -7.619 1.00 0.00 H new ATOM 0 HA VAL 1 102 15.705 -5.012 -7.321 1.00 0.00 H new ATOM 0 HB VAL 1 102 15.218 -6.639 -9.248 1.00 0.00 H new ATOM 0 HG11 VAL 1 102 14.023 -5.727 -11.198 1.00 0.00 H new ATOM 0 HG12 VAL 1 102 12.958 -5.892 -9.781 1.00 0.00 H new ATOM 0 HG13 VAL 1 102 13.579 -4.290 -10.247 1.00 0.00 H new ATOM 0 HG21 VAL 1 102 16.427 -5.271 -10.908 1.00 0.00 H new ATOM 0 HG22 VAL 1 102 16.099 -3.816 -9.936 1.00 0.00 H new ATOM 0 HG23 VAL 1 102 17.127 -5.112 -9.279 1.00 0.00 H new ATOM 1305 N LEU 1 103 15.092 -2.652 -7.955 1.00 0.00 N ATOM 1306 CA LEU 1 103 14.699 -1.252 -8.044 1.00 0.00 C ATOM 1307 C LEU 1 103 15.671 -0.479 -8.932 1.00 0.00 C ATOM 1308 O LEU 1 103 16.844 -0.321 -8.594 1.00 0.00 O ATOM 1309 CB LEU 1 103 14.635 -0.618 -6.649 1.00 0.00 C ATOM 1310 CG LEU 1 103 14.412 0.905 -6.608 1.00 0.00 C ATOM 1311 CD1 LEU 1 103 13.733 1.406 -7.875 1.00 0.00 C ATOM 1312 CD2 LEU 1 103 13.585 1.285 -5.391 1.00 0.00 C ATOM 0 H LEU 1 103 16.099 -2.801 -7.895 1.00 0.00 H new ATOM 0 HA LEU 1 103 13.706 -1.205 -8.491 1.00 0.00 H new ATOM 0 HB2 LEU 1 103 13.831 -1.098 -6.090 1.00 0.00 H new ATOM 0 HB3 LEU 1 103 15.565 -0.843 -6.127 1.00 0.00 H new ATOM 0 HG LEU 1 103 15.391 1.380 -6.541 1.00 0.00 H new ATOM 0 HD11 LEU 1 103 13.592 2.485 -7.810 1.00 0.00 H new ATOM 0 HD12 LEU 1 103 14.356 1.173 -8.738 1.00 0.00 H new ATOM 0 HD13 LEU 1 103 12.764 0.919 -7.985 1.00 0.00 H new ATOM 0 HD21 LEU 1 103 13.436 2.365 -5.375 1.00 0.00 H new ATOM 0 HD22 LEU 1 103 12.617 0.785 -5.438 1.00 0.00 H new ATOM 0 HD23 LEU 1 103 14.108 0.978 -4.485 1.00 0.00 H new ATOM 1324 N GLU 1 104 15.174 -0.001 -10.068 1.00 0.00 N ATOM 1325 CA GLU 1 104 15.997 0.756 -11.004 1.00 0.00 C ATOM 1326 C GLU 1 104 15.753 2.254 -10.855 1.00 0.00 C ATOM 1327 O GLU 1 104 14.610 2.711 -10.869 1.00 0.00 O ATOM 1328 CB GLU 1 104 15.704 0.320 -12.441 1.00 0.00 C ATOM 1329 CG GLU 1 104 16.207 -1.077 -12.768 1.00 0.00 C ATOM 1330 CD GLU 1 104 16.268 -1.340 -14.260 1.00 0.00 C ATOM 1331 OE1 GLU 1 104 16.656 -0.420 -15.010 1.00 0.00 O ATOM 1332 OE2 GLU 1 104 15.927 -2.466 -14.678 1.00 0.00 O ATOM 0 H GLU 1 104 14.205 -0.124 -10.363 1.00 0.00 H new ATOM 0 HA GLU 1 104 17.043 0.552 -10.776 1.00 0.00 H new ATOM 0 HB2 GLU 1 104 14.628 0.359 -12.611 1.00 0.00 H new ATOM 0 HB3 GLU 1 104 16.161 1.032 -13.128 1.00 0.00 H new ATOM 0 HG2 GLU 1 104 17.200 -1.212 -12.338 1.00 0.00 H new ATOM 0 HG3 GLU 1 104 15.554 -1.813 -12.299 1.00 0.00 H new ATOM 1339 N HIS 1 105 16.834 3.014 -10.713 1.00 0.00 N ATOM 1340 CA HIS 1 105 16.736 4.461 -10.561 1.00 0.00 C ATOM 1341 C HIS 1 105 16.495 5.135 -11.908 1.00 0.00 C ATOM 1342 O HIS 1 105 16.614 4.505 -12.959 1.00 0.00 O ATOM 1343 CB HIS 1 105 18.010 5.015 -9.921 1.00 0.00 C ATOM 1344 CG HIS 1 105 19.263 4.605 -10.631 1.00 0.00 C ATOM 1345 ND1 HIS 1 