USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 578 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 GLN : amide:sc= -0.0546 X(o=0.37,f=0.42) USER MOD Set 1.2: A 69 ASN : amide:sc= 0.42 X(o=0.37,f=-0.11) USER MOD Single : A 17 SER OG : rot 180:sc= -0.298 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 71:sc= 0.287 USER MOD Single : A 31 GLN : amide:sc= 0.287 K(o=0.29,f=-0.36) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 57:sc= 0.919 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 156:sc= 1.27 (180deg=0.932) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 30:sc= -0.115 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.0332 X(o=-0.033,f=-0.16) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 74 GLN : amide:sc= 0.663 K(o=0.66,f=0) USER MOD Single : A 75 SER OG : rot -146:sc= 0.451 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0.915 K(o=0.92,f=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 14 15.907 -6.226 -5.390 1.00 0.00 N ATOM 2 CA LEU A 14 17.283 -6.275 -4.863 1.00 0.00 C ATOM 3 C LEU A 14 17.540 -5.098 -3.925 1.00 0.00 C ATOM 4 O LEU A 14 17.710 -5.326 -2.735 1.00 0.00 O ATOM 5 CB LEU A 14 18.361 -6.402 -5.961 1.00 0.00 C ATOM 6 CG LEU A 14 19.149 -7.722 -5.831 1.00 0.00 C ATOM 7 CD1 LEU A 14 20.158 -7.855 -6.975 1.00 0.00 C ATOM 8 CD2 LEU A 14 19.940 -7.808 -4.525 1.00 0.00 C ATOM 0 HA LEU A 14 17.368 -7.195 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.889 -6.354 -6.942 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.049 -5.559 -5.896 1.00 0.00 H new ATOM 0 HG LEU A 14 18.405 -8.518 -5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 14 20.706 -8.791 -6.870 1.00 0.00 H new ATOM 0 HD12 LEU A 14 19.630 -7.849 -7.928 1.00 0.00 H new ATOM 0 HD13 LEU A 14 20.857 -7.019 -6.942 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.475 -8.757 -4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.654 -6.986 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.255 -7.743 -3.680 1.00 0.00 H new ATOM 20 N LEU A 15 17.569 -3.852 -4.416 1.00 0.00 N ATOM 21 CA LEU A 15 17.828 -2.684 -3.563 1.00 0.00 C ATOM 22 C LEU A 15 16.690 -2.522 -2.560 1.00 0.00 C ATOM 23 O LEU A 15 15.609 -3.088 -2.763 1.00 0.00 O ATOM 24 CB LEU A 15 17.944 -1.391 -4.389 1.00 0.00 C ATOM 25 CG LEU A 15 19.157 -1.258 -5.320 1.00 0.00 C ATOM 26 CD1 LEU A 15 20.510 -1.336 -4.612 1.00 0.00 C ATOM 27 CD2 LEU A 15 19.137 -2.277 -6.457 1.00 0.00 C ATOM 0 H LEU A 15 17.416 -3.627 -5.399 1.00 0.00 H new ATOM 0 HA LEU A 15 18.774 -2.853 -3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.042 -1.295 -4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.955 -0.549 -3.697 1.00 0.00 H new ATOM 0 HG LEU A 15 19.055 -0.252 -5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 15 21.310 -1.233 -5.345 1.00 0.00 H new ATOM 0 HD12 LEU A 15 20.584 -0.533 -3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 15 20.602 -2.298 -4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 15 20.017 -2.139 -7.085 1.00 0.00 H new ATOM 0 HD22 LEU A 15 19.142 -3.285 -6.042 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.238 -2.136 -7.056 1.00 0.00 H new ATOM 39 N ASP A 16 16.863 -1.691 -1.527 1.00 0.00 N ATOM 40 CA ASP A 16 15.849 -1.589 -0.475 1.00 0.00 C ATOM 41 C ASP A 16 14.683 -0.675 -0.865 1.00 0.00 C ATOM 42 O ASP A 16 13.957 -0.201 0.003 1.00 0.00 O ATOM 43 CB ASP A 16 16.470 -1.153 0.856 1.00 0.00 C ATOM 44 CG ASP A 16 15.716 -1.674 2.084 1.00 0.00 C ATOM 45 OD1 ASP A 16 14.956 -2.666 1.971 1.00 0.00 O ATOM 46 OD2 ASP A 16 16.024 -1.196 3.197 1.00 0.00 O ATOM 0 H ASP A 16 17.678 -1.091 -1.398 1.00 0.00 H new ATOM 0 HA ASP A 16 15.434 -2.589 -0.347 1.00 0.00 H new ATOM 0 HB2 ASP A 16 17.502 -1.503 0.898 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.501 -0.064 0.894 1.00 0.00 H new ATOM 51 N SER A 17 14.488 -0.403 -2.161 1.00 0.00 N ATOM 52 CA SER A 17 13.406 0.418 -2.712 1.00 0.00 C ATOM 53 C SER A 17 12.036 -0.042 -2.196 1.00 0.00 C ATOM 54 O SER A 17 11.126 0.773 -2.059 1.00 0.00 O ATOM 55 CB SER A 17 13.472 0.340 -4.245 1.00 0.00 C ATOM 56 OG SER A 17 13.129 1.537 -4.919 1.00 0.00 O ATOM 0 H SER A 17 15.108 -0.766 -2.885 1.00 0.00 H new ATOM 0 HA SER A 17 13.533 1.451 -2.388 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.482 0.053 -4.536 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.805 -0.454 -4.583 1.00 0.00 H new ATOM 0 HG SER A 17 13.199 1.399 -5.887 1.00 0.00 H new ATOM 62 N TYR A 18 11.883 -1.332 -1.876 1.00 0.00 N ATOM 63 CA TYR A 18 10.647 -1.835 -1.301 1.00 0.00 C ATOM 64 C TYR A 18 10.312 -1.154 0.031 1.00 0.00 C ATOM 65 O TYR A 18 9.128 -1.022 0.327 1.00 0.00 O ATOM 66 CB TYR A 18 10.697 -3.350 -1.106 1.00 0.00 C ATOM 67 CG TYR A 18 10.598 -4.207 -2.355 1.00 0.00 C ATOM 68 CD1 TYR A 18 9.334 -4.596 -2.841 1.00 0.00 C ATOM 69 CD2 TYR A 18 11.760 -4.726 -2.954 1.00 0.00 C ATOM 70 CE1 TYR A 18 9.219 -5.567 -3.844 1.00 0.00 C ATOM 71 CE2 TYR A 18 11.660 -5.692 -3.972 1.00 0.00 C ATOM 72 CZ TYR A 18 10.386 -6.148 -4.382 1.00 0.00 C ATOM 73 OH TYR A 18 10.255 -7.165 -5.264 1.00 0.00 O ATOM 0 H TYR A 18 12.605 -2.041 -2.009 1.00 0.00 H new ATOM 0 HA TYR A 18 9.858 -1.597 -2.014 1.00 0.00 H new ATOM 0 HB2 TYR A 18 11.630 -3.596 -0.599 1.00 0.00 H new ATOM 0 HB3 TYR A 18 9.885 -3.633 -0.435 1.00 0.00 H new ATOM 0 HD1 TYR A 18 8.443 -4.140 -2.435 1.00 0.00 H new ATOM 0 HD2 TYR A 18 12.732 -4.382 -2.632 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.246 -5.868 -4.202 1.00 0.00 H new ATOM 0 HE2 TYR A 18 12.552 -6.083 -4.438 1.00 0.00 H new ATOM 0 HH TYR A 18 11.143 -7.465 -5.551 1.00 0.00 H new ATOM 83 N GLU A 19 11.276 -0.732 0.854 1.00 0.00 N ATOM 84 CA GLU A 19 10.938 -0.130 2.142 1.00 0.00 C ATOM 85 C GLU A 19 10.273 1.236 1.937 1.00 0.00 C ATOM 86 O GLU A 19 9.250 1.518 2.566 1.00 0.00 O ATOM 87 CB GLU A 19 12.162 -0.043 3.070 1.00 0.00 C ATOM 88 CG GLU A 19 11.703 -0.377 4.490 1.00 0.00 C ATOM 89 CD GLU A 19 12.642 0.108 5.589 1.00 0.00 C ATOM 90 OE1 GLU A 19 12.526 1.300 5.959 1.00 0.00 O ATOM 91 OE2 GLU A 19 13.315 -0.748 6.211 1.00 0.00 O ATOM 0 H GLU A 19 12.275 -0.795 0.656 1.00 0.00 H new ATOM 0 HA GLU A 19 10.219 -0.779 2.641 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.936 -0.739 2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.597 0.956 3.035 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.718 0.061 4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.590 -1.458 4.577 1.00 0.00 H new ATOM 98 N ALA A 20 10.812 2.027 1.002 1.00 0.00 N ATOM 99 CA ALA A 20 10.266 3.290 0.531 1.00 0.00 C ATOM 100 C ALA A 20 8.830 3.090 0.051 1.00 0.00 C ATOM 101 O ALA A 20 7.915 3.785 0.488 1.00 0.00 O ATOM 102 CB ALA A 20 11.176 3.862 -0.578 1.00 0.00 C ATOM 0 H ALA A 20 11.685 1.784 0.534 1.00 0.00 H new ATOM 0 HA ALA A 20 10.238 4.013 1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.767 4.809 -0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.177 4.025 -0.179 1.00 0.00 H new ATOM 0 HB3 ALA A 20 11.227 3.156 -1.407 1.00 0.00 H new ATOM 108 N ILE A 21 8.632 2.101 -0.817 1.00 0.00 N ATOM 109 CA ILE A 21 7.339 1.716 -1.367 1.00 0.00 C ATOM 110 C ILE A 21 6.358 1.362 -0.232 1.00 0.00 C ATOM 111 O ILE A 21 5.216 1.830 -0.251 1.00 0.00 O ATOM 112 CB ILE A 21 7.601 0.564 -2.361 1.00 0.00 C ATOM 113 CG1 ILE A 21 8.310 1.090 -3.636 1.00 0.00 C ATOM 114 CG2 ILE A 21 6.338 -0.204 -2.771 1.00 0.00 C ATOM 115 CD1 ILE A 21 8.934 -0.004 -4.511 1.00 0.00 C ATOM 0 H ILE A 21 9.397 1.526 -1.168 1.00 0.00 H new ATOM 0 HA ILE A 21 6.857 2.532 -1.906 1.00 0.00 H new ATOM 0 HB ILE A 21 8.243 -0.137 -1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.590 1.649 -4.233 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.091 1.791 -3.340 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.605 -0.997 -3.470 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.875 -0.641 -1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.636 0.479 -3.248 1.00 0.00 H new ATOM 0 HD11 ILE A 21 9.408 0.452 -5.380 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.681 -0.549 -3.934 1.00 0.00 H new ATOM 0 HD13 ILE A 21 8.157 -0.693 -4.841 1.00 0.00 H new ATOM 127 N LEU A 22 6.760 0.543 0.752 1.00 0.00 N ATOM 128 CA LEU A 22 5.893 0.132 1.866 1.00 0.00 C ATOM 129 C LEU A 22 5.443 1.331 2.691 1.00 0.00 C ATOM 130 O LEU A 22 4.340 1.303 3.245 1.00 0.00 O ATOM 131 CB LEU A 22 6.602 -0.866 2.810 1.00 0.00 C ATOM 132 CG LEU A 22 6.793 -2.284 2.254 1.00 0.00 C ATOM 133 CD1 LEU A 22 7.654 -3.149 3.180 1.00 0.00 C ATOM 134 CD2 LEU A 22 5.468 -2.994 1.965 1.00 0.00 C ATOM 0 H LEU A 22 7.699 0.146 0.797 1.00 0.00 H new ATOM 0 HA LEU A 22 5.028 -0.352 1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.581 -0.462 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.030 -0.932 3.736 1.00 0.00 H new ATOM 0 HG LEU A 22 7.315 -2.156 1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.764 -4.144 2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.637 -2.692 3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.174 -3.227 4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.668 -3.992 1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.890 -3.074 2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.902 -2.423 1.229 1.00 0.00 H new ATOM 146 N SER A 23 6.275 2.367 2.761 1.00 0.00 N ATOM 147 CA SER A 23 5.962 3.586 3.483 1.00 0.00 C ATOM 148 C SER A 23 4.858 4.387 2.784 1.00 0.00 C ATOM 149 O SER A 23 4.148 5.124 3.455 1.00 0.00 O ATOM 150 CB SER A 23 7.252 4.393 3.671 1.00 0.00 C ATOM 151 OG SER A 23 7.766 4.178 4.975 1.00 0.00 O ATOM 0 H SER A 23 7.191 2.379 2.313 1.00 0.00 H new ATOM 0 HA SER A 23 5.563 3.339 4.467 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.990 4.096 2.926 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.054 5.454 3.518 1.00 0.00 H new ATOM 0 HG SER A 23 8.591 4.694 5.091 1.00 0.00 H new ATOM 157 N GLY A 24 4.638 4.217 1.477 1.00 0.00 N ATOM 158 CA GLY A 24 3.513 4.855 0.808 1.00 0.00 C ATOM 159 C GLY A 24 2.192 4.296 1.334 1.00 0.00 C ATOM 160 O GLY A 24 1.317 5.032 1.781 1.00 0.00 O ATOM 0 H GLY A 24 5.224 3.645 0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.549 5.932 0.970 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.581 4.692 -0.268 1.00 0.00 H new ATOM 164 N ILE A 25 2.067 2.969 1.314 1.00 0.00 N ATOM 165 CA ILE A 25 0.831 2.264 1.651 1.00 0.00 C ATOM 166 C ILE A 25 0.440 2.522 3.106 1.00 0.00 C ATOM 167 O ILE A 25 -0.752 2.540 3.404 1.00 0.00 O ATOM 168 CB ILE A 25 1.012 0.757 1.382 1.00 0.00 C ATOM 169 CG1 ILE A 25 1.313 0.516 -0.111 1.00 0.00 C ATOM 170 CG2 ILE A 25 -0.238 -0.058 1.751 1.00 0.00 C ATOM 171 CD1 ILE A 25 1.779 -0.904 -0.441 1.00 0.00 C ATOM 0 H ILE A 25 2.833 2.345 1.060 1.00 0.00 H new ATOM 0 HA ILE A 25 0.021 2.638 1.025 1.00 0.00 H new ATOM 0 HB ILE A 25 1.842 0.428 2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.416 0.735 -0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.080 1.221 -0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.059 -1.113 1.543 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.456 0.071 2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.086 0.290 1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.968 -0.985 -1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.695 -1.123 0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.006 -1.617 -0.154 1.00 0.00 H new ATOM 183 N GLU A 26 1.423 2.709 3.990 1.00 0.00 N ATOM 184 CA GLU A 26 1.211 3.097 5.380 1.00 0.00 C ATOM 185 C GLU A 26 0.313 4.331 5.431 1.00 0.00 C ATOM 186 O GLU A 26 -0.772 4.285 6.019 1.00 0.00 O ATOM 187 CB GLU A 26 2.585 3.276 6.049 1.00 0.00 C ATOM 188 CG GLU A 26 2.560 3.818 7.485 1.00 0.00 C ATOM 189 CD GLU A 26 2.751 5.338 7.551 1.00 0.00 C ATOM 190 OE1 GLU A 26 3.897 5.789 7.307 1.00 0.00 O ATOM 191 OE2 GLU A 26 1.748 6.025 7.879 1.00 0.00 O ATOM 0 H GLU A 26 2.408 2.592 3.751 1.00 0.00 H new ATOM 0 HA GLU A 26 0.685 2.328 5.946 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.095 2.313 6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.182 3.951 5.436 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.610 3.555 7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.345 3.332 8.065 1.00 0.00 H new ATOM 198 N GLU A 27 0.723 5.396 4.742 1.00 0.00 N ATOM 199 CA GLU A 27 -0.025 6.645 4.784 1.00 0.00 C ATOM 200 C GLU A 27 -1.357 6.508 4.032 1.00 0.00 C ATOM 201 O GLU A 27 -2.325 7.193 4.387 1.00 0.00 O ATOM 202 CB GLU A 27 0.823 7.834 4.268 1.00 0.00 C ATOM 203 CG GLU A 27 1.688 8.416 5.401 1.00 0.00 C ATOM 204 CD GLU A 27 2.605 9.593 5.040 1.00 0.00 C ATOM 205 OE1 GLU A 27 2.659 10.054 3.874 1.00 0.00 O ATOM 206 OE2 GLU A 27 3.313 10.080 5.956 1.00 0.00 O ATOM 0 H GLU A 27 1.558 5.417 4.157 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.262 6.864 5.825 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.462 7.503 3.449 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.168 8.608 3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.024 8.737 6.204 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.308 7.614 5.801 1.00 0.00 H new ATOM 213 N THR A 28 -1.457 5.611 3.043 1.00 0.00 N ATOM 214 CA THR A 28 -2.703 5.381 2.329 1.00 0.00 C ATOM 215 C THR A 28 -3.712 4.636 3.214 1.00 0.00 C ATOM 216 O THR A 28 -4.883 5.009 3.234 1.00 0.00 O ATOM 217 CB THR A 28 -2.450 4.642 1.000 1.00 0.00 C ATOM 218 OG1 THR A 28 -1.351 5.180 0.300 1.00 0.00 O ATOM 219 CG2 THR A 28 -3.649 4.714 0.038 1.00 0.00 C ATOM 0 H THR A 28 -0.680 5.033 2.723 1.00 0.00 H new ATOM 0 HA THR A 28 -3.139 6.349 2.083 1.00 0.00 H new ATOM 0 HB THR A 28 -2.264 3.609 1.295 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.521 4.953 0.769 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.412 4.176 -0.880 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.521 4.261 0.509 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.864 5.756 -0.198 1.00 0.00 H new ATOM 227 N PHE A 29 -3.336 3.563 3.920 1.00 0.00 N ATOM 228 CA PHE A 29 -4.285 2.736 4.668 1.00 0.00 C ATOM 229 C PHE A 29 -4.972 3.584 5.746 1.00 0.00 C ATOM 230 O PHE A 29 -6.205 3.594 5.818 1.00 0.00 O ATOM 231 CB PHE A 29 -3.599 1.470 5.243 1.00 0.00 C ATOM 232 CG PHE A 29 -3.556 0.221 4.354 1.00 0.00 C ATOM 233 CD1 PHE A 29 -3.359 0.315 2.967 1.00 0.00 C ATOM 234 CD2 PHE A 29 -3.696 -1.066 4.914 1.00 0.00 C ATOM 235 CE1 PHE A 29 -3.340 -0.840 2.159 1.00 0.00 C ATOM 236 CE2 PHE A 29 -3.654 -2.225 4.111 1.00 0.00 C ATOM 237 CZ PHE A 29 -3.469 -2.125 2.720 1.00 0.00 C ATOM 0 H PHE A 29 -2.369 3.246 3.988 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.058 2.374 3.991 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.574 1.732 5.504 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.106 1.205 6.171 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.220 1.285 2.513 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.838 -1.166 5.980 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.224 -0.737 1.090 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.765 -3.197 4.568 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.427 -3.008 2.100 1.00 0.00 H new ATOM 247 N ALA A 30 -4.208 4.346 6.534 1.00 0.00 N ATOM 248 CA ALA A 30 -4.764 5.179 7.596 1.00 0.00 C ATOM 249 C ALA A 30 -5.756 6.232 7.079 1.00 0.00 C ATOM 250 O ALA A 30 -6.752 6.523 7.745 1.00 0.00 O ATOM 251 CB ALA A 30 -3.618 5.831 8.365 1.00 0.00 C ATOM 0 H ALA A 30 -3.193 4.401 6.452 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.341 4.536 8.261 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.023 6.456 9.161 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.984 5.057 8.798 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.028 6.446 7.686 1.00 0.00 H new ATOM 257 N GLN A 31 -5.549 6.769 5.874 1.00 0.00 N ATOM 258 CA GLN A 31 -6.443 7.730 5.230 1.00 0.00 C ATOM 259 C GLN A 31 -7.827 7.152 4.886 1.00 0.00 C ATOM 260 O GLN A 31 -8.731 7.900 4.532 1.00 0.00 O ATOM 261 CB GLN A 31 -5.735 8.256 3.974 1.00 0.00 C ATOM 262 CG GLN A 31 -5.091 9.626 4.258 1.00 0.00 C ATOM 263 CD GLN A 31 -4.208 10.203 3.148 1.00 0.00 C ATOM 264 OE1 GLN A 31 -4.543 11.191 2.490 1.00 0.00 O ATOM 265 NE2 GLN A 31 -3.027 9.642 2.942 1.00 0.00 N ATOM 0 H GLN A 31 -4.733 6.540 5.306 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.646 8.537 5.934 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.971 7.547 3.655 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.450 8.345 3.156 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.886 10.341 4.469 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.490 9.541 5.164 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.749 8.825 3.485 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.395 10.027 2.240 1.00 0.00 H new ATOM 274 N PHE A 32 -7.996 5.835 4.996 1.00 0.00 N ATOM 275 CA PHE A 32 -9.249 5.107 4.803 1.00 0.00 C ATOM 276 C PHE A 32 -9.667 4.353 6.075 1.00 0.00 C ATOM 277 O PHE A 32 -10.542 3.489 6.017 1.00 0.00 O ATOM 278 CB PHE A 32 -9.096 4.154 3.609 1.00 0.00 C ATOM 279 CG PHE A 32 -9.082 4.824 2.255 1.00 0.00 C ATOM 280 CD1 PHE A 32 -7.896 5.380 1.758 1.00 0.00 C ATOM 281 CD2 PHE A 32 -10.243 4.836 1.464 1.00 0.00 C ATOM 282 CE1 PHE A 32 -7.877 5.944 0.479 1.00 0.00 C ATOM 283 CE2 PHE A 32 -10.221 5.386 0.170 1.00 0.00 C ATOM 284 CZ PHE A 32 -9.033 5.951 -0.316 1.00 0.00 C ATOM 0 H PHE A 32 -7.222 5.215 5.235 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.045 5.820 4.591 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.170 3.591 3.729 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.913 