USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 550 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 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 100 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 73 TYR OH : rot 180:sc= 0.768 USER MOD Set 2.2: A 98 LYS NZ :NH3+ -151:sc= 1.42 (180deg=1.13) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.0677 X(o=-0.068,f=-0.56) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 82:sc= 1.27 USER MOD Single : A 58 ASN : amide:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -173:sc= 2.05 (180deg=2) USER MOD Single : A 67 THR OG1 : rot -80:sc= -1.32 USER MOD Single : A 68 LYS NZ :NH3+ -159:sc= 0.244 (180deg=0.0749) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 76 GLN : amide:sc= -1.08 K(o=-1.1,f=-5.7!) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -108:sc= 0.00165 (180deg=-0.776) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.464 X(o=-0.46,f=-0.92) USER MOD Single : A 97 LYS NZ :NH3+ -159:sc= -0.115 (180deg=-0.541) USER MOD ----------------------------------------------------------------- ATOM 21 N ALA A 2 20.647 34.295 23.929 1.00 0.00 N ATOM 22 CA ALA A 2 20.421 33.012 24.608 1.00 0.00 C ATOM 23 C ALA A 2 19.137 32.346 24.128 1.00 0.00 C ATOM 24 O ALA A 2 19.109 31.148 23.885 1.00 0.00 O ATOM 25 CB ALA A 2 20.388 33.209 26.118 1.00 0.00 C ATOM 0 HA ALA A 2 21.251 32.351 24.358 1.00 0.00 H new ATOM 0 HB1 ALA A 2 20.220 32.249 26.607 1.00 0.00 H new ATOM 0 HB2 ALA A 2 21.339 33.624 26.452 1.00 0.00 H new ATOM 0 HB3 ALA A 2 19.582 33.895 26.378 1.00 0.00 H new ATOM 31 N ASP A 3 18.104 33.153 23.952 1.00 0.00 N ATOM 32 CA ASP A 3 16.814 32.702 23.440 1.00 0.00 C ATOM 33 C ASP A 3 16.954 32.041 22.083 1.00 0.00 C ATOM 34 O ASP A 3 16.606 30.881 21.920 1.00 0.00 O ATOM 35 CB ASP A 3 15.843 33.878 23.331 1.00 0.00 C ATOM 36 CG ASP A 3 14.545 33.498 22.658 1.00 0.00 C ATOM 37 OD1 ASP A 3 13.671 32.901 23.312 1.00 0.00 O ATOM 38 OD2 ASP A 3 14.375 33.792 21.466 1.00 0.00 O ATOM 0 H ASP A 3 18.134 34.151 24.162 1.00 0.00 H new ATOM 0 HA ASP A 3 16.424 31.967 24.144 1.00 0.00 H new ATOM 0 HB2 ASP A 3 15.632 34.264 24.328 1.00 0.00 H new ATOM 0 HB3 ASP A 3 16.316 34.685 22.771 1.00 0.00 H new ATOM 43 N GLU A 4 17.523 32.771 21.140 1.00 0.00 N ATOM 44 CA GLU A 4 17.669 32.302 19.768 1.00 0.00 C ATOM 45 C GLU A 4 18.557 31.080 19.693 1.00 0.00 C ATOM 46 O GLU A 4 18.200 30.092 19.068 1.00 0.00 O ATOM 47 CB GLU A 4 18.243 33.385 18.864 1.00 0.00 C ATOM 48 CG GLU A 4 17.386 34.625 18.728 1.00 0.00 C ATOM 49 CD GLU A 4 17.989 35.605 17.762 1.00 0.00 C ATOM 50 OE1 GLU A 4 17.924 35.365 16.547 1.00 0.00 O ATOM 51 OE2 GLU A 4 18.580 36.621 18.192 1.00 0.00 O ATOM 0 H GLU A 4 17.898 33.706 21.301 1.00 0.00 H new ATOM 0 HA GLU A 4 16.669 32.041 19.422 1.00 0.00 H new ATOM 0 HB2 GLU A 4 19.220 33.677 19.248 1.00 0.00 H new ATOM 0 HB3 GLU A 4 18.404 32.962 17.872 1.00 0.00 H new ATOM 0 HG2 GLU A 4 16.389 34.344 18.389 1.00 0.00 H new ATOM 0 HG3 GLU A 4 17.270 35.098 19.703 1.00 0.00 H new ATOM 58 N GLU A 5 19.695 31.138 20.363 1.00 0.00 N ATOM 59 CA GLU A 5 20.656 30.054 20.318 1.00 0.00 C ATOM 60 C GLU A 5 20.141 28.782 21.009 1.00 0.00 C ATOM 61 O GLU A 5 20.537 27.658 20.653 1.00 0.00 O ATOM 62 CB GLU A 5 22.051 30.513 20.798 1.00 0.00 C ATOM 63 CG GLU A 5 22.117 31.109 22.186 1.00 0.00 C ATOM 64 CD GLU A 5 23.466 31.745 22.457 1.00 0.00 C ATOM 65 OE1 GLU A 5 23.831 32.715 21.766 1.00 0.00 O ATOM 66 OE2 GLU A 5 24.190 31.296 23.365 1.00 0.00 O ATOM 0 H GLU A 5 19.975 31.927 20.946 1.00 0.00 H new ATOM 0 HA GLU A 5 20.782 29.768 19.274 1.00 0.00 H new ATOM 0 HB2 GLU A 5 22.725 29.657 20.760 1.00 0.00 H new ATOM 0 HB3 GLU A 5 22.431 31.250 20.090 1.00 0.00 H new ATOM 0 HG2 GLU A 5 21.332 31.857 22.299 1.00 0.00 H new ATOM 0 HG3 GLU A 5 21.925 30.332 22.926 1.00 0.00 H new ATOM 73 N LEU A 6 19.251 28.954 21.969 1.00 0.00 N ATOM 74 CA LEU A 6 18.595 27.839 22.619 1.00 0.00 C ATOM 75 C LEU A 6 17.499 27.289 21.697 1.00 0.00 C ATOM 76 O LEU A 6 17.430 26.086 21.424 1.00 0.00 O ATOM 77 CB LEU A 6 17.957 28.288 23.936 1.00 0.00 C ATOM 78 CG LEU A 6 17.323 27.189 24.784 1.00 0.00 C ATOM 79 CD1 LEU A 6 18.382 26.326 25.444 1.00 0.00 C ATOM 80 CD2 LEU A 6 16.377 27.773 25.804 1.00 0.00 C ATOM 0 H LEU A 6 18.964 29.869 22.318 1.00 0.00 H new ATOM 0 HA LEU A 6 19.337 27.068 22.826 1.00 0.00 H new ATOM 0 HB2 LEU A 6 18.720 28.786 24.534 1.00 0.00 H new ATOM 0 HB3 LEU A 6 17.193 29.032 23.711 1.00 0.00 H new ATOM 0 HG LEU A 6 16.743 26.547 24.121 1.00 0.00 H new ATOM 0 HD11 LEU A 6 17.900 25.552 26.041 1.00 0.00 H new ATOM 0 HD12 LEU A 6 19.001 25.860 24.678 1.00 0.00 H new ATOM 0 HD13 LEU A 6 19.007 26.945 26.088 1.00 0.00 H new ATOM 0 HD21 LEU A 6 15.938 26.969 26.395 1.00 0.00 H new ATOM 0 HD22 LEU A 6 16.923 28.450 26.461 1.00 0.00 H new ATOM 0 HD23 LEU A 6 15.585 28.322 25.294 1.00 0.00 H new ATOM 92 N GLU A 7 16.675 28.199 21.203 1.00 0.00 N ATOM 93 CA GLU A 7 15.525 27.889 20.363 1.00 0.00 C ATOM 94 C GLU A 7 15.946 27.165 19.082 1.00 0.00 C ATOM 95 O GLU A 7 15.382 26.130 18.724 1.00 0.00 O ATOM 96 CB GLU A 7 14.793 29.195 20.026 1.00 0.00 C ATOM 97 CG GLU A 7 13.466 29.018 19.333 1.00 0.00 C ATOM 98 CD GLU A 7 12.502 28.220 20.162 1.00 0.00 C ATOM 99 OE1 GLU A 7 11.960 28.751 21.158 1.00 0.00 O ATOM 100 OE2 GLU A 7 12.253 27.063 19.832 1.00 0.00 O ATOM 0 H GLU A 7 16.788 29.197 21.378 1.00 0.00 H new ATOM 0 HA GLU A 7 14.859 27.219 20.907 1.00 0.00 H new ATOM 0 HB2 GLU A 7 14.633 29.753 20.948 1.00 0.00 H new ATOM 0 HB3 GLU A 7 15.439 29.804 19.393 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.036 29.996 19.118 1.00 0.00 H new ATOM 0 HG3 GLU A 7 13.620 28.520 18.376 1.00 0.00 H new ATOM 107 N ALA A 8 16.963 27.695 18.432 1.00 0.00 N ATOM 108 CA ALA A 8 17.476 27.148 17.184 1.00 0.00 C ATOM 109 C ALA A 8 18.014 25.735 17.363 1.00 0.00 C ATOM 110 O ALA A 8 17.823 24.877 16.506 1.00 0.00 O ATOM 111 CB ALA A 8 18.558 28.053 16.614 1.00 0.00 C ATOM 0 H ALA A 8 17.463 28.524 18.754 1.00 0.00 H new ATOM 0 HA ALA A 8 16.643 27.098 16.482 1.00 0.00 H new ATOM 0 HB1 ALA A 8 18.932 27.631 15.681 1.00 0.00 H new ATOM 0 HB2 ALA A 8 18.142 29.042 16.423 1.00 0.00 H new ATOM 0 HB3 ALA A 8 19.377 28.135 17.329 1.00 0.00 H new ATOM 117 N LEU A 9 18.655 25.491 18.491 1.00 0.00 N ATOM 118 CA LEU A 9 19.246 24.198 18.758 1.00 0.00 C ATOM 119 C LEU A 9 18.143 23.155 18.974 1.00 0.00 C ATOM 120 O LEU A 9 18.230 22.019 18.466 1.00 0.00 O ATOM 121 CB LEU A 9 20.253 24.301 19.937 1.00 0.00 C ATOM 122 CG LEU A 9 21.111 23.056 20.271 1.00 0.00 C ATOM 123 CD1 LEU A 9 22.358 23.475 21.029 1.00 0.00 C ATOM 124 CD2 LEU A 9 20.331 22.065 21.124 1.00 0.00 C ATOM 0 H LEU A 9 18.778 26.175 19.237 1.00 0.00 H new ATOM 0 HA LEU A 9 19.824 23.861 17.897 1.00 0.00 H new ATOM 0 HB2 LEU A 9 20.932 25.127 19.725 1.00 0.00 H new ATOM 0 HB3 LEU A 9 19.693 24.570 20.832 1.00 0.00 H new ATOM 0 HG LEU A 9 21.384 22.578 19.330 1.00 0.00 H new ATOM 0 HD11 LEU A 9 22.956 22.594 21.260 1.00 0.00 H new ATOM 0 HD12 LEU A 9 22.943 24.160 20.416 1.00 0.00 H new ATOM 0 HD13 LEU A 9 22.071 23.972 21.956 1.00 0.00 H new ATOM 0 HD21 LEU A 9 20.958 21.201 21.343 1.00 0.00 H new ATOM 0 HD22 LEU A 9 20.034 22.543 22.057 1.00 0.00 H new ATOM 0 HD23 LEU A 9 19.442 21.740 20.583 1.00 0.00 H new ATOM 136 N ARG A 10 17.093 23.551 19.689 1.00 0.00 N ATOM 137 CA ARG A 10 15.945 22.682 19.892 1.00 0.00 C ATOM 138 C ARG A 10 15.242 22.428 18.562 1.00 0.00 C ATOM 139 O ARG A 10 14.902 21.292 18.230 1.00 0.00 O ATOM 140 CB ARG A 10 14.951 23.277 20.893 1.00 0.00 C ATOM 141 CG ARG A 10 13.702 22.419 21.058 1.00 0.00 C ATOM 142 CD ARG A 10 12.699 23.014 22.019 1.00 0.00 C ATOM 143 NE ARG A 10 11.490 22.184 22.084 1.00 0.00 N ATOM 144 CZ ARG A 10 10.314 22.554 22.592 1.00 0.00 C ATOM 145 NH1 ARG A 10 10.170 23.737 23.187 1.00 0.00 N ATOM 146 NH2 ARG A 10 9.284 21.723 22.510 1.00 0.00 N ATOM 0 H ARG A 10 17.017 24.465 20.135 1.00 0.00 H new ATOM 0 HA ARG A 10 16.313 21.741 20.302 1.00 0.00 H new ATOM 0 HB2 ARG A 10 15.440 23.391 21.861 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.661 24.275 20.563 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.229 22.285 