105 19.832 5.348 -11.644 1.00 0.00 N ATOM 1346 CD2 HIS 1 105 20.060 3.522 -10.468 1.00 0.00 C ATOM 1347 CE1 HIS 1 105 20.923 4.739 -12.075 1.00 0.00 C ATOM 1348 NE2 HIS 1 105 21.084 3.630 -11.377 1.00 0.00 N ATOM 0 H HIS 1 105 17.788 2.652 -10.700 1.00 0.00 H new ATOM 0 HA HIS 1 105 15.888 4.676 -9.911 1.00 0.00 H new ATOM 0 HB2 HIS 1 105 17.953 6.103 -9.901 1.00 0.00 H new ATOM 0 HB3 HIS 1 105 18.062 4.679 -8.885 1.00 0.00 H new ATOM 0 HD2 HIS 1 105 19.917 2.723 -9.756 1.00 0.00 H new ATOM 0 HE1 HIS 1 105 21.572 5.089 -12.864 1.00 0.00 H new ATOM 0 HE2 HIS 1 105 21.846 2.962 -11.494 1.00 0.00 H new ATOM 1357 N HIS 1 106 16.156 6.420 -11.869 1.00 0.00 N ATOM 1358 CA HIS 1 106 15.898 7.180 -13.086 1.00 0.00 C ATOM 1359 C HIS 1 106 15.891 8.678 -12.801 1.00 0.00 C ATOM 1360 O HIS 1 106 14.901 9.223 -12.314 1.00 0.00 O ATOM 1361 CB HIS 1 106 14.562 6.760 -13.702 1.00 0.00 C ATOM 1362 CG HIS 1 106 14.689 5.673 -14.724 1.00 0.00 C ATOM 1363 ND1 HIS 1 106 13.870 4.564 -14.750 1.00 0.00 N ATOM 1364 CD2 HIS 1 106 15.548 5.528 -15.761 1.00 0.00 C ATOM 1365 CE1 HIS 1 106 14.218 3.785 -15.758 1.00 0.00 C ATOM 1366 NE2 HIS 1 106 15.233 4.348 -16.388 1.00 0.00 N ATOM 0 H HIS 1 106 16.054 6.956 -11.007 1.00 0.00 H new ATOM 0 HA HIS 1 106 16.699 6.967 -13.794 1.00 0.00 H new ATOM 0 HB2 HIS 1 106 13.895 6.425 -12.908 1.00 0.00 H new ATOM 0 HB3 HIS 1 106 14.095 7.630 -14.165 1.00 0.00 H new ATOM 0 HD2 HIS 1 106 16.334 6.213 -16.042 1.00 0.00 H new ATOM 0 HE1 HIS 1 106 13.752 2.847 -16.022 1.00 0.00 H new ATOM 0 HE2 HIS 1 106 15.706 3.968 -17.208 1.00 0.00 H new ATOM 1375 N HIS 1 107 17.003 9.339 -13.108 1.00 0.00 N ATOM 1376 CA HIS 1 107 17.125 10.775 -12.884 1.00 0.00 C ATOM 1377 C HIS 1 107 16.795 11.553 -14.154 1.00 0.00 C ATOM 1378 O HIS 1 107 17.439 11.375 -15.188 1.00 0.00 O ATOM 1379 CB HIS 1 107 18.538 11.121 -12.413 1.00 0.00 C ATOM 1380 CG HIS 1 107 18.820 10.697 -11.005 1.00 0.00 C ATOM 1381 ND1 HIS 1 107 19.624 11.419 -10.148 1.00 0.00 N ATOM 1382 CD2 HIS 1 107 18.400 9.618 -10.304 1.00 0.00 C ATOM 1383 CE1 HIS 1 107 19.686 10.802 -8.981 1.00 0.00 C ATOM 1384 NE2 HIS 1 107 18.952 9.708 -9.050 1.00 0.00 N ATOM 0 H HIS 1 107 17.832 8.903 -13.512 1.00 0.00 H new ATOM 0 HA HIS 1 107 16.412 11.059 -12.110 1.00 0.00 H new ATOM 0 HB2 HIS 1 107 19.260 10.647 -13.078 1.00 0.00 H new ATOM 0 HB3 HIS 1 107 18.687 12.198 -12.496 1.00 0.00 H new ATOM 0 HD2 HIS 1 107 17.752 8.833 -10.664 1.00 0.00 H new ATOM 0 HE1 HIS 1 107 20.243 11.136 -8.118 1.00 0.00 H new ATOM 0 HE2 HIS 1 107 18.816 9.037 -8.294 1.00 0.00 H new ATOM 1393 N HIS 1 108 15.788 12.416 -14.069 1.00 0.00 N ATOM 1394 CA HIS 1 108 15.372 13.221 -15.211 1.00 0.00 C ATOM 1395 C HIS 1 108 15.149 14.673 -14.801 1.00 0.00 C ATOM 1396 O HIS 1 108 14.251 15.342 -15.313 1.00 0.00 O ATOM 1397 CB