3.433 3.632 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.000 5.373 2.361 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.160 4.419 1.853 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.964 6.378 0.099 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.110 5.373 -0.443 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.008 6.391 -1.302 1.00 0.00 H new ATOM 294 N SER A 33 -9.032 4.633 7.221 1.00 0.00 N ATOM 295 CA SER A 33 -9.300 3.969 8.501 1.00 0.00 C ATOM 296 C SER A 33 -8.873 2.487 8.472 1.00 0.00 C ATOM 297 O SER A 33 -9.340 1.676 9.282 1.00 0.00 O ATOM 298 CB SER A 33 -10.784 4.170 8.882 1.00 0.00 C ATOM 299 OG SER A 33 -11.053 4.142 10.277 1.00 0.00 O ATOM 0 H SER A 33 -8.302 5.343 7.284 1.00 0.00 H new ATOM 0 HA SER A 33 -8.693 4.427 9.282 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.121 5.126 8.481 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.377 3.394 8.397 1.00 0.00 H new ATOM 0 HG SER A 33 -12.012 4.278 10.428 1.00 0.00 H new ATOM 305 N ILE A 34 -8.021 2.089 7.521 1.00 0.00 N ATOM 306 CA ILE A 34 -7.639 0.697 7.336 1.00 0.00 C ATOM 307 C ILE A 34 -6.463 0.447 8.280 1.00 0.00 C ATOM 308 O ILE A 34 -5.532 1.259 8.321 1.00 0.00 O ATOM 309 CB ILE A 34 -7.283 0.395 5.863 1.00 0.00 C ATOM 310 CG1 ILE A 34 -8.434 0.821 4.929 1.00 0.00 C ATOM 311 CG2 ILE A 34 -6.982 -1.102 5.657 1.00 0.00 C ATOM 312 CD1 ILE A 34 -8.100 0.648 3.448 1.00 0.00 C ATOM 0 H ILE A 34 -7.580 2.729 6.860 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.466 0.027 7.570 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.388 0.967 5.618 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.322 0.235 5.166 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.681 1.865 5.120 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.735 -1.283 4.611 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.140 -1.393 6.284 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.858 -1.690 5.930 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.950 0.965 2.844 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.230 1.256 3.198 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.881 -0.400 3.244 1.00 0.00 H new ATOM 324 N PRO A 35 -6.454 -0.665 9.030 1.00 0.00 N ATOM 325 CA PRO A 35 -5.311 -1.039 9.830 1.00 0.00 C ATOM 326 C PRO A 35 -4.167 -1.394 8.902 1.00 0.00 C ATOM 327 O PRO A 35 -4.217 -2.403 8.192 1.00 0.00 O ATOM 328 CB PRO A 35 -5.744 -2.235 10.660 1.00 0.00 C ATOM 329 CG PRO A 35 -6.885 -2.864 9.865 1.00 0.00 C ATOM 330 CD PRO A 35 -7.489 -1.679 9.115 1.00 0.00 C ATOM 0 HA PRO A 35 -4.972 -0.235 10.483 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.923 -2.939 10.799 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.074 -1.930 11.653 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.523 -3.631 9.180 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -7.616 -3.340 10.519 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.819 -1.979 8.120 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.364 -1.295 9.639 1.00 0.00 H new ATOM 338 N TYR A 36 -3.126 -0.572 8.908 1.00 0.00 N ATOM 339 CA TYR A 36 -1.886 -0.973 8.295 1.00 0.00 C ATOM 340 C TYR A 36 -1.337 -2.189 9.048 1.00 0.00 C ATOM 341 O TYR A 36 -1.682 -2.470 10.211 1.00 0.00 O ATOM 342 CB TYR A 36 -0.927 0.217 8.264 1.00 0.00 C ATOM 343 CG TYR A 36 0.308 -0.041 7.436 1.00 0.00 C ATOM 344 CD1 TYR A 36 0.205 -0.179 6.039 1.00 0.00 C ATOM 345 CD2 TYR A 36 1.559 -0.142 8.064 1.00 0.00 C ATOM 346 CE1 TYR A 36 1.366 -0.371 5.271 1.00 0.00 C ATOM 347 CE2 TYR A 36 2.712 -0.387 7.306 1.00 0.00 C ATOM 348 CZ TYR A 36 2.625 -0.473 5.899 1.00 0.00 C ATOM 349 OH TYR A 36 3.746 -0.612 5.142 1.00 0.00 O ATOM 0 H TYR A 36 -3.122 0.359 9.325 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.030 -1.277 7.258 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.449 1.087 7.866 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.629 0.463 9.283 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.762 -0.138 5.560 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.633 -0.030 9.136 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.294 -0.441 4.196 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.666 -0.510 7.797 1.00 0.00 H new ATOM 0 HH TYR A 36 3.808 0.133 4.509 1.00 0.00 H new ATOM 359 N ASP A 37 -0.488 -2.935 8.354 1.00 0.00 N ATOM 360 CA ASP A 37 0.358 -3.962 8.920 1.00 0.00 C ATOM 361 C ASP A 37 1.518 -4.144 7.964 1.00 0.00 C ATOM 362 O ASP A 37 1.321 -4.618 6.843 1.00 0.00 O ATOM 363 CB ASP A 37 -0.379 -5.296 9.075 1.00 0.00 C ATOM 364 CG ASP A 37 0.349 -6.214 10.065 1.00 0.00 C ATOM 365 OD1 ASP A 37 1.574 -6.089 10.223 1.00 0.00 O ATOM 366 OD2 ASP A 37 -0.349 -7.034 10.698 1.00 0.00 O ATOM 0 H ASP A 37 -0.370 -2.833 7.346 1.00 0.00 H new ATOM 0 HA ASP A 37 0.682 -3.659 9.916 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.396 -5.115 9.422 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.455 -5.788 8.106 1.00 0.00 H new ATOM 371 N LYS A 38 2.722 -3.755 8.379 1.00 0.00 N ATOM 372 CA LYS A 38 3.917 -3.919 7.563 1.00 0.00 C ATOM 373 C LYS A 38 4.044 -5.358 7.054 1.00 0.00 C ATOM 374 O LYS A 38 4.404 -5.561 5.896 1.00 0.00 O ATOM 375 CB LYS A 38 5.132 -3.467 8.370 1.00 0.00 C ATOM 376 CG LYS A 38 6.410 -3.438 7.529 1.00 0.00 C ATOM 377 CD LYS A 38 6.438 -2.462 6.347 1.00 0.00 C ATOM 378 CE LYS A 38 6.293 -0.968 6.676 1.00 0.00 C ATOM 379 NZ LYS A 38 7.450 -0.362 7.361 1.00 0.00 N ATOM 0 H LYS A 38 2.893 -3.320 9.286 1.00 0.00 H new ATOM 0 HA LYS A 38 3.849 -3.294 6.673 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.945 -2.473 8.778 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.273 -4.138 9.217 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.245 -3.198 8.188 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.586 -4.443 7.144 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.378 -2.602 5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.638 -2.738 5.660 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.114 -0.424 5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.410 -0.834 7.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.259 0.644 7.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.613 -0.850 8.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.295 -0.453 6.761 1.00 0.00 H new ATOM 393 N GLU A 39 3.704 -6.344 7.891 1.00 0.00 N ATOM 394 CA GLU A 39 3.791 -7.759 7.558 1.00 0.00 C ATOM 395 C GLU A 39 2.780 -8.077 6.461 1.00 0.00 C ATOM 396 O GLU A 39 3.150 -8.522 5.379 1.00 0.00 O ATOM 397 CB GLU A 39 3.518 -8.613 8.807 1.00 0.00 C ATOM 398 CG GLU A 39 4.648 -8.537 9.842 1.00 0.00 C ATOM 399 CD GLU A 39 5.766 -9.527 9.522 1.00 0.00 C ATOM 400 OE1 GLU A 39 6.650 -9.178 8.701 1.00 0.00 O ATOM 401 OE2 GLU A 39 5.739 -10.642 10.094 1.00 0.00 O ATOM 0 H GLU A 39 3.355 -6.172 8.834 1.00 0.00 H new ATOM 0 HA GLU A 39 4.794 -7.990 7.199 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.587 -8.285 9.269 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.376 -9.651 8.507 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.053 -7.525 9.867 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.249 -8.746 10.835 1.00 0.00 H new ATOM 408 N LYS A 40 1.486 -7.864 6.719 1.00 0.00 N ATOM 409 CA LYS A 40 0.443 -8.296 5.792 1.00 0.00 C ATOM 410 C LYS A 40 0.535 -7.569 4.465 1.00 0.00 C ATOM 411 O LYS A 40 0.175 -8.145 3.444 1.00 0.00 O ATOM 412 CB LYS A 40 -0.949 -8.100 6.394 1.00 0.00 C ATOM 413 CG LYS A 40 -0.993 -8.700 7.801 1.00 0.00 C ATOM 414 CD LYS A 40 -2.397 -9.097 8.241 1.00 0.00 C ATOM 415 CE LYS A 40 -3.277 -7.892 8.599 1.00 0.00 C ATOM 416 NZ LYS A 40 -2.983 -7.348 9.945 1.00 0.00 N ATOM 0 H LYS A 40 1.140 -7.398 7.558 1.00 0.00 H new ATOM 0 HA LYS A 40 0.603 -9.359 5.612 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.192 -7.038 6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.699 -8.576 5.762 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.347 -9.577 7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.588 -7.978 8.510 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.875 -9.664 7.442 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.328 -9.758 9.105 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.132 -7.108 7.855 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.325 -8.186 8.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.274 -6.350 9.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.506 -7.892 10.