20.085 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.992 21.429 21.411 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.143 23.097 23.011 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.437 24.023 21.701 1.00 0.00 H new ATOM 0 HE ARG A 10 11.555 21.239 21.706 1.00 0.00 H new ATOM 0 HH11 ARG A 10 10.965 24.372 23.258 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.265 24.008 23.571 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.397 20.813 22.062 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.379 21.993 22.894 1.00 0.00 H new ATOM 160 N ARG A 11 15.054 23.488 17.803 1.00 0.00 N ATOM 161 CA ARG A 11 14.417 23.403 16.505 1.00 0.00 C ATOM 162 C ARG A 11 15.190 22.554 15.507 1.00 0.00 C ATOM 163 O ARG A 11 14.593 21.948 14.636 1.00 0.00 O ATOM 164 CB ARG A 11 14.033 24.775 15.956 1.00 0.00 C ATOM 165 CG ARG A 11 12.597 25.165 16.292 1.00 0.00 C ATOM 166 CD ARG A 11 12.288 26.600 15.907 1.00 0.00 C ATOM 167 NE ARG A 11 10.838 26.843 15.762 1.00 0.00 N ATOM 168 CZ ARG A 11 10.019 27.413 16.666 1.00 0.00 C ATOM 169 NH1 ARG A 11 10.402 27.596 17.916 1.00 0.00 N ATOM 170 NH2 ARG A 11 8.777 27.735 16.315 1.00 0.00 N ATOM 0 H ARG A 11 15.338 24.431 18.068 1.00 0.00 H new ATOM 0 HA ARG A 11 13.482 22.867 16.665 1.00 0.00 H new ATOM 0 HB2 ARG A 11 14.712 25.526 16.359 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.162 24.777 14.874 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.910 24.496 15.774 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.427 25.032 17.360 1.00 0.00 H new ATOM 0 HD2 ARG A 11 12.693 27.272 16.664 1.00 0.00 H new ATOM 0 HD3 ARG A 11 12.789 26.838 14.969 1.00 0.00 H new ATOM 0 HE ARG A 11 10.412 26.548 14.884 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.333 27.304 18.212 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.767 28.030 18.586 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.451 27.550 15.366 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.151 28.167 16.994 1.00 0.00 H new ATOM 184 N GLN A 12 16.506 22.493 15.648 1.00 0.00 N ATOM 185 CA GLN A 12 17.325 21.621 14.812 1.00 0.00 C ATOM 186 C GLN A 12 16.932 20.154 15.063 1.00 0.00 C ATOM 187 O GLN A 12 16.756 19.374 14.131 1.00 0.00 O ATOM 188 CB GLN A 12 18.811 21.825 15.111 1.00 0.00 C ATOM 189 CG GLN A 12 19.732 21.015 14.212 1.00 0.00 C ATOM 190 CD GLN A 12 21.185 21.139 14.596 1.00 0.00 C ATOM 191 OE1 GLN A 12 21.901 22.016 14.120 1.00 0.00 O ATOM 192 NE2 GLN A 12 21.635 20.275 15.448 1.00 0.00 N ATOM 0 H GLN A 12 17.032 23.036 16.333 1.00 0.00 H new ATOM 0 HA GLN A 12 17.151 21.871 13.765 1.00 0.00 H new ATOM 0 HB2 GLN A 12 19.052 22.883 15.005 1.00 0.00 H new ATOM 0 HB3 GLN A 12 19.004 21.557 16.150 1.00 0.00 H new ATOM 0 HG2 GLN A 12 19.439 19.966 14.251 1.00 0.00 H new ATOM 0 HG3 GLN A 12 19.605 21.343 13.180 1.00 0.00 H new ATOM 0 HE21 GLN A 12 21.014 19.559 15.825 1.00 0.00 H new ATOM 0 HE22 GLN A 12 22.611 20.310 15.743 1.00 0.00 H new ATOM 201 N ARG A 13 16.738 19.822 16.335 1.00 0.00 N ATOM 202 CA ARG A 13 16.334 18.483 16.761 1.00 0.00 C ATOM 203 C ARG A 13 14.913 18.223 16.237 1.00 0.00 C ATOM 204 O ARG A 13 14.598 17.151 15.729 1.00 0.00 O ATOM 205 CB ARG A 13 16.409 18.420 18.325 1.00 0.00 C ATOM 206 CG ARG A 13 16.221 17.047 19.023 1.00 0.00 C ATOM 207 CD ARG A 13 14.808 16.484 18.899 1.00 0.00 C ATOM 208 NE ARG A 13 14.599 15.304 19.750 1.00 0.00 N ATOM 209 CZ ARG A 13 13.872 14.229 19.425 1.00 0.00 C ATOM 210 NH1 ARG A 13 13.423 14.065 18.190 1.00 0.00 N ATOM 211 NH2 ARG A 13 13.651 13.289 20.326 1.00 0.00 N ATOM 0 H ARG A 13 16.857 20.478 17.107 1.00 0.00 H new ATOM 0 HA ARG A 13 16.991 17.710 16.361 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.380 18.814 18.626 1.00 0.00 H new ATOM 0 HB3 ARG A 13 15.653 19.099 18.720 1.00 0.00 H new ATOM 0 HG2 ARG A 13 16.926 16.333 18.597 1.00 0.00 H new ATOM 0 HG3 ARG A 13 16.470 17.149 20.079 1.00 0.00 H new ATOM 0 HD2 ARG A 13 14.087 17.256 19.169 1.00 0.00 H new ATOM 0 HD3 ARG A 13 14.616 16.218 17.860 1.00 0.00 H new ATOM 0 HE ARG A 13 15.046 15.305 20.667 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.631 14.762 17.475 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.870 13.241 17.954 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.034 13.384 21.267 1.00 0.00 H new ATOM 0 HH22 ARG A 13 13.097 12.468 20.081 1.00 0.00 H new ATOM 225 N LEU A 14 14.091 19.238 16.334 1.00 0.00 N ATOM 226 CA LEU A 14 12.710 19.195 15.882 1.00 0.00 C ATOM 227 C LEU A 14 12.654 18.995 14.341 1.00 0.00 C ATOM 228 O LEU A 14 11.747 18.338 13.814 1.00 0.00 O ATOM 229 CB LEU A 14 12.010 20.502 16.379 1.00 0.00 C ATOM 230 CG LEU A 14 10.505 20.742 16.106 1.00 0.00 C ATOM 231 CD1 LEU A 14 10.256 21.183 14.681 1.00 0.00 C ATOM 232 CD2 LEU A 14 9.676 19.508 16.450 1.00 0.00 C ATOM 0 H LEU A 14 14.361 20.136 16.735 1.00 0.00 H new ATOM 0 HA LEU A 14 12.172 18.344 16.300 1.00 0.00 H new ATOM 0 HB2 LEU A 14 12.153 20.552 17.458 1.00 0.00 H new ATOM 0 HB3 LEU A 14 12.553 21.342 15.946 1.00 0.00 H new ATOM 0 HG LEU A 14 10.186 21.554 16.759 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.188 21.341 14.530 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.791 22.113 14.489 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.609 20.413 13.995 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.624 19.708 16.247 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.008 18.666 15.843 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.803 19.267 17.505 1.00 0.00 H new ATOM 656 N ILE A 43 1.007 0.360 -1.912 1.00 0.00 N ATOM 657 CA ILE A 43 1.040 -1.070 -1.620 1.00 0.00 C ATOM 658 C ILE A 43 0.046 -1.799 -2.511 1.00 0.00 C ATOM 659 O ILE A 43 0.319 -2.909 -2.992 1.00 0.00 O ATOM 660 CB ILE A 43 0.856 -1.472 -0.102 1.00 0.00 C ATOM 661 CG1 ILE A 43 -0.609 -1.362 0.405 1.00 0.00 C ATOM 662 CG2 ILE A 43 1.787 -0.648 0.773 1.00 0.00 C ATOM 663 CD1 ILE A 43 -0.804 -1.848 1.830 1.00 0.00 C ATOM 0 HA ILE A 43 2.059 -1.386 -1.844 1.00 0.00 H new ATOM 0 HB ILE A 43 1.117 -2.528 -0.031 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.929 -0.322 0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.256 -1.937 -0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.652 -0.933 1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.820 -0.830 0.478 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.557 0.411 0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.851 -1.739 2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.517 -2.897 1.899 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.184 -1.257 2.504 1.00 0.00 H new ATOM 675 N LEU A 44 -1.101 -1.150 -2.746 1.00 0.00 N ATOM 676 CA LEU A 44 -2.156 -1.684 -3.600 1.00 0.00 C ATOM 677 C LEU A 44 -1.636 -1.949 -4.997 1.00 0.00 C ATOM 678 O LEU A 44 -1.908 -2.977 -5.565 1.00 0.00 O ATOM 679 CB LEU A 44 -3.356 -0.726 -3.696 1.00 0.00 C ATOM 680 CG LEU A 44 -4.045 -0.328 -2.391 1.00 0.00 C ATOM 681 CD1 LEU A 44 -5.257 0.534 -2.671 1.00 0.00 C ATOM 682 CD2 LEU A 44 -4.426 -1.540 -1.577 1.00 0.00 C ATOM 0 H LEU A 44 -1.319 -0.238 -2.346 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.485 -2.617 -3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.021 0.185 -4.191 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.102 -1.185 -4.344 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.335 0.254 -1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.734 0.807 -1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.947 1.437 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.963 -0.021 -3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.914 -1.221 -0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.110 -2.164 -2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.530 -2.112 -1.334 1.00 0.00 H new ATOM 694 N ALA A 45 -0.857 -1.020 -5.525 1.00 0.00 N ATOM 695 CA ALA A 45 -0.305 -1.126 -6.880 1.00 0.00 C ATOM 696 C ALA A 45 0.645 -2.315 -7.031 1.00 0.00 C ATOM 697 O ALA A 45 0.892 -2.790 -8.143 1.00 0.00 O ATOM 698 CB ALA A 45 0.403 0.160 -7.258 1.00 0.00 C ATOM 0 H ALA A 45 -0.585 -0.169 -5.033 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.142 -1.294 -7.557 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.809 