HIS 1 108 14.093 12.650 -15.826 1.00 0.00 C ATOM 1398 CG HIS 1 108 12.945 12.587 -14.867 1.00 0.00 C ATOM 1399 ND1 HIS 1 108 11.909 13.498 -14.872 1.00 0.00 N ATOM 1400 CD2 HIS 1 108 12.671 11.714 -13.869 1.00 0.00 C ATOM 1401 CE1 HIS 1 108 11.049 13.188 -13.918 1.00 0.00 C ATOM 1402 NE2 HIS 1 108 11.488 12.110 -13.296 1.00 0.00 N ATOM 0 H HIS 1 108 15.245 12.576 -13.221 1.00 0.00 H new ATOM 0 HA HIS 1 108 16.169 13.191 -15.954 1.00 0.00 H new ATOM 0 HB2 HIS 1 108 13.807 13.261 -16.683 1.00 0.00 H new ATOM 0 HB3 HIS 1 108 14.297 11.648 -16.203 1.00 0.00 H new ATOM 0 HD2 HIS 1 108 13.271 10.865 -13.578 1.00 0.00 H new ATOM 0 HE1 HIS 1 108 10.141 13.725 -13.687 1.00 0.00 H new ATOM 0 HE2 HIS 1 108 11.023 11.646 -12.516 1.00 0.00 H new ATOM 1411 N HIS 1 109 15.971 15.154 -13.874 1.00 0.00 N ATOM 1412 CA HIS 1 109 15.863 16.527 -13.395 1.00 0.00 C ATOM 1413 C HIS 1 109 17.231 17.202 -13.366 1.00 0.00 C ATOM 1414 O HIS 1 109 18.264 16.534 -13.376 1.00 0.00 O ATOM 1415 CB HIS 1 109 15.237 16.555 -12.000 1.00 0.00 C ATOM 1416 CG HIS 1 109 14.677 17.891 -11.622 1.00 0.00 C ATOM 1417 ND1 HIS 1 109 15.258 18.711 -10.677 1.00 0.00 N ATOM 1418 CD2 HIS 1 109 13.582 18.552 -12.068 1.00 0.00 C ATOM 1419 CE1 HIS 1 109 14.544 19.817 -10.557 1.00 0.00 C ATOM 1420 NE2 HIS 1 109 13.522 19.745 -11.391 1.00 0.00 N ATOM 0 H HIS 1 109 16.719 14.613 -13.440 1.00 0.00 H new ATOM 0 HA HIS 1 109 15.221 17.077 -14.084 1.00 0.00 H new ATOM 0 HB2 HIS 1 109 14.442 15.810 -11.952 1.00 0.00 H new ATOM 0 HB3 HIS 1 109 15.990 16.265 -11.267 1.00 0.00 H new ATOM 0 HD2 HIS 1 109 12.886 18.205 -12.817 1.00 0.00 H new ATOM 0 HE1 HIS 1 109 14.759 20.639 -9.891 1.00 0.00 H new ATOM 0 HE2 HIS 1 109 12.805 20.460 -11.512 1.00 0.00 H new ATOM 1429 N HIS 1 110 17.228 18.531 -13.328 1.00 0.00 N ATOM 1430 CA HIS 1 110 18.469 19.297 -13.297 1.00 0.00 C ATOM 1431 C HIS 1 110 19.207 19.083 -11.979 1.00 0.00 C ATOM 1432 O HIS 1 110 18.801 18.183 -11.214 1.00 0.00 O ATOM 1433 CB HIS 1 110 18.179 20.785 -13.497 1.00 0.00 C ATOM 1434 CG HIS 1 110 17.505 21.094 -14.797 1.00 0.00 C ATOM 1435 ND1 HIS 1 110 18.170 21.626 -15.882 1.00 0.00 N ATOM 1436 CD2 HIS 1 110 16.216 20.942 -15.186 1.00 0.00 C ATOM 1437 CE1 HIS 1 110 17.320 21.789 -16.881 1.00 0.00 C ATOM 1438 NE2 HIS 1 110 16.128 21.381 -16.484 1.00 0.00 N ATOM 1439 OXT HIS 1 110 20.185 19.817 -11.724 1.00 0.00 O ATOM 0 H HIS 1 110 16.381 19.099 -13.318 1.00 0.00 H new ATOM 0 HA HIS 1 110 19.105 18.946 -14.110 1.00 0.00 H new ATOM 0 HB2 HIS 1 110 17.551 21.137 -12.679 1.00 0.00 H new ATOM 0 HB3 HIS 1 110 19.116 21.340 -13.442 1.00 0.00 H new ATOM 0 HD2 HIS 1 110 15.408 20.549 -14.587 1.00 0.00 H new ATOM 0 HE1 HIS 1 110 17.559 22.188 -17.856 1.00 0.00 H new ATOM 0 HE2 HIS 1 110 15.280 21.391 -17.050 1.00 0.00 H new TER 1448 HIS 1 110