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.963 -7.419 10.133 1.00 0.00 H new ATOM 430 N VAL A 41 0.967 -6.314 4.466 1.00 0.00 N ATOM 431 CA VAL A 41 1.141 -5.549 3.244 1.00 0.00 C ATOM 432 C VAL A 41 2.293 -6.160 2.444 1.00 0.00 C ATOM 433 O VAL A 41 2.081 -6.535 1.290 1.00 0.00 O ATOM 434 CB VAL A 41 1.301 -4.058 3.596 1.00 0.00 C ATOM 435 CG1 VAL A 41 1.761 -3.208 2.408 1.00 0.00 C ATOM 436 CG2 VAL A 41 -0.059 -3.520 4.080 1.00 0.00 C ATOM 0 H VAL A 41 1.206 -5.801 5.315 1.00 0.00 H new ATOM 0 HA VAL A 41 0.267 -5.599 2.595 1.00 0.00 H new ATOM 0 HB VAL A 41 2.068 -3.987 4.367 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.855 -2.168 2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.727 -3.570 2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.029 -3.281 1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.037 -2.464 4.334 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.799 -3.637 3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.378 -4.077 4.961 1.00 0.00 H new ATOM 446 N ARG A 42 3.494 -6.285 3.023 1.00 0.00 N ATOM 447 CA ARG A 42 4.652 -6.764 2.271 1.00 0.00 C ATOM 448 C ARG A 42 4.460 -8.209 1.813 1.00 0.00 C ATOM 449 O ARG A 42 4.730 -8.513 0.655 1.00 0.00 O ATOM 450 CB ARG A 42 5.946 -6.494 3.056 1.00 0.00 C ATOM 451 CG ARG A 42 6.247 -7.424 4.238 1.00 0.00 C ATOM 452 CD ARG A 42 7.179 -8.586 3.879 1.00 0.00 C ATOM 453 NE ARG A 42 8.427 -8.493 4.647 1.00 0.00 N ATOM 454 CZ ARG A 42 9.110 -9.532 5.132 1.00 0.00 C ATOM 455 NH1 ARG A 42 8.892 -10.764 4.689 1.00 0.00 N ATOM 456 NH2 ARG A 42 10.030 -9.344 6.066 1.00 0.00 N ATOM 0 H ARG A 42 3.685 -6.063 4.000 1.00 0.00 H new ATOM 0 HA ARG A 42 4.750 -6.199 1.344 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.783 -6.548 2.360 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.909 -5.471 3.430 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.698 -6.842 5.042 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.309 -7.826 4.622 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.685 -9.535 4.088 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.399 -8.569 2.811 1.00 0.00 H new ATOM 0 HE ARG A 42 8.801 -7.561 4.824 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.192 -10.929 3.965 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.424 -11.545 5.072 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.217 -8.404 6.416 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.551 -10.139 6.436 1.00 0.00 H new ATOM 470 N GLU A 43 3.941 -9.087 2.673 1.00 0.00 N ATOM 471 CA GLU A 43 3.593 -10.463 2.322 1.00 0.00 C ATOM 472 C GLU A 43 2.651 -10.459 1.117 1.00 0.00 C ATOM 473 O GLU A 43 2.863 -11.197 0.156 1.00 0.00 O ATOM 474 CB GLU A 43 2.944 -11.137 3.546 1.00 0.00 C ATOM 475 CG GLU A 43 2.377 -12.548 3.307 1.00 0.00 C ATOM 476 CD GLU A 43 3.407 -13.655 3.056 1.00 0.00 C ATOM 477 OE1 GLU A 43 4.633 -13.401 3.052 1.00 0.00 O ATOM 478 OE2 GLU A 43 2.986 -14.825 2.921 1.00 0.00 O ATOM 0 H GLU A 43 3.748 -8.857 3.648 1.00 0.00 H new ATOM 0 HA GLU A 43 4.484 -11.027 2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.686 -11.193 4.343 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.138 -10.497 3.905 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.777 -12.828 4.173 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.703 -12.506 2.452 1.00 0.00 H new ATOM 485 N PHE A 44 1.612 -9.619 1.155 1.00 0.00 N ATOM 486 CA PHE A 44 0.630 -9.558 0.094 1.00 0.00 C ATOM 487 C PHE A 44 1.263 -9.105 -1.223 1.00 0.00 C ATOM 488 O PHE A 44 1.071 -9.789 -2.226 1.00 0.00 O ATOM 489 CB PHE A 44 -0.556 -8.689 0.518 1.00 0.00 C ATOM 490 CG PHE A 44 -1.663 -8.663 -0.502 1.00 0.00 C ATOM 491 CD1 PHE A 44 -1.500 -7.914 -1.678 1.00 0.00 C ATOM 492 CD2 PHE A 44 -2.838 -9.411 -0.303 1.00 0.00 C ATOM 493 CE1 PHE A 44 -2.476 -7.973 -2.678 1.00 0.00 C ATOM 494 CE2 PHE A 44 -3.858 -9.383 -1.268 1.00 0.00 C ATOM 495 CZ PHE A 44 -3.677 -8.650 -2.454 1.00 0.00 C ATOM 0 H PHE A 44 1.438 -8.970 1.922 1.00 0.00 H new ATOM 0 HA PHE A 44 0.243 -10.560 -0.088 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.950 -9.060 1.464 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.208 -7.671 0.694 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.625 -7.295 -1.810 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.955 -10.006 0.591 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.300 -7.492 -3.629 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.778 -9.923 -1.100 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.466 -8.610 -3.191 1.00 0.00 H new ATOM 505 N ILE A 45 1.995 -7.985 -1.278 1.00 0.00 N ATOM 506 CA ILE A 45 2.556 -7.537 -2.560 1.00 0.00 C ATOM 507 C ILE A 45 3.539 -8.573 -3.125 1.00 0.00 C ATOM 508 O ILE A 45 3.545 -8.796 -4.334 1.00 0.00 O ATOM 509 CB ILE A 45 3.168 -6.119 -2.504 1.00 0.00 C ATOM 510 CG1 ILE A 45 4.509 -6.080 -1.745 1.00 0.00 C ATOM 511 CG2 ILE A 45 2.141 -5.105 -1.970 1.00 0.00 C ATOM 512 CD1 ILE A 45 5.106 -4.684 -1.576 1.00 0.00 C ATOM 0 H ILE A 45 2.208 -7.389 -0.478 1.00 0.00 H new ATOM 0 HA ILE A 45 1.718 -7.458 -3.253 1.00 0.00 H new ATOM 0 HB ILE A 45 3.414 -5.823 -3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.366 -6.521 -0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.228 -6.706 -2.273 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.592 -4.113 -1.938 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.271 -5.088 -2.627 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.832 -5.395 -0.966 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.047 -4.754 -1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.286 -4.244 -2.557 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.411 -4.056 -1.019 1.00 0.00 H new ATOM 524 N PHE A 46 4.304 -9.262 -2.268 1.00 0.00 N ATOM 525 CA PHE A 46 5.181 -10.353 -2.680 1.00 0.00 C ATOM 526 C PHE A 46 4.398 -11.530 -3.276 1.00 0.00 C ATOM 527 O PHE A 46 4.956 -12.298 -4.066 1.00 0.00 O ATOM 528 CB PHE A 46 5.993 -10.852 -1.471 1.00 0.00 C ATOM 529 CG PHE A 46 7.349 -10.204 -1.248 1.00 0.00 C ATOM 530 CD1 PHE A 46 8.347 -10.278 -2.239 1.00 0.00 C ATOM 531 CD2 PHE A 46 7.656 -9.611 -0.010 1.00 0.00 C ATOM 532 CE1 PHE A 46 9.639 -9.783 -1.986 1.00 0.00 C ATOM 533 CE2 PHE A 46 8.953 -9.138 0.254 1.00 0.00 C ATOM 534 CZ PHE A 46 9.948 -9.226 -0.734 1.00 0.00 C ATOM 0 H PHE A 46 4.328 -9.073 -1.266 1.00 0.00 H new ATOM 0 HA PHE A 46 5.844 -9.963 -3.452 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.393 -10.704 -0.573 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.143 -11.926 -1.581 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.119 -10.717 -3.199 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.889 -9.518 0.744 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.395 -9.831 -2.756 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.185 -8.707 1.217 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.946 -8.867 -0.532 1.00 0.00 H new ATOM 544 N LYS A 47 3.145 -11.741 -2.868 1.00 0.00 N ATOM 545 CA LYS A 47 2.306 -12.855 -3.308 1.00 0.00 C ATOM 546 C LYS A 47 1.479 -12.499 -4.537 1.00 0.00 C ATOM 547 O LYS A 47 1.302 -13.361 -5.401 1.00 0.00 O ATOM 548 CB LYS A 47 1.366 -13.254 -2.162 1.00 0.00 C ATOM 549 CG LYS A 47 2.056 -14.162 -1.143 1.00 0.00 C ATOM 550 CD LYS A 47 1.131 -14.557 0.013 1.00 0.00 C ATOM 551 CE LYS A 47 0.151 -15.658 -0.416 1.00 0.00 C ATOM 552 NZ LYS A 47 0.016 -16.736 0.586 1.00 0.00 N ATOM 0 H LYS A 47 2.674 -11.125 -2.205 1.00 0.00 H new ATOM 0 HA LYS A 47 2.961 -13.683 -3.579 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.004 -12.356 -1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.494 -13.765 -2.570 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.410 -15.063 -1.645 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.934 -13.654 -0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.727 -14.904 0.857 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.575 -13.683 0.353 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.828 -15.214 -0.598 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.487 -16.087 -1.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.658 -17.449 0.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.942 -17.182 0.