0.069 -8.266 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.305 0.988 -7.225 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.215 0.348 -6.556 1.00 0.00 H new ATOM 704 N GLN A 46 1.166 -2.788 -5.924 1.00 0.00 N ATOM 705 CA GLN A 46 2.079 -3.902 -5.950 1.00 0.00 C ATOM 706 C GLN A 46 1.323 -5.218 -5.852 1.00 0.00 C ATOM 707 O GLN A 46 1.720 -6.208 -6.442 1.00 0.00 O ATOM 708 CB GLN A 46 3.102 -3.797 -4.817 1.00 0.00 C ATOM 709 CG GLN A 46 3.910 -2.504 -4.819 1.00 0.00 C ATOM 710 CD GLN A 46 4.683 -2.277 -6.102 1.00 0.00 C ATOM 711 OE1 GLN A 46 5.104 -3.220 -6.772 1.00 0.00 O ATOM 712 NE2 GLN A 46 4.883 -1.033 -6.447 1.00 0.00 N ATOM 0 H GLN A 46 0.972 -2.417 -4.994 1.00 0.00 H new ATOM 0 HA GLN A 46 2.613 -3.875 -6.900 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.581 -3.885 -3.864 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.789 -4.641 -4.884 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.236 -1.663 -4.657 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.608 -2.519 -3.982 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.519 -0.278 -5.866 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.403 -0.817 -7.297 1.00 0.00 H new ATOM 721 N VAL A 47 0.230 -5.225 -5.111 1.00 0.00 N ATOM 722 CA VAL A 47 -0.542 -6.449 -4.924 1.00 0.00 C ATOM 723 C VAL A 47 -1.606 -6.628 -5.996 1.00 0.00 C ATOM 724 O VAL A 47 -1.924 -7.744 -6.376 1.00 0.00 O ATOM 725 CB VAL A 47 -1.162 -6.562 -3.495 1.00 0.00 C ATOM 726 CG1 VAL A 47 -0.069 -6.537 -2.440 1.00 0.00 C ATOM 727 CG2 VAL A 47 -2.177 -5.460 -3.222 1.00 0.00 C ATOM 0 H VAL A 47 -0.144 -4.407 -4.631 1.00 0.00 H new ATOM 0 HA VAL A 47 0.172 -7.266 -5.027 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.690 -7.515 -3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.517 -6.617 -1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.610 -7.375 -2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.486 -5.602 -2.513 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.582 -5.579 -2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.690 -4.488 -3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.987 -5.523 -3.949 1.00 0.00 H new ATOM 737 N LEU A 48 -2.134 -5.539 -6.489 1.00 0.00 N ATOM 738 CA LEU A 48 -3.129 -5.581 -7.529 1.00 0.00 C ATOM 739 C LEU A 48 -2.445 -5.613 -8.847 1.00 0.00 C ATOM 740 O LEU A 48 -1.564 -4.785 -9.117 1.00 0.00 O ATOM 741 CB LEU A 48 -4.013 -4.334 -7.491 1.00 0.00 C ATOM 742 CG LEU A 48 -4.875 -4.134 -6.246 1.00 0.00 C ATOM 743 CD1 LEU A 48 -5.409 -2.724 -6.214 1.00 0.00 C ATOM 744 CD2 LEU A 48 -6.033 -5.102 -6.253 1.00 0.00 C ATOM 0 H LEU A 48 -1.887 -4.598 -6.182 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.746 -6.467 -7.378 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.371 -3.460 -7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.672 -4.359 -8.359 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.260 -4.314 -5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.023 -2.588 -5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.577 -2.020 -6.192 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.014 -2.544 -7.103 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.640 -4.950 -5.361 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.643 -4.933 -7.140 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.653 -6.124 -6.263 1.00 0.00 H new ATOM 756 N ASP A 49 -2.802 -6.555 -9.660 1.00 0.00 N ATOM 757 CA ASP A 49 -2.280 -6.580 -10.996 1.00 0.00 C ATOM 758 C ASP A 49 -3.023 -5.516 -11.830 1.00 0.00 C ATOM 759 O ASP A 49 -4.000 -4.920 -11.347 1.00 0.00 O ATOM 760 CB ASP A 49 -2.390 -7.976 -11.616 1.00 0.00 C ATOM 761 CG ASP A 49 -1.559 -8.107 -12.869 1.00 0.00 C ATOM 762 OD1 ASP A 49 -0.338 -8.285 -12.762 1.00 0.00 O ATOM 763 OD2 ASP A 49 -2.108 -7.983 -13.977 1.00 0.00 O ATOM 0 H ASP A 49 -3.446 -7.312 -9.430 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.216 -6.343 -10.980 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.069 -8.722 -10.889 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.433 -8.187 -11.850 1.00 0.00 H new ATOM 768 N GLN A 50 -2.607 -5.340 -13.067 1.00 0.00 N ATOM 769 CA GLN A 50 -3.051 -4.271 -13.961 1.00 0.00 C ATOM 770 C GLN A 50 -4.570 -4.101 -14.020 1.00 0.00 C ATOM 771 O GLN A 50 -5.087 -2.988 -13.829 1.00 0.00 O ATOM 772 CB GLN A 50 -2.535 -4.539 -15.363 1.00 0.00 C ATOM 773 CG GLN A 50 -1.028 -4.667 -15.464 1.00 0.00 C ATOM 774 CD GLN A 50 -0.576 -4.878 -16.887 1.00 0.00 C ATOM 775 OE1 GLN A 50 -0.473 -6.014 -17.360 1.00 0.00 O ATOM 776 NE2 GLN A 50 -0.310 -3.803 -17.583 1.00 0.00 N ATOM 0 H GLN A 50 -1.923 -5.959 -13.502 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.645 -3.345 -13.553 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.991 -5.457 -15.735 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.863 -3.732 -16.018 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.560 -3.768 -15.064 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.692 -5.502 -14.849 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.407 -2.882 -17.156 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.005 -3.886 -18.553 1.00 0.00 H new ATOM 785 N SER A 51 -5.269 -5.188 -14.227 1.00 0.00 N ATOM 786 CA SER A 51 -6.701 -5.147 -14.430 1.00 0.00 C ATOM 787 C SER A 51 -7.436 -4.818 -13.131 1.00 0.00 C ATOM 788 O SER A 51 -8.348 -4.012 -13.122 1.00 0.00 O ATOM 789 CB SER A 51 -7.184 -6.468 -15.030 1.00 0.00 C ATOM 790 OG SER A 51 -6.522 -6.746 -16.263 1.00 0.00 O ATOM 0 H SER A 51 -4.867 -6.125 -14.260 1.00 0.00 H new ATOM 0 HA SER A 51 -6.929 -4.348 -15.136 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.002 -7.279 -14.325 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.261 -6.424 -15.194 1.00 0.00 H new ATOM 0 HG SER A 51 -6.848 -7.597 -16.625 1.00 0.00 H new ATOM 796 N ALA A 52 -6.999 -5.420 -12.034 1.00 0.00 N ATOM 797 CA ALA A 52 -7.592 -5.172 -10.729 1.00 0.00 C ATOM 798 C ALA A 52 -7.350 -3.728 -10.306 1.00 0.00 C ATOM 799 O ALA A 52 -8.241 -3.057 -9.780 1.00 0.00 O ATOM 800 CB ALA A 52 -7.010 -6.123 -9.700 1.00 0.00 C ATOM 0 H ALA A 52 -6.229 -6.089 -12.023 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.667 -5.342 -10.795 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.462 -5.928 -8.727 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.218 -7.151 -9.996 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.932 -5.974 -9.636 1.00 0.00 H new ATOM 806 N ARG A 53 -6.148 -3.253 -10.581 1.00 0.00 N ATOM 807 CA ARG A 53 -5.742 -1.900 -10.263 1.00 0.00 C ATOM 808 C ARG A 53 -6.601 -0.898 -11.034 1.00 0.00 C ATOM 809 O ARG A 53 -7.073 0.102 -10.489 1.00 0.00 O ATOM 810 CB ARG A 53 -4.275 -1.723 -10.626 1.00 0.00 C ATOM 811 CG ARG A 53 -3.673 -0.405 -10.185 1.00 0.00 C ATOM 812 CD ARG A 53 -3.728 -0.217 -8.675 1.00 0.00 C ATOM 813 NE ARG A 53 -3.302 1.139 -8.302 1.00 0.00 N ATOM 814 CZ ARG A 53 -3.836 1.886 -7.323 1.00 0.00 C ATOM 815 NH1 ARG A 53 -4.755 1.371 -6.497 1.00 0.00 N ATOM 816 NH2 ARG A 53 -3.447 3.139 -7.161 1.00 0.00 N ATOM 0 H ARG A 53 -5.420 -3.804 -11.036 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.877 -1.720 -9.196 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.703 -2.537 -10.180 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.168 -1.813 -11.707 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.636 -0.353 -10.517 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.204 0.414 -10.670 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.743 -0.395 -8.319 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.086 -0.951 -8.189 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.534 1.548 -8.833 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.055 0.403 -6.608 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.155 1.947 -5.756 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.741 3.538 -7.780 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.853 3.707 -6.417 1.00 0.00 H new ATOM 830 N ALA A 54 -6.800 -1.183 -12.286 1.00 0.00 N ATOM 831 CA ALA A 54 -7.645 -0.355 -13.137 1.00 0.00 C ATOM 832 C ALA A 54 -9.113 -0.431 -12.689 1.00 0.00 C ATOM 833 O ALA A 54 -9.837 0.585 -12.699 1.00 0.00 O ATOM 834 CB ALA A 54 -7.512 -0.779 -14.592 1.00 0.00 C ATOM 0 H ALA A 54 -6.390 -1.989 -12.758 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.313 0.679 -13.044 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.150 -0.151 -15.214 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.475 -0.670 -14.909 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.816 -1.820 -14.697 1.00 0.00 H new ATOM 840 N ARG A 55 -9.524 -1.622 -12.255 1.00 0.00 N ATOM 841 CA ARG A 55 -10.886 -1.895 -11.859 1.00 0.00 C ATOM 842 C ARG A 55 -11.348 -1.033 -10.682 1.00 0.00 C ATOM 843 O ARG A 55 -12.381 -0.384 -10.770 1.00 0.00 O ATOM 844 CB ARG A 55 -11.053 -3.375 -11.530 1.00 0.00 C ATOM 845 CG ARG A 55 -12.491 -3.829 -11.451 1.00 0.00 C ATOM 846 CD ARG A 55 -13.116 -3.868 -12.836 1.00 0.00 C ATOM 847 NE ARG A 55 -14.549 -4.132 -12.788 1.00 0.00 N ATOM 848 CZ ARG A 55 -15.202 -5.013 -13.555 1.00 0.00 C ATOM 849 NH1 ARG A 55 -14.544 -5.827 -14.374 1.00 0.00 N ATOM 850 NH2 ARG A 55 -16.524 -5.084 -13.483 1.00 0.00 N ATOM 0 H ARG A 55 -8.905 -2.428 -12.171 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.520 -1.635 -12.707 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.538 -3.965 -12.288 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.565 -3.582 -10.578 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.541 -4.818 -10.995 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.057 -3.153 -10.810 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.940 -2.917 -13.339 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.626 -4.638 -13.432 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.100 -3.601 -12.114 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.526 -5.786 -14.425 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.057 -6.493 -14.952 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -17.034 -4.471 -12.847 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.031 -5.752 -14.063 1.00 0.00 H new ATOM 864 N LEU A 56 -10.586 -0.996 -9.592 1.00 0.00 N ATOM 865 CA LEU A 56 -11.041 -0.214 -8.418 1.00 0.00 C ATOM 866 C LEU A 56 -10.990 1.272 -8.694 1.00 0.00 C ATOM 867 O LEU A 56 -11.726 2.050 -8.093 1.00 0.00 O ATOM 868 CB LEU A 56 -10.342 -0.525 -7.080 1.00 0.00 C ATOM 869 CG LEU A 56 -8.971 0.088 -6.823 1.00 0.00 C ATOM 870 CD1 LEU A 56 -8.675 0.035 -5.347 1.00 0.00 C ATOM 871 CD2 LEU A 56 -7.906 -0.650 -7.578 1.00 0.00 C ATOM 0 H LEU A 56 -9.689 -1.470 -9.485 1.00 0.00 H new ATOM 0 HA LEU A 56 -12.071 -0.542 -8.280 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.005 -0.206 -6.276 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.243 -1.608 -7.000 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.979 1.123 -7.166 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.695 0.472 -5.157 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.435 0.596 -4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.681 -1.002 -5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.936 -0.194 -7.379 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.889 -1.692 -7.259 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.117 -0.601 -8.646 1.00 0.00 H new ATOM 883 N SER A 57 -10.093 1.662 -9.573 1.00 0.00 N ATOM 884 CA SER A 57 -9.991 3.031 -10.002 1.00 0.00 C ATOM 885 C SER A 57 -11.313 3.458 -10.650 1.00 0.00 C ATOM 886 O SER A 57 -11.819 4.545 -10.399 1.00 0.00 O ATOM 887 CB SER A 57 -8.833 3.154 -10.965 1.00 0.00 C ATOM 888 OG SER A 57 -7.616 2.764 -10.327 1.00 0.00 O ATOM 0 H SER A 57 -9.416 1.035 -10.008 1.00 0.00 H new ATOM 0 HA SER A 57 -9.805 3.690 -9.154 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.010 2.528 -11.840 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.753 4.182 -11.319 1.00 0.00 H new ATOM 0 HG SER A 57 -7.537 1.787 -10.342 1.00 0.00 H new ATOM 894 N ASN A 58 -11.875 2.551 -11.436 1.00 0.00 N ATOM 895 CA ASN A 58 -13.207 2.720 -12.030 1.00 0.00 C ATOM 896 C ASN A 58 -14.254 2.851 -10.917 1.00 0.00 C ATOM 897 O ASN A 58 -15.129 3.725 -10.977 1.00 0.00 O ATOM 898 CB ASN A 58 -13.530 1.518 -12.939 1.00 0.00 C ATOM 899 CG ASN A 58 -14.947 1.502 -13.519 1.00 0.00 C ATOM 900 OD1 ASN A 58 -15.522 0.430 -13.706 1.00 0.00 O ATOM 901 ND2 ASN A 58 -15.493 2.645 -13.846 1.00 0.00 N ATOM 0 H ASN A 58 -11.423 1.671 -11.685 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.224 3.626 -12.635 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.817 1.504 -13.763 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.377 0.601 -12.370 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.421 2.664 -14.269 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -14.991 3.517 -13.678 1.00 0.00 H new ATOM 908 N LEU A 59 -14.121 2.011 -9.877 1.00 0.00 N ATOM 909 CA LEU A 59 -15.002 2.047 -8.715 1.00 0.00 C ATOM 910 C LEU A 59 -15.040 3.413 -8.064 1.00 0.00 C ATOM 911 O LEU A 59 -16.085 3.849 -7.643 1.00 0.00 O ATOM 912 CB LEU A 59 -14.660 0.966 -7.661 1.00 0.00 C ATOM 913 CG LEU A 59 -15.342 -0.412 -7.812 1.00 0.00 C ATOM 914 CD1 LEU A 59 -16.858 -0.279 -7.707 1.00 0.00 C ATOM 915 CD2 LEU A 59 -14.965 -1.096 -9.112 1.00 0.00 C ATOM 0 H LEU A 59 -13.399 1.292 -9.825 1.00 0.00 H new ATOM 0 HA LEU A 59 -15.995 1.824 -9.105 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.581 0.812 -7.674 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.913 1.362 -6.678 1.00 0.00 H new ATOM 0 HG LEU A 59 -14.982 -1.037 -6.995 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -17.318 -1.261 -7.816 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -17.120 0.138 -6.735 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -17.221 0.381 -8.495 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -15.468 -2.061 -9.175 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.270 -0.473 -9.953 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -13.886 -1.246 -9.144 1.00 0.00 H new ATOM 927 N ALA A 60 -13.915 4.109 -8.049 1.00 0.00 N ATOM 928 CA ALA A 60 -13.827 5.432 -7.422 1.00 0.00 C ATOM 929 C ALA A 60 -14.753 6.454 -8.095 1.00 0.00 C ATOM 930 O ALA A 60 -15.165 7.448 -7.477 1.00 0.00 O ATOM 931 CB ALA A 60 -12.389 5.931 -7.418 1.00 0.00 C ATOM 0 H ALA A 60 -13.042 3.784 -8.464 1.00 0.00 H new ATOM 0 HA ALA A 60 -14.163 5.322 -6.391 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -12.346 6.914 -6.949 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.764 5.234 -6.859 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.026 6.003 -8.443 1.00 0.00 H new ATOM 937 N LEU A 61 -15.089 6.213 -9.341 1.00 0.00 N ATOM 938 CA LEU A 61 -15.950 7.120 -10.066 1.00 0.00 C ATOM 939 C LEU A 61 -17.403 6.631 -10.103 1.00 0.00 C ATOM 940 O LEU A 61 -18.299 7.368 -10.521 1.00 0.00 O ATOM 941 CB LEU A 61 -15.422 7.429 -11.490 1.00 0.00 C ATOM 942 CG LEU A 61 -14.132 8.290 -11.603 1.00 0.00 C ATOM 943 CD1 LEU A 61 -12.895 7.564 -11.106 1.00 0.00 C ATOM 944 CD2 LEU A 61 -13.927 8.761 -13.027 1.00 0.00 C ATOM 0 H LEU A 61 -14.781 5.399 -9.873 1.00 0.00 H new ATOM 0 HA LEU A 61 -15.936 8.058 -9.512 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -15.239 6.480 -11.995 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -16.215 7.936 -12.041 1.00 0.00 H new ATOM 0 HG LEU A 61 -14.277 9.154 -10.955 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -12.026 8.214 -11.209 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -13.026 7.297 -10.057 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -12.743 6.659 -11.694 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -13.019 9.362 -13.084 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.833 7.898 -13.686 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -14.781 9.363 -13.338 1.00 0.00 H new ATOM 956 N VAL A 62 -17.646 5.409 -9.653 1.00 0.00 N ATOM 957 CA VAL A 62 -19.011 4.864 -9.664 1.00 0.00 C ATOM 958 C VAL A 62 -19.568 4.583 -8.250 1.00 0.00 C ATOM 959 O VAL A 62 -20.723 4.897 -7.968 1.00 0.00 O ATOM 960 CB VAL A 62 -19.186 3.620 -10.601 1.00 0.00 C ATOM 961 CG1 VAL A 62 -18.962 4.005 -12.053 1.00 0.00 C ATOM 962 CG2 VAL A 62 -18.256 2.483 -10.218 1.00 0.00 C ATOM 0 H VAL A 62 -16.935 4.779 -9.280 1.00 0.00 H new ATOM 0 HA VAL A 62 -19.615 5.664 -10.093 1.00 0.00 H new ATOM 0 HB VAL A 