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.332 -16.336 1.481 1.00 0.00 H new ATOM 566 N TYR A 48 0.926 -11.291 -4.604 1.00 0.00 N ATOM 567 CA TYR A 48 -0.054 -10.908 -5.611 1.00 0.00 C ATOM 568 C TYR A 48 0.510 -9.707 -6.356 1.00 0.00 C ATOM 569 O TYR A 48 1.209 -9.933 -7.341 1.00 0.00 O ATOM 570 CB TYR A 48 -1.430 -10.682 -4.955 1.00 0.00 C ATOM 571 CG TYR A 48 -1.902 -11.850 -4.104 1.00 0.00 C ATOM 572 CD1 TYR A 48 -2.542 -12.952 -4.698 1.00 0.00 C ATOM 573 CD2 TYR A 48 -1.646 -11.859 -2.719 1.00 0.00 C ATOM 574 CE1 TYR A 48 -2.904 -14.063 -3.917 1.00 0.00 C ATOM 575 CE2 TYR A 48 -2.020 -12.955 -1.926 1.00 0.00 C ATOM 576 CZ TYR A 48 -2.657 -14.062 -2.526 1.00 0.00 C ATOM 577 OH TYR A 48 -2.989 -15.143 -1.769 1.00 0.00 O ATOM 0 H TYR A 48 1.151 -10.541 -3.950 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.230 -11.695 -6.345 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.384 -9.787 -4.334 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.167 -10.491 -5.735 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.756 -12.945 -5.757 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.156 -11.012 -2.262 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.372 -14.919 -4.381 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.822 -12.951 -0.864 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.927 -15.955 -2.314 1.00 0.00 H new ATOM 587 N SER A 49 0.305 -8.484 -5.857 1.00 0.00 N ATOM 588 CA SER A 49 0.993 -7.268 -6.267 1.00 0.00 C ATOM 589 C SER A 49 0.391 -6.054 -5.552 1.00 0.00 C ATOM 590 O SER A 49 -0.596 -6.148 -4.819 1.00 0.00 O ATOM 591 CB SER A 49 0.967 -7.067 -7.798 1.00 0.00 C ATOM 592 OG SER A 49 2.280 -7.143 -8.312 1.00 0.00 O ATOM 0 H SER A 49 -0.380 -8.313 -5.121 1.00 0.00 H new ATOM 0 HA SER A 49 2.039 -7.372 -5.979 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.340 -7.827 -8.263 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.527 -6.099 -8.040 1.00 0.00 H new ATOM 0 HG SER A 49 2.259 -7.017 -9.284 1.00 0.00 H new ATOM 598 N VAL A 50 1.019 -4.903 -5.766 1.00 0.00 N ATOM 599 CA VAL A 50 0.584 -3.574 -5.374 1.00 0.00 C ATOM 600 C VAL A 50 -0.805 -3.177 -5.863 1.00 0.00 C ATOM 601 O VAL A 50 -1.607 -2.763 -5.016 1.00 0.00 O ATOM 602 CB VAL A 50 1.698 -2.596 -5.799 1.00 0.00 C ATOM 603 CG1 VAL A 50 1.230 -1.144 -5.852 1.00 0.00 C ATOM 604 CG2 VAL A 50 2.861 -2.708 -4.800 1.00 0.00 C ATOM 0 H VAL A 50 1.913 -4.877 -6.256 1.00 0.00 H new ATOM 0 HA VAL A 50 0.445 -3.548 -4.293 1.00 0.00 H new ATOM 0 HB VAL A 50 2.006 -2.872 -6.807 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.059 -0.505 -6.157 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.416 -1.050 -6.571 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.880 -0.838 -4.866 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.656 -2.021 -5.089 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.508 -2.454 -3.801 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.245 -3.728 -4.801 1.00 0.00 H new ATOM 614 N GLN A 51 -1.091 -3.216 -7.170 1.00 0.00 N ATOM 615 CA GLN A 51 -2.407 -2.797 -7.656 1.00 0.00 C ATOM 616 C GLN A 51 -3.471 -3.656 -6.960 1.00 0.00 C ATOM 617 O GLN A 51 -4.442 -3.115 -6.428 1.00 0.00 O ATOM 618 CB GLN A 51 -2.468 -2.891 -9.191 1.00 0.00 C ATOM 619 CG GLN A 51 -3.676 -2.205 -9.860 1.00 0.00 C ATOM 620 CD GLN A 51 -3.487 -0.712 -10.183 1.00 0.00 C ATOM 621 OE1 GLN A 51 -3.377 -0.325 -11.346 1.00 0.00 O ATOM 622 NE2 GLN A 51 -3.521 0.182 -9.208 1.00 0.00 N ATOM 0 H GLN A 51 -0.444 -3.526 -7.895 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.598 -1.752 -7.412 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.556 -2.456 -9.599 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.472 -3.944 -9.471 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.907 -2.734 -10.785 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.542 -2.312 -9.207 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.612 -0.123 -8.239 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.456 1.176 -9.425 1.00 0.00 H new ATOM 631 N ASP A 52 -3.214 -4.962 -6.862 1.00 0.00 N ATOM 632 CA ASP A 52 -4.150 -5.965 -6.360 1.00 0.00 C ATOM 633 C ASP A 52 -4.539 -5.674 -4.928 1.00 0.00 C ATOM 634 O ASP A 52 -5.706 -5.794 -4.571 1.00 0.00 O ATOM 635 CB ASP A 52 -3.553 -7.383 -6.443 1.00 0.00 C ATOM 636 CG ASP A 52 -4.201 -8.209 -7.550 1.00 0.00 C ATOM 637 OD1 ASP A 52 -4.077 -7.811 -8.733 1.00 0.00 O ATOM 638 OD2 ASP A 52 -4.820 -9.248 -7.239 1.00 0.00 O ATOM 0 H ASP A 52 -2.318 -5.362 -7.140 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.037 -5.918 -6.992 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.480 -7.315 -6.621 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.686 -7.889 -5.487 1.00 0.00 H new ATOM 643 N LEU A 53 -3.566 -5.271 -4.105 1.00 0.00 N ATOM 644 CA LEU A 53 -3.775 -5.071 -2.678 1.00 0.00 C ATOM 645 C LEU A 53 -4.879 -4.042 -2.483 1.00 0.00 C ATOM 646 O LEU A 53 -5.863 -4.312 -1.800 1.00 0.00 O ATOM 647 CB LEU A 53 -2.420 -4.708 -2.045 1.00 0.00 C ATOM 648 CG LEU A 53 -2.376 -4.456 -0.514 1.00 0.00 C ATOM 649 CD1 LEU A 53 -2.311 -2.962 -0.312 1.00 0.00 C ATOM 650 CD2 LEU A 53 -3.375 -5.266 0.309 1.00 0.00 C ATOM 0 H LEU A 53 -2.614 -5.076 -4.415 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.121 -5.969 -2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.719 -5.512 -2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.048 -3.812 -2.542 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.473 -4.876 -0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.278 -2.740 0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.415 -2.569 -0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.193 -2.497 -0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.263 -5.017 1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.389 -5.030 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.187 -6.330 0.165 1.00 0.00 H new ATOM 662 N LEU A 54 -4.752 -2.893 -3.143 1.00 0.00 N ATOM 663 CA LEU A 54 -5.698 -1.797 -3.002 1.00 0.00 C ATOM 664 C LEU A 54 -7.073 -2.217 -3.516 1.00 0.00 C ATOM 665 O LEU A 54 -8.064 -1.896 -2.864 1.00 0.00 O ATOM 666 CB LEU A 54 -5.221 -0.567 -3.802 1.00 0.00 C ATOM 667 CG LEU A 54 -3.760 -0.127 -3.595 1.00 0.00 C ATOM 668 CD1 LEU A 54 -3.296 0.836 -4.689 1.00 0.00 C ATOM 669 CD2 LEU A 54 -3.559 0.538 -2.240 1.00 0.00 C ATOM 0 H LEU A 54 -3.988 -2.699 -3.791 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.763 -1.540 -1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.366 -0.774 -4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.868 0.274 -3.550 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.162 -1.037 -3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.260 1.122 -4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.371 0.347 -5.660 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.925 1.726 -4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.516 0.834 -2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.196 1.420 -2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.821 -0.163 -1.448 1.00 0.00 H new ATOM 681 N VAL A 55 -7.137 -2.928 -4.654 1.00 0.00 N ATOM 682 CA VAL A 55 -8.397 -3.433 -5.202 1.00 0.00 C ATOM 683 C VAL A 55 -9.080 -4.288 -4.133 1.00 0.00 C ATOM 684 O VAL A 55 -10.219 -4.017 -3.759 1.00 0.00 O ATOM 685 CB VAL A 55 -8.193 -4.230 -6.517 1.00 0.00 C ATOM 686 CG1 VAL A 55 -9.522 -4.754 -7.077 1.00 0.00 C ATOM 687 CG2 VAL A 55 -7.594 -3.377 -7.639 1.00 0.00 C ATOM 0 H VAL A 55 -6.318 -3.165 -5.214 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.032 -2.587 -5.464 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.519 -5.040 -6.239 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.336 -5.307 -7.998 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.990 -5.414 -6.346 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.185 -3.915 -7.285 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.473 -3.986 -8.535 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.259 -2.541 -7.856 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.622 -2.995 -7.326 1.00 0.00 H new ATOM 697 N ARG A 56 -8.388 -5.306 -3.624 1.00 0.00 N ATOM 698 CA ARG A 56 -8.899 -6.312 -2.772 1.00 0.00 C ATOM 699 C ARG A 56 -9.413 -5.725 -1.474 1.00 0.00 C ATOM 700 O ARG A 56 -10.553 -5.998 -1.094 1.00 0.00 O ATOM 701 CB ARG A 56 -7.724 -7.278 -2.642 1.00 0.00 C ATOM 702 CG ARG A 56 -8.054 -8.295 -1.590 1.00 0.00 C ATOM 703 CD ARG A 56 -7.720 -9.698 -2.052 1.00 0.00 C ATOM 704 NE ARG A 56 -8.301 -10.668 -1.114 1.00 0.00 N ATOM 705 CZ ARG A 56 -7.967 -11.950 -0.966 1.00 0.00 C ATOM 706 NH1 ARG A 56 -7.026 -12.531 -1.706 1.00 0.00 N ATOM 707 NH2 ARG A 56 -8.610 -12.645 -0.044 1.00 0.00 N ATOM 0 H ARG A 56 -7.396 -5.434 -3.824 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.780 -6.831 -3.150 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.531 -7.769 -3.596 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.817 -6.736 -2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.501 -8.070 -0.678 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.114 -8.234 -1.343 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.111 -9.866 -3.056 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.639 -9.828 -2.105 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.044 -10.321 -0.507 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.531 -11.992 -2.417 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.799 -13.515 -1.562 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.331 -12.197 0.522 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.385 -13.629 0.102 1.00 0.00 H new ATOM 721 N VAL A 57 -8.585 -4.950 -0.771 1.00 0.00 N ATOM 722 CA VAL A 57 -9.045 -4.350 0.475 1.00 0.00 C ATOM 723 C VAL A 57 -10.282 -3.496 0.198 1.00 0.00 C ATOM 724 O VAL A 57 -11.217 -3.588 0.984 1.00 0.00 O ATOM 725 CB VAL A 57 -7.949 -3.495 1.150 1.00 0.00 C ATOM 726 CG1 VAL A 57 -8.311 -3.104 2.587 1.00 0.00 C ATOM 727 CG2 VAL A 57 -6.538 -4.094 1.162 1.00 0.00 C ATOM 0 H VAL A 57 -7.624 -4.730 -1.034 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.293 -5.156 1.165 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.917 -2.618 0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.507 -2.504 3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.234 -2.525 2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.449 -4.005 3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.855 -3.406 1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.551 -5.044 1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.204 -4.258 0.138 1.00 0.00 H new ATOM 737 N ALA A 58 -10.319 -2.715 -0.893 1.00 0.00 N ATOM 738 CA ALA A 58 -11.478 -1.883 -1.204 1.00 0.00 C ATOM 739 C ALA A 58 -12.735 -2.704 -1.440 1.00 0.00 C ATOM 740 O ALA A 58 -13.776 -2.348 -0.889 1.00 0.00 O ATOM 741 CB ALA A 58 -11.211 -1.011 -2.428 1.00 0.00 C ATOM 0 H ALA A 58 -9.559 -2.647 -1.569 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.644 -1.251 -0.331 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.089 -0.401 -2.639 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.357 -0.362 -2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.996 -1.646 -3.287 1.00 0.00 H new ATOM 747 N GLU A 59 -12.615 -3.767 -2.235 1.00 0.00 N ATOM 748 CA GLU A 59 -13.702 -4.647 -2.630 1.00 0.00 C ATOM 749 C GLU A 59 -14.346 -5.240 -1.372 1.00 0.00 C ATOM 750 O GLU A 59 -15.573 -5.309 -1.274 1.00 0.00 O ATOM 751 CB GLU A 59 -13.151 -5.739 -3.570 1.00 0.00 C ATOM 752 CG GLU A 59 -14.238 -6.460 -4.383 1.00 0.00 C ATOM 753 CD GLU A 59 -13.778 -7.841 -4.870 1.00 0.00 C ATOM 754 OE1 GLU A 59 -12.921 -7.947 -5.778 1.00 0.00 O ATOM 755 OE2 GLU A 59 -14.224 -8.863 -4.284 1.00 0.00 O ATOM 0 H GLU A 59 -11.719 -4.045 -2.635 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.471 -4.098 -3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.435 -5.287 -4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.605 -6.474 -2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.133 -6.572 -3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.514 -5.847 -5.241 1.00 0.00 H new ATOM 762 N ASP A 60 -13.517 -5.642 -0.400 1.00 0.00 N ATOM 763 CA ASP A 60 -13.945 -6.283 0.845 1.00 0.00 C ATOM 764 C ASP A 60 -14.329 -5.282 1.945 1.00 0.00 C ATOM 765 O ASP A 60 -14.964 -5.642 2.941 1.00 0.00 O ATOM 766 CB ASP A 60 -12.826 -7.187 1.379 1.00 0.00 C ATOM 767 CG ASP A 60 -13.384 -8.515 1.905 1.00 0.00 C ATOM 768 OD1 ASP A 60 -14.522 -8.563 2.437 1.00 0.00 O ATOM 769 OD2 ASP A 60 -12.687 -9.549 1.830 1.00 0.00 O ATOM 0 H ASP A 60 -12.505 -5.527 -0.462 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.836 -6.861 0.598 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.104 -7.382 0.586 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.291 -6.673 2.178 1.00 0.00 H new ATOM 774 N ARG A 61 -13.898 -4.029 1.811 1.00 0.00 N ATOM 775 CA ARG A 61 -14.373 -2.845 2.537 1.00 0.00 C ATOM 776 C ARG A 61 -15.569 -2.284 1.751 1.00 0.00 C ATOM 777 O ARG A 61 -16.207 -2.995 0.979 1.00 0.00 O ATOM 778 CB ARG A 61 -13.237 -1.808 2.713 1.00 0.00 C ATOM 779 CG ARG A 61 -12.045 -2.264 3.568 1.00 0.00 C ATOM 780 CD ARG A 61 -12.188 -2.038 5.078 1.00 0.00 C ATOM 781 NE ARG A 61 -11.282 -2.935 5.819 1.00 0.00 N ATOM 782 CZ ARG A 61 -10.660 -2.717 6.983 1.00 0.00 C ATOM 783 NH1 ARG A 61 -10.685 -1.547 7.605 1.00 0.00 N ATOM 784 NH2 ARG A 61 -9.985 -3.695 7.563 1.00 0.00 N ATOM 0 H ARG A 61 -13.158 -3.795 1.149 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.689 -3.103 3.548 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.867 -1.530 1.726 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.658 -0.908 3.160 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.880 -3.327 3.392 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.153 -1.741 3.223 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.961 -1.000 5.320 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.219 -2.218 5.383 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.106 -3.842 5.387 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.195 -0.763 7.197 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.195 -1.430 8.492 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.939 -4.614 7.123 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.510 -3.530 8.451 1.00 0.00 H new ATOM 798 N ASN A 62 -15.951 -1.035 2.026 1.00 0.00 N ATOM 799 CA ASN A 62 -17.008 -0.322 1.303 1.00 0.00 C ATOM 800 C ASN A 62 -16.443 0.685 0.294 1.00 0.00 C ATOM 801 O ASN A 62 -17.089 1.693 0.001 1.00 0.00 O ATOM 802 CB ASN A 62 -17.915 0.390 2.318 1.00 0.00 C ATOM 803 CG ASN A 62 -19.327 0.545 1.763 1.00 0.00 C ATOM 804 OD1 ASN A 62 -19.923 -0.438 1.340 1.00 0.00 O ATOM 805 ND2 ASN A 62 -19.896 1.736 1.729 1.00 0.00 N ATOM 0 H ASN A 62 -15.528 -0.481 2.770 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.583 -1.051 0.732 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.945 -0.178 3.248 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.503 1.371 2.556 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.837 1.841 1.349 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.395 2.551 2.083 1.00 0.00 H new ATOM 812 N LEU A 63 -15.190 0.519 -0.120 1.00 0.00 N ATOM 813 CA LEU A 63 -14.370 1.571 -0.746 1.00 0.00 C ATOM 814 C LEU A 63 -14.364 1.458 -2.277 1.00 0.00 C ATOM 815 O LEU A 63 -15.038 0.589 -2.830 1.00 0.00 O ATOM 816 CB LEU A 63 -12.948 1.548 -0.161 1.00 0.00 C ATOM 817 CG LEU A 63 -12.890 1.630 1.376 1.00 0.00 C ATOM 818 CD1 LEU A 63 -11.453 1.401 1.856 1.00 0.00 C ATOM 819 CD2 LEU A 63 -13.475 2.954 1.881 1.00 0.00 C ATOM 0 H LEU A 63 -14.698 -0.370 -0.031 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.818 2.537 -0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.451 0.633 -0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.383 2.381 -0.579 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.510 0.840 1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.419 1.460 2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.115 0.415 1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.801 2.164 1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.421 2.984 2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.905 3.785 1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.516 3.035 1.567 1.00 0.00 H new ATOM 831 N ASP A 64 -13.617 2.329 -2.972 1.00 0.00 N ATOM 832 CA ASP A 64 -13.374 2.228 -4.416 1.00 0.00 C ATOM 833 C ASP A 64 -11.882 2.386 -4.683 1.00 0.00 C ATOM 834 O ASP A 64 -11.202 3.190 -4.033 1.00 0.00 O ATOM 835 CB ASP A 64 -14.147 3.286 -5.219 1.00 0.00 C ATOM 836 CG ASP A 64 -14.428 2.822 -6.655 1.00 0.00 C ATOM 837 OD1 ASP A 64 -13.550 2.179 -7.268 1.00 0.00 O ATOM 838 OD2 ASP A 64 -15.520 3.125 -7.182 1.00 0.00 O ATOM 0 H ASP A 64 -13.160 3.132 -2.540 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.727 1.249 -4.741 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -15.090 3.505 -4.717 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.575 4.214 -5.243 1.00 0.00 H new ATOM 843 N VAL A 65 -11.380 1.642 -5.662 1.00 0.00 N ATOM 844 CA VAL A 65 -10.017 1.693 -6.145 1.00 0.00 C ATOM 845 C VAL A 65 -9.682 3.063 -6.740 1.00 0.00 C ATOM 846 O VAL A 65 -8.543 3.513 -6.591 1.00 0.00 O ATOM 847 CB VAL A 65 -9.774 0.505 -7.092 1.00 0.00 C ATOM 848 CG1 VAL A 65 -10.678 0.561 -8.319 1.00 0.00 C ATOM 849 CG2 VAL A 65 -8.321 0.438 -7.567 1.00 0.00 C ATOM 0 H VAL A 65 -11.945 0.955 -6.161 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.318 1.585 -5.316 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.006 -0.387 -6.510 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.474 -0.296 -8.961 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.721 0.538 -8.004 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.486 1.481 -8.871 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.195 -0.416 -8.233 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.070 1.355 -8.100 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.662 0.327 -6.706 1.00 0.00 H new ATOM 859 N GLU A 66 -10.629 3.766 -7.370 1.00 0.00 N ATOM 860 CA GLU A 66 -10.312 5.078 -7.941 1.00 0.00 C ATOM 861 C GLU A 66 -9.984 6.090 -6.844 1.00 0.00 C ATOM 862 O GLU A 66 -9.086 6.919 -7.004 1.00 0.00 O ATOM 863 CB GLU A 66 -11.382 5.619 -8.892 1.00 0.00 C