62 -20.211 3.269 -10.477 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -19.088 3.127 -12.686 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -19.684 4.768 -12.343 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -17.952 4.397 -12.174 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -18.412 1.642 -10.894 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -17.222 2.819 -10.289 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -18.466 2.170 -9.195 1.00 0.00 H new ATOM 972 N LYS A 63 -18.753 4.000 -7.384 1.00 0.00 N ATOM 973 CA LYS A 63 -19.119 3.702 -5.997 1.00 0.00 C ATOM 974 C LYS A 63 -17.877 3.929 -5.134 1.00 0.00 C ATOM 975 O LYS A 63 -17.147 2.980 -4.823 1.00 0.00 O ATOM 976 CB LYS A 63 -19.618 2.235 -5.811 1.00 0.00 C ATOM 977 CG LYS A 63 -20.805 1.844 -6.698 1.00 0.00 C ATOM 978 CD LYS A 63 -21.276 0.393 -6.503 1.00 0.00 C ATOM 979 CE LYS A 63 -21.819 0.129 -5.096 1.00 0.00 C ATOM 980 NZ LYS A 63 -22.494 -1.193 -4.989 1.00 0.00 N ATOM 0 H LYS A 63 -17.804 3.714 -7.623 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.942 4.354 -5.705 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -18.790 1.556 -6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -19.899 2.091 -4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -21.637 2.517 -6.492 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -20.529 1.989 -7.742 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -22.051 0.166 -7.235 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -20.444 -0.284 -6.699 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -21.000 0.175 -4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -22.523 0.917 -4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -22.845 -1.326 -4.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -23.293 -1.230 -5.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -21.817 -1.948 -5.219 1.00 0.00 H new ATOM 994 N PRO A 64 -17.598 5.197 -4.760 1.00 0.00 N ATOM 995 CA PRO A 64 -16.362 5.572 -4.051 1.00 0.00 C ATOM 996 C PRO A 64 -16.279 4.976 -2.662 1.00 0.00 C ATOM 997 O PRO A 64 -15.189 4.866 -2.077 1.00 0.00 O ATOM 998 CB PRO A 64 -16.423 7.104 -3.973 1.00 0.00 C ATOM 999 CG PRO A 64 -17.484 7.502 -4.935 1.00 0.00 C ATOM 1000 CD PRO A 64 -18.455 6.364 -4.987 1.00 0.00 C ATOM 0 HA PRO A 64 -15.481 5.198 -4.572 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.662 7.438 -2.963 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -15.464 7.550 -4.238 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -17.977 8.419 -4.612 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.061 7.697 -5.921 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -19.226 6.455 -4.222 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -18.965 6.311 -5.949 1.00 0.00 H new ATOM 1008 N GLU A 65 -17.424 4.596 -2.128 1.00 0.00 N ATOM 1009 CA GLU A 65 -17.481 3.957 -0.836 1.00 0.00 C ATOM 1010 C GLU A 65 -16.767 2.624 -0.917 1.00 0.00 C ATOM 1011 O GLU A 65 -15.997 2.247 -0.027 1.00 0.00 O ATOM 1012 CB GLU A 65 -18.926 3.728 -0.411 1.00 0.00 C ATOM 1013 CG GLU A 65 -19.063 3.075 0.955 1.00 0.00 C ATOM 1014 CD GLU A 65 -20.481 2.730 1.290 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -21.250 3.632 1.657 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -20.855 1.539 1.221 1.00 0.00 O ATOM 0 H GLU A 65 -18.331 4.722 -2.576 1.00 0.00 H new ATOM 0 HA GLU A 65 -17.001 4.602 -0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -19.449 4.684 -0.401 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -19.420 3.102 -1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -18.457 2.170 0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -18.667 3.747 1.716 1.00 0.00 H new ATOM 1023 N LYS A 66 -16.973 1.944 -2.030 1.00 0.00 N ATOM 1024 CA LYS A 66 -16.418 0.639 -2.212 1.00 0.00 C ATOM 1025 C LYS A 66 -14.946 0.710 -2.459 1.00 0.00 C ATOM 1026 O LYS A 66 -14.232 -0.222 -2.138 1.00 0.00 O ATOM 1027 CB LYS A 66 -17.169 -0.175 -3.261 1.00 0.00 C ATOM 1028 CG LYS A 66 -18.648 -0.272 -2.959 1.00 0.00 C ATOM 1029 CD LYS A 66 -18.881 -0.651 -1.501 1.00 0.00 C ATOM 1030 CE LYS A 66 -20.333 -0.757 -1.210 1.00 0.00 C ATOM 1031 NZ LYS A 66 -20.607 -0.937 0.225 1.00 0.00 N ATOM 0 H LYS A 66 -17.524 2.286 -2.817 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.552 0.091 -1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.029 0.282 -4.241 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.744 -1.177 -3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.130 0.682 -3.173 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -19.108 -1.015 -3.610 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.392 -1.601 -1.285 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.428 0.096 -0.849 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.838 0.142 -1.563 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -20.751 -1.597 -1.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.621 -1.124 0.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.054 -1.740 0.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.340 -0.074 0.740 1.00 0.00 H new ATOM 1045 N THR A 67 -14.497 1.815 -3.041 1.00 0.00 N ATOM 1046 CA THR A 67 -13.089 2.054 -3.235 1.00 0.00 C ATOM 1047 C THR A 67 -12.376 1.995 -1.881 1.00 0.00 C ATOM 1048 O THR A 67 -11.453 1.226 -1.717 1.00 0.00 O ATOM 1049 CB THR A 67 -12.872 3.431 -3.839 1.00 0.00 C ATOM 1050 OG1 THR A 67 -13.840 3.626 -4.878 1.00 0.00 O ATOM 1051 CG2 THR A 67 -11.473 3.541 -4.435 1.00 0.00 C ATOM 0 H THR A 67 -15.101 2.561 -3.387 1.00 0.00 H new ATOM 0 HA THR A 67 -12.690 1.294 -3.907 1.00 0.00 H new ATOM 0 HB THR A 67 -12.980 4.187 -3.061 1.00 0.00 H new ATOM 0 HG1 THR A 67 -13.542 3.169 -5.692 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.337 4.534 -4.863 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.731 3.377 -3.654 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.350 2.790 -5.215 1.00 0.00 H new ATOM 1059 N LYS A 68 -12.877 2.748 -0.886 1.00 0.00 N ATOM 1060 CA LYS A 68 -12.258 2.726 0.442 1.00 0.00 C ATOM 1061 C LYS A 68 -12.366 1.360 1.087 1.00 0.00 C ATOM 1062 O LYS A 68 -11.451 0.937 1.809 1.00 0.00 O ATOM 1063 CB LYS A 68 -12.778 3.820 1.407 1.00 0.00 C ATOM 1064 CG LYS A 68 -12.103 5.190 1.264 1.00 0.00 C ATOM 1065 CD LYS A 68 -12.592 6.005 0.081 1.00 0.00 C ATOM 1066 CE LYS A 68 -13.998 6.530 0.323 1.00 0.00 C ATOM 1067 NZ LYS A 68 -14.442 7.445 -0.747 1.00 0.00 N ATOM 0 H LYS A 68 -13.687 3.362 -0.975 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.208 2.955 0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.850 3.942 1.249 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.645 3.472 2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.269 5.761 2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.027 5.044 1.170 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.914 6.840 -0.095 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.580 5.390 -0.819 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.691 5.691 0.392 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.030 7.050 1.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.216 8.043 -0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.646 8.047 -1.