ATOM 864 CG GLU A 66 -12.796 5.511 -8.344 1.00 0.00 C ATOM 865 CD GLU A 66 -13.803 6.167 -9.286 1.00 0.00 C ATOM 866 OE1 GLU A 66 -13.951 5.701 -10.440 1.00 0.00 O ATOM 867 OE2 GLU A 66 -14.438 7.170 -8.896 1.00 0.00 O ATOM 0 H GLU A 66 -11.594 3.460 -7.495 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.425 4.925 -8.556 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.166 6.664 -9.112 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.325 5.077 -9.836 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.055 4.462 -8.203 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.847 5.986 -7.364 1.00 0.00 H new ATOM 874 N VAL A 67 -10.671 6.011 -5.701 1.00 0.00 N ATOM 875 CA VAL A 67 -10.380 6.910 -4.589 1.00 0.00 C ATOM 876 C VAL A 67 -9.002 6.575 -4.012 1.00 0.00 C ATOM 877 O VAL A 67 -8.237 7.475 -3.653 1.00 0.00 O ATOM 878 CB VAL A 67 -11.530 6.896 -3.558 1.00 0.00 C ATOM 879 CG1 VAL A 67 -11.360 8.016 -2.522 1.00 0.00 C ATOM 880 CG2 VAL A 67 -12.893 7.116 -4.243 1.00 0.00 C ATOM 0 H VAL A 67 -11.421 5.343 -5.526 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.326 7.942 -4.934 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.498 5.920 -3.074 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.184 7.981 -1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.417 7.882 -1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.358 8.982 -3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -13.684 7.101 -3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.893 8.080 -4.752 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -13.067 6.322 -4.970 1.00 0.00 H new ATOM 890 N LEU A 68 -8.652 5.289 -3.968 1.00 0.00 N ATOM 891 CA LEU A 68 -7.362 4.833 -3.468 1.00 0.00 C ATOM 892 C LEU A 68 -6.222 5.291 -4.351 1.00 0.00 C ATOM 893 O LEU A 68 -5.188 5.664 -3.811 1.00 0.00 O ATOM 894 CB LEU A 68 -7.344 3.308 -3.355 1.00 0.00 C ATOM 895 CG LEU A 68 -8.179 2.891 -2.142 1.00 0.00 C ATOM 896 CD1 LEU A 68 -8.688 1.476 -2.289 1.00 0.00 C ATOM 897 CD2 LEU A 68 -7.361 2.946 -0.856 1.00 0.00 C ATOM 0 H LEU A 68 -9.261 4.533 -4.281 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.223 5.274 -2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.747 2.858 -4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.320 2.950 -3.249 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.011 3.593 -2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.278 1.208 -1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.311 1.404 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.843 0.793 -2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.985 2.644 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.509 2.271 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.003 3.963 -0.695 1.00 0.00 H new ATOM 909 N ASN A 69 -6.382 5.266 -5.676 1.00 0.00 N ATOM 910 CA ASN A 69 -5.325 5.667 -6.609 1.00 0.00 C ATOM 911 C ASN A 69 -4.944 7.132 -6.388 1.00 0.00 C ATOM 912 O ASN A 69 -3.764 7.480 -6.467 1.00 0.00 O ATOM 913 CB ASN A 69 -5.739 5.412 -8.065 1.00 0.00 C ATOM 914 CG ASN A 69 -5.402 3.989 -8.493 1.00 0.00 C ATOM 915 OD1 ASN A 69 -4.330 3.712 -9.029 1.00 0.00 O ATOM 916 ND2 ASN A 69 -6.280 3.041 -8.231 1.00 0.00 N ATOM 0 H ASN A 69 -7.245 4.968 -6.132 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.446 5.053 -6.411 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.809 5.584 -8.177 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.232 6.121 -8.719 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.072 2.072 -8.473 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.167 3.276 -7.786 1.00 0.00 H new ATOM 923 N GLN A 70 -5.916 7.977 -6.042 1.00 0.00 N ATOM 924 CA GLN A 70 -5.676 9.365 -5.671 1.00 0.00 C ATOM 925 C GLN A 70 -4.851 9.448 -4.376 1.00 0.00 C ATOM 926 O GLN A 70 -3.822 10.130 -4.360 1.00 0.00 O ATOM 927 CB GLN A 70 -7.009 10.134 -5.603 1.00 0.00 C ATOM 928 CG GLN A 70 -7.363 10.853 -6.919 1.00 0.00 C ATOM 929 CD GLN A 70 -7.531 9.929 -8.126 1.00 0.00 C ATOM 930 OE1 GLN A 70 -6.561 9.415 -8.675 1.00 0.00 O ATOM 931 NE2 GLN A 70 -8.732 9.764 -8.655 1.00 0.00 N ATOM 0 H GLN A 70 -6.900 7.711 -6.012 1.00 0.00 H new ATOM 0 HA GLN A 70 -5.075 9.851 -6.440 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.809 9.439 -5.350 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.957 10.867 -4.798 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.288 11.412 -6.775 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.582 11.581 -7.141 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.548 10.185 -8.210 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.843 9.216 -9.508 1.00 0.00 H new ATOM 940 N VAL A 71 -5.222 8.741 -3.297 1.00 0.00 N ATOM 941 CA VAL A 71 -4.420 8.782 -2.071 1.00 0.00 C ATOM 942 C VAL A 71 -3.031 8.170 -2.314 1.00 0.00 C ATOM 943 O VAL A 71 -2.034 8.664 -1.798 1.00 0.00 O ATOM 944 CB VAL A 71 -5.166 8.133 -0.895 1.00 0.00 C ATOM 945 CG1 VAL A 71 -4.356 8.241 0.391 1.00 0.00 C ATOM 946 CG2 VAL A 71 -6.498 8.832 -0.601 1.00 0.00 C ATOM 0 H VAL A 71 -6.051 8.149 -3.250 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.262 9.823 -1.790 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.328 7.096 -1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.906 7.774 1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.399 7.735 0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.182 9.291 0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.990 8.339 0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.313 9.877 -0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.139 8.778 -1.481 1.00 0.00 H new ATOM 956 N ARG A 72 -2.915 7.163 -3.178 1.00 0.00 N ATOM 957 CA ARG A 72 -1.645 6.536 -3.530 1.00 0.00 C ATOM 958 C ARG A 72 -0.659 7.482 -4.214 1.00 0.00 C ATOM 959 O ARG A 72 0.478 7.070 -4.437 1.00 0.00 O ATOM 960 CB ARG A 72 -1.918 5.317 -4.425 1.00 0.00 C ATOM 961 CG ARG A 72 -1.636 3.985 -3.725 1.00 0.00 C ATOM 962 CD ARG A 72 -0.246 3.421 -4.064 1.00 0.00 C ATOM 963 NE ARG A 72 -0.229 2.381 -5.105 1.00 0.00 N ATOM 964 CZ ARG A 72 -0.533 2.442 -6.407 1.00 0.00 C ATOM 965 NH1 ARG A 72 -0.737 3.595 -7.028 1.00 0.00 N ATOM 966 NH2 ARG A 72 -0.649 1.315 -7.097 1.00 0.00 N ATOM 0 H ARG A 72 -3.715 6.754 -3.660 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.169 6.234 -2.597 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.958 5.337 -4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.303 5.387 -5.322 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.715 4.122 -2.647 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.398 3.260 -4.011 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.394 4.243 -4.384 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.193 3.010 -3.155 1.00 0.00 H new ATOM 0 HE ARG A 72 0.063 1.459 -4.780 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.664 4.472 -6.512 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.967 3.605 -8.022 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.507 0.417 -6.635 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.880 1.346 -8.090 1.00 0.00 H new ATOM 980 N ALA A 73 -1.045 8.707 -4.565 1.00 0.00 N ATOM 981 CA ALA A 73 -0.123 9.715 -5.071 1.00 0.00 C ATOM 982 C ALA A 73 0.401 10.637 -3.958 1.00 0.00 C ATOM 983 O ALA A 73 1.449 11.267 -4.113 1.00 0.00 O ATOM 984 CB ALA A 73 -0.854 10.502 -6.152 1.00 0.00 C ATOM 0 H ALA A 73 -2.012 9.027 -4.505 1.00 0.00 H new ATOM 0 HA ALA A 73 0.760 9.229 -5.485 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.192 11.268 -6.555 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.156 9.826 -6.952 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.737 10.975 -5.723 1.00 0.00 H new ATOM 990 N GLN A 74 -0.292 10.714 -2.819 1.00 0.00 N ATOM 991 CA GLN A 74 0.004 11.592 -1.714 1.00 0.00 C ATOM 992 C GLN A 74 0.392 10.742 -0.501 1.00 0.00 C ATOM 993 O GLN A 74 -0.414 10.466 0.390 1.00 0.00 O ATOM 994 CB GLN A 74 -1.166 12.573 -1.533 1.00 0.00 C ATOM 995 CG GLN A 74 -2.484 11.981 -1.031 1.00 0.00 C ATOM 996 CD GLN A 74 -3.688 12.795 -1.472 1.00 0.00 C ATOM 997 OE1 GLN A 74 -4.083 13.766 -0.831 1.00 0.00 O ATOM 998 NE2 GLN A 74 -4.301 12.419 -2.579 1.00 0.00 N ATOM 0 H GLN A 74 -1.112 10.132 -2.647 1.00 0.00 H new ATOM 0 HA GLN A 74 0.870 12.231 -1.888 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.854 13.350 -0.836 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.354 13.060 -2.490 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.584 10.960 -1.399 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.464 11.927 0.057 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.962 11.611 -3.101 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.114 12.937 -2.913 1.00 0.00 H new ATOM 1007 N SER A 75 1.654 10.311 -0.493 1.00 0.00 N ATOM 1008 CA SER A 75 2.344 9.866 0.695 1.00 0.00 C ATOM 1009 C SER A 75 3.692 10.564 0.742 1.00 0.00 C ATOM 1010 O SER A 75 4.590 10.251 -0.043 1.00 0.00 O ATOM 1011 CB SER A 75 2.535 8.352 0.686 1.00 0.00 C ATOM 1012 OG SER A 75 1.391 7.641 0.279 1.00 0.00 O ATOM 0 H SER A 75 2.228 10.265 -1.335 1.00 0.00 H new ATOM 0 HA SER A 75 1.753 10.114 1.577 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.362 8.103 0.022 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.819 8.024 1.686 1.00 0.00 H new ATOM 0 HG SER A 75 1.341 6.794 0.769 1.00 0.00 H new ATOM 1018 N LEU A 76 3.862 11.532 1.631 1.00 0.00 N ATOM 1019 CA LEU A 76 5.164 12.097 1.915 1.00 0.00 C ATOM 1020 C LEU A 76 6.093 11.034 2.484 1.00 0.00 C ATOM 1021 O LEU A 76 7.298 11.164 2.294 1.00 0.00 O ATOM 1022 CB LEU A 76 5.032 13.288 2.880 1.00 0.00 C ATOM 1023 CG LEU A 76 4.657 14.590 2.167 1.00 0.00 C ATOM 1024 CD1 LEU A 76 4.209 15.648 3.181 1.00 0.00 C ATOM 1025 CD2 LEU A 76 5.836 15.151 1.354 1.00 0.00 C ATOM 0 H LEU A 76 3.101 11.944 2.172 1.00 0.00 H new ATOM 0 HA LEU A 76 5.598 12.461 0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.276 13.059 3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.975 13.427 3.409 1.00 0.00 H new ATOM 0 HG LEU A 76 3.839 14.357 1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.946 16.567 2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.341 15.282 3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.021 15.849 3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.532 16.075 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.674 15.354 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.139 14.422 0.602 1.00 0.00 H new ATOM 1037 N ALA A 77 5.578 9.972 3.102 1.00 0.00 N ATOM 1038 CA ALA A 77 6.388 8.898 3.648 1.00 0.00 C ATOM 1039 C ALA A 77 7.310 8.279 2.593 1.00 0.00 C ATOM 1040 O ALA A 77 8.516 8.187 2.830 1.00 0.00 O ATOM 1041 CB ALA A 77 5.450 7.844 4.230 1.00 0.00 C ATOM 0 H ALA A 77 4.576 9.837 3.236 1.00 0.00 H new ATOM 0 HA ALA A 77 7.037 9.302 4.425 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.037 7.025 4.647 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.842 8.292 5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.800 7.461 3.443 1.00 0.00 H new ATOM 1047 N GLU A 78 6.783 7.854 1.437 1.00 0.00 N ATOM 1048 CA GLU A 78 7.611 7.250 0.387 1.00 0.00 C ATOM 1049 C GLU A 78 8.511 8.298 -0.271 1.00 0.00 C ATOM 1050 O GLU A 78 9.598 7.969 -0.745 1.00 0.00 O ATOM 1051 CB GLU A 78 6.758 6.519 -0.662 1.00 0.00 C ATOM 1052 CG GLU A 78 5.869 7.459 -1.479 1.00 0.00 C ATOM 1053 CD GLU A 78 4.989 6.756 -2.518 1.00 0.00 C ATOM 1054 OE1 GLU A 78 4.974 5.507 -2.608 1.00 0.00 O ATOM 1055 OE2 GLU A 78 4.233 7.472 -3.214 1.00 0.00 O ATOM 0 H GLU A 78 5.791 7.917 1.207 1.00 0.00 H new ATOM 0 HA GLU A 78 8.248 6.505 0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.415 5.972 -1.338 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.131 5.781 -0.161 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.228 8.017 -0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.502 8.186 -1.989 1.00 0.00 H new ATOM 1062 N LYS A 79 8.073 9.562 -0.296 1.00 0.00 N ATOM 1063 CA LYS A 79 8.818 10.677 -0.861 1.00 0.00 C ATOM 1064 C LYS A 79 9.943 11.141 0.076 1.00 0.00 C ATOM 1065 O LYS A 79 10.820 11.888 -0.364 1.00 0.00 O ATOM 1066 CB LYS A 79 7.819 11.803 -1.183 1.00 0.00 C ATOM 1067 CG LYS A 79 6.812 11.379 -2.272 1.00 0.00 C ATOM 1068 CD LYS A 79 5.871 12.506 -2.723 1.00 0.00 C ATOM 1069 CE LYS A 79 4.497 12.485 -2.038 1.00 0.00 C ATOM 1070 NZ LYS A 79 3.615 13.571 -2.521 1.00 0.00 N ATOM 0 H LYS A 79 7.169 9.837 0.087 1.00 0.00 H new ATOM 0 HA LYS A 79 9.316 10.366 -1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.280 12.081 -0.277 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.362 12.688 -1.515 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.362 11.010 -3.138 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.214 10.548 -1.897 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.349 13.465 -2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.729 12.437 -3.801 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.018 11.523 -2.218 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.629 12.579 -0.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.699 13.518 -2.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.059 14.491 -2.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.467 13.468 -3.545 1.00 0.00 H new ATOM 1084 N ASN A 80 9.931 10.730 1.346 1.00 0.00 N ATOM 1085 CA ASN A 80 10.942 11.038 2.356 1.00 0.00 C ATOM 1086 C ASN A 80 11.910 9.870 2.539 1.00 0.00 C ATOM 1087 O ASN A 80 13.090 10.098 2.809 1.00 0.00 O ATOM 1088 CB ASN A 80 10.257 11.395 3.686 1.00 0.00 C ATOM 1089 CG ASN A 80 9.953 12.885 3.759 1.00 0.00 C ATOM 1090 OD1 ASN A 80 10.838 13.707 3.992 1.00 0.00 O ATOM 1091 ND2 ASN A 80 8.718 13.271 3.491 1.00 0.00 N ATOM 0 H ASN A 80 9.180 10.146 1.714 1.00 0.00 H new ATOM 0 HA ASN A 80 11.523 11.896 2.017 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.333 10.826 3.788 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.900 11.110 4.519 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.486 14.264 3.475 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.996 12.576 3.300 1.00 0.00 H new ATOM 1098 N ALA A 81 11.431 8.638 2.358 1.00 0.00 N ATOM 1099 CA ALA A 81 12.254 7.444 2.221 1.00 0.00 C ATOM 1100 C ALA A 81 13.118 7.513 0.955 1.00 0.00 C ATOM 1101 O ALA A 81 12.969 8.433 0.142 1.00 0.00 O ATOM 1102 CB ALA A 81 11.316 6.243 2.156 1.00 0.00 C ATOM 0 H ALA A 81 10.432 8.442 2.302 1.00 0.00 H new ATOM 0 HA ALA A 81 12.931 7.359 3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.901 5.329 2.053 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.724 6.194 3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.651 6.347 1.298 1.00 0.00 H new ATOM 1108 N GLN A 82 14.005 6.534 0.747 1.00 0.00 N ATOM 1109 CA GLN A 82 14.834 6.473 -0.455 1.00 0.00 C ATOM 1110 C GLN A 82 15.289 5.052 -0.776 1.00 0.00 C ATOM 1111 O GLN A 82 14.966 4.104 -0.069 1.00 0.00 O ATOM 1112 CB GLN A 82 16.014 7.435 -0.332 1.00 0.00 C ATOM 1113 CG GLN A 82 17.039 7.041 0.725 1.00 0.00 C ATOM 1114 CD GLN A 82 17.817 8.289 1.110 1.00 0.00 C ATOM 1115 OE1 GLN A 82 18.544 8.863 0.299 1.00 0.00 O ATOM 1116 NE2 GLN A 82 17.556 8.807 2.294 1.00 0.00 N ATOM 0 H GLN A 82 14.166 5.769 1.403 1.00 0.00 H new ATOM 0 HA GLN A 82 14.221 6.789 -1.299 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.514 7.503 -1.298 1.00 0.00 H new ATOM 0 HB3 GLN A 82 15.634 8.430 -0.099 1.00 0.00 H new ATOM 0 HG2 GLN A 82 16.543 6.616 1.598 1.00 0.00 H new ATOM 0 HG3 GLN A 82 17.712 6.276 0.337 1.00 0.00 H new ATOM 0 HE21 GLN A 82 16.950 8.309 2.946 1.00 0.00 H new ATOM 0 HE22 GLN A 82 17.960 9.706 2.558 1.00 0.00 H new ATOM 1125 N VAL A 83 16.049 4.910 -1.854 1.00 0.00 N ATOM 1126 CA VAL A 83 16.628 3.648 -2.288 1.00 0.00 C ATOM 1127 C VAL A 83 18.042 3.581 -1.721 1.00 0.00 C ATOM 1128 O VAL A 83 18.763 4.586 -1.736 1.00 0.00 O ATOM 1129 CB VAL A 83 16.609 3.574 -3.833 1.00 0.00 C ATOM 1130 CG1 VAL A 83 16.979 2.166 -4.321 1.00 0.00 C ATOM 1131 CG2 VAL A 83 15.230 3.967 -4.394 1.00 0.00 C ATOM 0 H VAL A 83 16.285 5.691 -2.466 1.00 0.00 H new ATOM 0 HA VAL A 83 16.058 2.793 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 83 17.351 4.283 -4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 83 16.958 2.141 -5.411 1.00 0.00 H new ATOM 0 HG12 VAL A 83 17.979 1.911 -3.971 1.00 0.00 H new ATOM 0 HG13 VAL A 83 16.262 1.445 -3.928 1.00 0.00 H new ATOM 0 HG21 VAL A 83 15.249 3.905 -5.482 1.00 0.00 H new ATOM 0 HG22 VAL A 83 14.472 3.287 -4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 83 14.992 4.987 -4.093 1.00 0.00 H new ATOM 1141 N VAL A 84 18.450 2.407 -1.247 1.00 0.00 N ATOM 1142 CA VAL A 84 19.794 2.143 -0.767 1.00 0.00 C ATOM 1143 C VAL A 84 20.249 0.844 -1.395 1.00 0.00 C ATOM 1144 O VAL A 84 19.432 -0.100 -1.496 1.00 0.00 O ATOM 1145 CB VAL A 84 19.878 2.177 0.771 1.00 0.00 C ATOM 1146 CG1 VAL A 84 19.525 3.574 1.296 1.00 0.00 C ATOM 1147 CG2 VAL A 84 18.933 1.197 1.466 1.00 0.00 C ATOM 0 H VAL A 84 17.836 1.595 -1.187 1.00 0.00 H new ATOM 0 HA VAL A 84 20.482 2.932 -1.071 1.00 0.00 H new ATOM 0 HB VAL A 84 20.906 1.895 1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.589 3.581 2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 84 20.224 4.304 0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 84 18.511 3.832 0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 84 19.052 1.281 2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 84 17.903 1.430 1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.169 0.180 1.153 1.00 0.00 H new TER 1157 VAL A 84