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.777 6.891 -1.561 1.00 0.00 H new ATOM 1081 N ALA A 69 -13.458 0.667 0.811 1.00 0.00 N ATOM 1082 CA ALA A 69 -13.662 -0.666 1.337 1.00 0.00 C ATOM 1083 C ALA A 69 -12.630 -1.634 0.754 1.00 0.00 C ATOM 1084 O ALA A 69 -11.933 -2.325 1.500 1.00 0.00 O ATOM 1085 CB ALA A 69 -15.079 -1.143 1.061 1.00 0.00 C ATOM 0 H ALA A 69 -14.218 1.010 0.223 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.526 -0.636 2.418 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.210 -2.147 1.465 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -15.790 -0.466 1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.255 -1.159 -0.015 1.00 0.00 H new ATOM 1091 N VAL A 70 -12.498 -1.656 -0.575 1.00 0.00 N ATOM 1092 CA VAL A 70 -11.529 -2.533 -1.204 1.00 0.00 C ATOM 1093 C VAL A 70 -10.089 -2.115 -0.891 1.00 0.00 C ATOM 1094 O VAL A 70 -9.252 -2.974 -0.658 1.00 0.00 O ATOM 1095 CB VAL A 70 -11.747 -2.736 -2.740 1.00 0.00 C ATOM 1096 CG1 VAL A 70 -13.112 -3.342 -3.016 1.00 0.00 C ATOM 1097 CG2 VAL A 70 -11.576 -1.445 -3.523 1.00 0.00 C ATOM 0 H VAL A 70 -13.043 -1.084 -1.220 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.702 -3.511 -0.755 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.976 -3.428 -3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.241 -3.474 -4.090 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.188 -4.310 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -13.888 -2.678 -2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.737 -1.639 -4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.301 -0.709 -3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.567 -1.060 -3.374 1.00 0.00 H new ATOM 1107 N GLU A 71 -9.814 -0.796 -0.835 1.00 0.00 N ATOM 1108 CA GLU A 71 -8.476 -0.304 -0.474 1.00 0.00 C ATOM 1109 C GLU A 71 -8.073 -0.868 0.884 1.00 0.00 C ATOM 1110 O GLU A 71 -6.979 -1.404 1.041 1.00 0.00 O ATOM 1111 CB GLU A 71 -8.404 1.246 -0.427 1.00 0.00 C ATOM 1112 CG GLU A 71 -8.518 1.977 -1.763 1.00 0.00 C ATOM 1113 CD GLU A 71 -8.415 3.491 -1.594 1.00 0.00 C ATOM 1114 OE1 GLU A 71 -9.293 4.088 -0.931 1.00 0.00 O ATOM 1115 OE2 GLU A 71 -7.432 4.099 -2.069 1.00 0.00 O ATOM 0 H GLU A 71 -10.494 -0.062 -1.033 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.788 -0.641 -1.249 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.200 1.604 0.226 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.459 1.529 0.037 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.731 1.632 -2.434 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.469 1.728 -2.233 1.00 0.00 H new ATOM 1122 N ASN A 72 -8.994 -0.791 1.842 1.00 0.00 N ATOM 1123 CA ASN A 72 -8.786 -1.289 3.177 1.00 0.00 C ATOM 1124 C ASN A 72 -8.622 -2.802 3.157 1.00 0.00 C ATOM 1125 O ASN A 72 -7.696 -3.342 3.759 1.00 0.00 O ATOM 1126 CB ASN A 72 -9.992 -0.922 4.031 1.00 0.00 C ATOM 1127 CG ASN A 72 -9.951 -1.515 5.413 1.00 0.00 C ATOM 1128 OD1 ASN A 72 -8.894 -1.650 6.030 1.00 0.00 O ATOM 1129 ND2 ASN A 72 -11.084 -1.916 5.880 1.00 0.00 N ATOM 0 H ASN A 72 -9.914 -0.374 1.699 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.881 -0.844 3.591 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.054 0.163 4.112 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.899 -1.256 3.527 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.128 -2.365 6.795 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.936 -1.784 5.335 1.00 0.00 H new ATOM 1136 N TYR A 73 -9.504 -3.463 2.429 1.00 0.00 N ATOM 1137 CA TYR A 73 -9.529 -4.910 2.344 1.00 0.00 C ATOM 1138 C TYR A 73 -8.200 -5.447 1.796 1.00 0.00 C ATOM 1139 O TYR A 73 -7.686 -6.445 2.288 1.00 0.00 O ATOM 1140 CB TYR A 73 -10.699 -5.358 1.468 1.00 0.00 C ATOM 1141 CG TYR A 73 -11.081 -6.818 1.608 1.00 0.00 C ATOM 1142 CD1 TYR A 73 -10.422 -7.814 0.904 1.00 0.00 C ATOM 1143 CD2 TYR A 73 -12.123 -7.190 2.441 1.00 0.00 C ATOM 1144 CE1 TYR A 73 -10.796 -9.134 1.021 1.00 0.00 C ATOM 1145 CE2 TYR A 73 -12.500 -8.508 2.565 1.00 0.00 C ATOM 1146 CZ TYR A 73 -11.831 -9.475 1.854 1.00 0.00 C ATOM 1147 OH TYR A 73 -12.215 -10.787 1.954 1.00 0.00 O ATOM 0 H TYR A 73 -10.229 -3.006 1.876 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.665 -5.318 3.346 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -11.568 -4.746 1.708 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.449 -5.162 0.425 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.602 -7.550 0.253 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -12.649 -6.433 3.003 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -10.277 -9.897 0.460 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -13.317 -8.780 3.217 1.00 0.00 H new ATOM 0 HH TYR A 73 -12.961 -10.862 2.585 1.00 0.00 H new ATOM 1157 N LEU A 74 -7.645 -4.784 0.787 1.00 0.00 N ATOM 1158 CA LEU A 74 -6.336 -5.175 0.259 1.00 0.00 C ATOM 1159 C LEU A 74 -5.229 -4.946 1.273 1.00 0.00 C ATOM 1160 O LEU A 74 -4.299 -5.758 1.363 1.00 0.00 O ATOM 1161 CB LEU A 74 -5.977 -4.511 -1.067 1.00 0.00 C ATOM 1162 CG LEU A 74 -6.521 -5.123 -2.375 1.00 0.00 C ATOM 1163 CD1 LEU A 74 -6.051 -6.547 -2.538 1.00 0.00 C ATOM 1164 CD2 LEU A 74 -8.030 -5.053 -2.471 1.00 0.00 C ATOM 0 H LEU A 74 -8.072 -3.983 0.321 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.424 -6.243 0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.316 -3.476 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.890 -4.487 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.120 -4.519 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.447 -6.957 -3.467 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.962 -6.570 -2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.404 -7.145 -1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.356 -5.498 -3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.473 -5.599 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.349 -4.011 -2.433 1.00 0.00 H new ATOM 1176 N ILE A 75 -5.319 -3.843 2.030 1.00 0.00 N ATOM 1177 CA ILE A 75 -4.361 -3.583 3.103 1.00 0.00 C ATOM 1178 C ILE A 75 -4.421 -4.752 4.080 1.00 0.00 C ATOM 1179 O ILE A 75 -3.406 -5.326 4.436 1.00 0.00 O ATOM 1180 CB ILE A 75 -4.686 -2.277 3.888 1.00 0.00 C ATOM 1181 CG1 ILE A 75 -4.649 -1.061 2.967 1.00 0.00 C ATOM 1182 CG2 ILE A 75 -3.709 -2.089 5.054 1.00 0.00 C ATOM 1183 CD1 ILE A 75 -5.051 0.225 3.646 1.00 0.00 C ATOM 0 H ILE A 75 -6.037 -3.128 1.918 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.374 -3.467 2.655 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.695 -2.371 4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.642 -0.950 2.566 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.312 -1.237 2.120 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.953 -1.171 5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.787 -2.937 5.734 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.691 -2.025 4.669 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.001 1.045 2.930 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.070 0.134 4.023 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.373 0.426 4.476 1.00 0.00 H new ATOM 1195 N GLN A 76 -5.646 -5.122 4.458 1.00 0.00 N ATOM 1196 CA GLN A 76 -5.897 -6.242 5.362 1.00 0.00 C ATOM 1197 C GLN A 76 -5.360 -7.544 4.778 1.00 0.00 C ATOM 1198 O GLN A 76 -4.728 -8.322 5.473 1.00 0.00 O ATOM 1199 CB GLN A 76 -7.397 -6.397 5.651 1.00 0.00 C ATOM 1200 CG GLN A 76 -8.062 -5.201 6.327 1.00 0.00 C ATOM 1201 CD GLN A 76 -7.548 -4.909 7.731 1.00 0.00 C ATOM 1202 OE1 GLN A 76 -6.386 -5.162 8.070 1.00 0.00 O ATOM 1203 NE2 GLN A 76 -8.405 -4.390 8.556 1.00 0.00 N ATOM 0 H GLN A 76 -6.494 -4.650 4.144 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.377 -6.026 6.295 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.912 -6.594 4.711 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.539 -7.274 6.282 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.911 -4.318 5.706 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.137 -5.377 6.375 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.357 -4.193 8.246 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.127 -4.179 9.514 1.00 0.00 H new ATOM 1212 N MET A 77 -5.598 -7.751 3.497 1.00 0.00 N ATOM 1213 CA MET A 77 -5.150 -8.947 2.776 1.00 0.00 C ATOM 1214 C MET A 77 -3.621 -9.055 2.860 1.00 0.00 C ATOM 1215 O MET A 77 -3.064 -10.140 3.129 1.00 0.00 O ATOM 1216 CB MET A 77 -5.594 -8.848 1.310 1.00 0.00 C ATOM 1217 CG MET A 77 -5.361 -10.093 0.467 1.00 0.00 C ATOM 1218 SD MET A 77 -6.352 -11.502 1.000 1.00 0.00 S ATOM 1219 CE MET A 77 -5.887 -12.721 -0.241 1.00 0.00 C ATOM 0 H MET A 77 -6.113 -7.092 2.913 1.00 0.00 H new ATOM 0 HA MET A 77 -5.591 -9.837 3.225 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.657 -8.609 1.286 1.00 0.00 H new ATOM 0 HB3 MET A 77 -5.069 -8.013 0.846 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.591 -9.868 -0.574 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.305 -10.362 0.510 1.00 0.00 H new ATOM 0 HE1 MET A 77 -6.417 -13.654 -0.051 1.00 0.00 H new ATOM 0 HE2 MET A 77 -6.150 -12.350 -1.232 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.812 -12.898 -0.193 1.00 0.00 H new ATOM 1229 N ALA A 78 -2.954 -7.924 2.661 1.00 0.00 N ATOM 1230 CA ALA A 78 -1.510 -7.846 2.785 1.00 0.00 C ATOM 1231 C ALA A 78 -1.070 -8.009 4.256 1.00 0.00 C ATOM 1232 O ALA A 78 -0.052 -8.641 4.541 1.00 0.00 O ATOM 1233 CB ALA A 78 -1.001 -6.534 2.203 1.00 0.00 C ATOM 0 H ALA A 78 -3.400 -7.041 2.411 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.071 -8.667 2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.083 -6.488 2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.272 -6.474 1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.450 -5.699 2.741 1.00 0.00 H new ATOM 1353 N LYS A 86 -0.142 -11.724 -7.129 1.00 0.00 N ATOM 1354 CA LYS A 86 -1.000 -10.656 -7.590 1.00 0.00 C ATOM 1355 C LYS A 86 -2.465 -10.995 -7.461 1.00 0.00 C ATOM 1356 O LYS A 86 -2.899 -12.118 -7.775 1.00 0.00 O ATOM 1357 CB LYS A 86 -0.740 -10.343 -9.049 1.00 0.00 C ATOM 1358 CG LYS A 86 0.559 -9.656 -9.365 1.00 0.00 C ATOM 1359 CD LYS A 86 0.642 -8.287 -8.735 1.00 0.00 C ATOM 1360 CE LYS A 86 1.837 -7.523 -9.268 1.00 0.00 C ATOM 1361 NZ LYS A 86 1.729 -7.298 -10.720 1.00 0.00 N ATOM 0 HA LYS A 86 -0.767 -9.799 -6.957 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.778 -11.276 -9.610 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.555 -9.718 -9.415 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.388 -10.269 -9.012 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.668 -9.565 -10.446 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.273 -7.731 -8.941 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.720 -8.384 -7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.916 -6.565 -8.755 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.751 -8.077 -9.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.413 -7.904 -11.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.766 -7.531 -11.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.932 -6.300 -10.933 1.00 0.00 H new ATOM 1375 N VAL A 87 -3.204 -10.039 -7.014 1.00 0.00 N ATOM 1376 CA VAL A 87 -4.611 -10.141 -6.952 1.00 0.00 C ATOM 1377 C VAL A 87 -5.124 -9.789 -8.331 1.00 0.00 C ATOM 1378 O VAL A 87 -4.864 -8.681 -8.846 1.00 0.00 O ATOM 1379 CB VAL A 87 -5.208 -9.176 -5.893 1.00 0.00 C ATOM 1380 CG1 VAL A 87 -6.727 -9.304 -5.820 1.00 0.00 C ATOM 1381 CG2 VAL A 87 -4.587 -9.436 -4.527 1.00 0.00 C ATOM 0 H VAL A 87 -2.835 -9.150 -6.676 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.907 -11.147 -6.655 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.972 -8.157 -6.198 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.115 -8.615 -5.069 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.160 -9.063 -6.791 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.993 -10.325 -5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.016 -8.751 -3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.790 -10.463 -4.225 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.510 -9.280 -4.581 1.00 0.00 H new ATOM 1391 N SER A 88 -5.761 -10.733 -8.951 1.00 0.00 N ATOM 1392 CA SER A 88 -6.291 -10.557 -10.263 1.00 0.00 C ATOM 1393 C SER A 88 -7.572 -9.715 -10.197 1.00 0.00 C ATOM 1394 O SER A 88 -8.102 -9.460 -9.104 1.00 0.00 O ATOM 1395 CB SER A 88 -6.542 -11.930 -10.883 1.00 0.00 C ATOM 1396 OG SER A 88 -5.342 -12.702 -10.890 1.00 0.00 O ATOM 0 H SER A 88 -5.928 -11.657 -8.554 1.00 0.00 H new ATOM 0 HA SER A 88 -5.581 -10.021 -10.893 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.315 -12.454 -10.321 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.912 -11.813 -11.901 1.00 0.00 H new ATOM 0 HG SER A 88 -5.520 -13.579 -11.289 1.00 0.00 H new ATOM 1402 N GLU A 89 -8.089 -9.325 -11.345 1.00 0.00 N ATOM 1403 CA GLU A 89 -9.240 -8.450 -11.413 1.00 0.00 C ATOM 1404 C GLU A 89 -10.458 -9.170 -10.838 1.00 0.00 C ATOM 1405 O GLU A 89 -11.247 -8.584 -10.099 1.00 0.00 O ATOM 1406 CB GLU A 89 -9.468 -8.038 -12.857 1.00 0.00 C ATOM 1407 CG GLU A 89 -10.449 -6.909 -13.057 1.00 0.00 C ATOM 1408 CD GLU A 89 -11.541 -7.287 -14.034 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -11.959 -8.466 -14.054 1.00 0.00 O ATOM 1410 OE2 GLU A 89 -11.960 -6.424 -14.838 1.00 0.00 O ATOM 0 H GLU A 89 -7.723 -9.606 -12.255 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.069 -7.550 -10.823 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.511 -7.747 -13.290 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.820 -8.906 -13.414 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.894 -6.639 -12.099 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.921 -6.028 -13.423 1.00 0.00 H new ATOM 1417 N GLN A 90 -10.554 -10.468 -11.119 1.00 0.00 N ATOM 1418 CA GLN A 90 -11.630 -11.284 -10.588 1.00 0.00 C ATOM 1419 C GLN A 90 -11.499 -11.460 -9.078 1.00 0.00 C ATOM 1420 O GLN A 90 -12.487 -11.669 -8.378 1.00 0.00 O ATOM 1421 CB GLN A 90 -11.777 -12.631 -11.352 1.00 0.00 C ATOM 1422 CG GLN A 90 -10.536 -13.552 -11.423 1.00 0.00 C ATOM 1423 CD GLN A 90 -10.163 -14.240 -10.112 1.00 0.00 C ATOM 1424 OE1 GLN A 90 -11.011 -14.531 -9.269 1.00 0.00 O ATOM 1425 NE2 GLN A 90 -8.899 -14.512 -9.944 1.00 0.00 N ATOM 0 H GLN A 90 -9.896 -10.973 -11.713 1.00 0.00 H new ATOM 0 HA GLN A 90 -12.565 -10.750 -10.757 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.587 -13.194 -10.888 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -12.088 -12.407 -12.372 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.714 -14.317 -12.179 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.684 -12.962 -11.761 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -8.222 -14.257 -10.663 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.587 -14.980 -9.093 1.00 0.00 H new ATOM 1434 N GLY A 91 -10.274 -11.329 -8.583 1.00 0.00 N ATOM 1435 CA GLY A 91 -10.025 -11.425 -7.168 1.00 0.00 C ATOM 1436 C GLY A 91 -10.568 -10.210 -6.479 1.00 0.00 C ATOM 1437 O GLY A 91 -11.175 -10.297 -5.417 1.00 0.00 O ATOM 0 H GLY A 91 -9.443 -11.156 -9.149 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -10.494 -12.323 -6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.955 -11.513 -6.982 1.00 0.00 H new ATOM 1441 N LEU A 92 -10.388 -9.065 -7.118 1.00 0.00 N ATOM 1442 CA LEU A 92 -10.928 -7.824 -6.611 1.00 0.00 C ATOM 1443 C LEU A 92 -12.450 -7.872 -6.663 1.00 0.00 C ATOM 1444 O LEU A 92 -13.115 -7.398 -5.766 1.00 0.00 O ATOM 1445 CB LEU A 92 -10.429 -6.632 -7.418 1.00 0.00 C ATOM 1446 CG LEU A 92 -10.937 -5.271 -6.944 1.00 0.00 C ATOM 1447 CD1 LEU A 92 -10.341 -4.895 -5.597 1.00 0.00 C ATOM 1448 CD2 LEU A 92 -10.674 -4.212 -7.974 1.00 0.00 C ATOM 0 H LEU A 92 -9.869 -8.974 -7.992 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.593 -7.703 -5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.339 -6.625 -7.391 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.722 -6.769 -8.459 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.016 -5.346 -6.811 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.723 -3.922 -5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.617 -5.644 -4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.255 -4.849 -5.680 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.045 -3.253 -7.613 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.602 -4.141 -8.157 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -11.184 -4.472 -8.902 1.00 0.00 H new ATOM 1460 N ILE A 93 -12.977 -8.461 -7.727 1.00 0.00 N ATOM 1461 CA ILE A 93 -14.419 -8.643 -7.903 1.00 0.00 C ATOM 1462 C ILE A 93 -15.005 -9.511 -6.773 1.00 0.00 C ATOM 1463 O ILE A 93 -16.095 -9.236 -6.267 1.00 0.00 O ATOM 1464 CB ILE A 93 -14.723 -9.261 -9.295 1.00 0.00 C ATOM 1465 CG1 ILE A 93 -14.406 -8.240 -10.403 1.00 0.00 C ATOM 1466 CG2 ILE A 93 -16.160 -9.760 -9.384 1.00 0.00 C ATOM 1467 CD1 ILE A 93 -14.519 -8.785 -11.812 1.00 0.00 C ATOM 0 H ILE A 93 -12.419 -8.829 -8.497 1.00 0.00 H new ATOM 0 HA ILE A 93 -14.897 -7.665 -7.853 1.00 0.00 H new ATOM 0 HB ILE A 93 -14.081 -10.131 -9.435 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -15.081 -7.391 -10.301 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -13.394 -7.863 -10.253 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -16.337 -10.186 -10.372 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -16.328 -10.523 -8.624 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -16.845 -8.928 -9.220 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -14.279 -7.998 -12.527 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -13.823 -9.615 -11.938 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -15.536 -9.135 -11.986 1.00 0.00 H new ATOM 1479 N GLU A 94 -14.241 -10.494 -6.350 1.00 0.00 N ATOM 1480 CA GLU A 94 -14.604 -11.369 -5.240 1.00 0.00 C ATOM 1481 C GLU A 94 -14.750 -10.528 -3.972 1.00 0.00 C ATOM 1482 O GLU A 94 -15.738 -10.646 -3.236 1.00 0.00 O ATOM 1483 CB GLU A 94 -13.506 -12.454 -5.118 1.00 0.00 C ATOM 1484 CG GLU A 94 -13.296 -13.104 -3.756 1.00 0.00 C ATOM 1485 CD GLU A 94 -14.506 -13.775 -3.172 1.00 0.00 C ATOM 1486 OE1 GLU A 94 -15.187 -14.542 -3.878 1.00 0.00 O ATOM 1487 OE2 GLU A 94 -14.777 -13.584 -1.973 1.00 0.00 O ATOM 0 H GLU A 94 -13.338 -10.717 -6.768 1.00 0.00 H new ATOM 0 HA GLU A 94 -15.560 -11.867 -5.404 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -13.735 -13.243 -5.834 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -12.560 -12.009 -5.426 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.498 -13.842 -3.843 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.951 -12.342 -3.057 1.00 0.00 H new ATOM 1494 N ILE A 95 -13.805 -9.647 -3.769 1.00 0.00 N ATOM 1495 CA ILE A 95 -13.830 -8.715 -2.665 1.00 0.00 C ATOM 1496 C ILE A 95 -15.024 -7.753 -2.820 1.00 0.00 C ATOM 1497 O ILE A 95 -15.830 -7.574 -1.891 1.00 0.00 O ATOM 1498 CB ILE A 95 -12.510 -7.902 -2.629 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -11.313 -8.856 -2.466 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -12.551 -6.859 -1.524 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -9.958 -8.193 -2.604 1.00 0.00 C ATOM 0 H ILE A 95 -12.986 -9.553 -4.370 1.00 0.00 H new ATOM 0 HA ILE A 95 -13.934 -9.272 -1.734 1.00 0.00 H new ATOM 0 HB ILE A 95 -12.393 -7.369 -3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.373 -9.330 -1.486 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.393 -9.649 -3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.615 -6.300 -1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -13.381 -6.175 -1.700 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -12.686 -7.353 -0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -9.173 -8.938 -2.475 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -9.872 -7.743 -3.593 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -9.852 -7.419 -1.843 1.00 0.00 H new ATOM 1513 N LEU A 96 -15.145 -7.207 -4.018 1.00 0.00 N ATOM 1514 CA LEU A 96 -16.130 -6.201 -4.371 1.00 0.00 C ATOM 1515 C LEU A 96 -17.572 -6.675 -4.147 1.00 0.00 C ATOM 1516 O LEU A 96 -18.426 -5.903 -3.705 1.00 0.00 O ATOM 1517 CB LEU A 96 -15.944 -5.768 -5.825 1.00 0.00 C ATOM 1518 CG LEU A 96 -16.734 -4.538 -6.256 1.00 0.00 C ATOM 1519 CD1 LEU A 96 -16.261 -3.303 -5.482 1.00 0.00 C ATOM 1520 CD2 LEU A 96 -16.604 -4.328 -7.754 1.00 0.00 C ATOM 0 H LEU A 96 -14.539 -7.461 -4.798 1.00 0.00 H new ATOM 0 HA LEU A 96 -15.965 -5.352 -3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -14.885 -5.574 -5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.223 -6.601 -6.471 1.00 0.00 H new ATOM 0 HG LEU A 96 -17.788 -4.696 -6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.834 -2.432 -5.801 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.409 -3.464 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.203 -3.133 -5.680 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.173 -3.446 -8.049 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.555 -4.185 -8.012 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -16.991 -5.201 -8.279 1.00 0.00 H new ATOM 1532 N LYS A 97 -17.841 -7.928 -4.460 1.00 0.00 N ATOM 1533 CA LYS A 97 -19.173 -8.490 -4.284 1.00 0.00 C ATOM 1534 C LYS A 97 -19.590 -8.502 -2.825 1.00 0.00 C ATOM 1535 O LYS A 97 -20.734 -8.175 -2.489 1.00 0.00 O ATOM 1536 CB LYS A 97 -19.257 -9.899 -4.864 1.00 0.00 C ATOM 1537 CG LYS A 97 -19.181 -9.941 -6.373 1.00 0.00 C ATOM 1538 CD LYS A 97 -19.231 -11.365 -6.888 1.00 0.00 C ATOM 1539 CE LYS A 97 -19.320 -11.398 -8.405 1.00 0.00 C ATOM 1540 NZ LYS A 97 -20.547 -10.727 -8.892 1.00 0.00 N ATOM 0 H LYS A 97 -17.155 -8.581 -4.839 1.00 0.00 H new ATOM 0 HA LYS A 97 -19.864 -7.846 -4.828 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -18.447 -10.501 -4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -20.192 -10.359 -4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -20.007 -9.370 -6.797 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -18.259 -9.464 -6.706 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -18.342 -11.904 -6.561 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -20.091 -11.880 -6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -18.444 -10.911 -8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -19.309 -12.432 -8.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -20.767 -11.060 -9.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -21.340 -10.951 -8.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -20.397 -9.698 -8.908 1.00 0.00 H new ATOM 1554 N LYS A 98 -18.680 -8.878 -1.966 1.00 0.00 N ATOM 1555 CA LYS A 98 -18.950 -8.947 -0.549 1.00 0.00 C ATOM 1556 C LYS A 98 -19.074 -7.573 0.035 1.00 0.00 C ATOM 1557 O LYS A 98 -20.011 -7.293 0.777 1.00 0.00 O ATOM 1558 CB LYS A 98 -17.861 -9.710 0.119 1.00 0.00 C ATOM 1559 CG LYS A 98 -17.678 -11.046 -0.508 1.00 0.00 C ATOM 1560 CD LYS A 98 -16.513 -11.781 0.046 1.00 0.00 C ATOM 1561 CE LYS A 98 -15.205 -11.031 -0.107 1.00 0.00 C ATOM 1562 NZ LYS A 98 -14.069 -11.928 0.138 1.00 0.00 N ATOM 0 H LYS A 98 -17.731 -9.145 -2.226 1.00 0.00 H new ATOM 0 HA LYS A 98 -19.898 -9.460 -0.387 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -16.930 -9.147 0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -18.094 -9.831 1.177 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -18.581 -11.639 -0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -17.548 -10.924 -1.583 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.688 -11.982 1.103 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -16.431 -12.747 -0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -15.135 -10.611 -1.110 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -15.174 -10.195 0.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.268 -11.380 0.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -14.344 -12.655 0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.789 -12.385 -0.753 1.00 0.00 H new ATOM 1576 N VAL A 99 -18.137 -6.704 -0.314 1.00 0.00 N ATOM 1577 CA VAL A 99 -18.186 -5.299 0.163 1.00 0.00 C ATOM 1578 C VAL A 99 -19.433 -4.564 -0.345 1.00 0.00 C ATOM 1579 O VAL A 99 -19.872 -3.597 0.265 1.00 0.00 O ATOM 1580 CB VAL A 99 -16.916 -4.441 -0.147 1.00 0.00 C ATOM 1581 CG1 VAL A 99 -15.653 -5.042 0.446 1.00 0.00 C ATOM 1582 CG2 VAL A 99 -16.744 -4.202 -1.620 1.00 0.00 C ATOM 0 H VAL A 99 -17.342 -6.925 -0.913 1.00 0.00 H new ATOM 0 HA VAL A 99 -18.227 -5.403 1.247 1.00 0.00 H new ATOM 0 HB VAL A 99 -17.080 -3.477 0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.800 -4.409 0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -15.757 -5.111 1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -15.495 -6.038 0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -15.850 -3.602 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -16.643 -5.158 -2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -17.615 -3.673 -2.007 1.00 0.00 H new ATOM 1592 N SER A 100 -20.007 -5.027 -1.458 1.00 0.00 N ATOM 1593 CA SER A 100 -21.220 -4.438 -1.993 1.00 0.00 C ATOM 1594 C SER A 100 -22.387 -4.646 -1.006 1.00 0.00 C ATOM 1595 O SER A 100 -23.364 -3.890 -0.999 1.00 0.00 O ATOM 1596 CB SER A 100 -21.545 -5.006 -3.386 1.00 0.00 C ATOM 1597 OG SER A 100 -22.540 -4.224 -4.048 1.00 0.00 O ATOM 0 H SER A 100 -19.644 -5.810 -2.002 1.00 0.00 H new ATOM 0 HA SER A 100 -21.065 -3.366 -2.115 1.00 0.00 H new ATOM 0 HB2 SER A 100 -20.638 -5.032 -3.991 1.00 0.00 H new ATOM 0 HB3 SER A 100 -21.893 -6.034 -3.289 1.00 0.00 H new ATOM 0 HG SER A 100 -22.724 -4.608 -4.931 1.00 0.00 H new