USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=9 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 73 TYR OH : rot 30:sc= 0.172 USER MOD Set 1.2: A 98 LYS NZ :NH3+ -124:sc= 0.241 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 46 GLN : amide:sc= -0.0617 X(o=-0.062,f=-0.062) USER MOD Single : A 50 GLN : amide:sc= -0.716 K(o=-0.72,f=-1.5) USER MOD Single : A 51 SER OG : rot 77:sc= 0.0669 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.307 X(o=-0.31,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -167:sc= -0.391 (180deg=-0.993!) USER MOD Single : A 67 THR OG1 : rot -96:sc= -0.189 USER MOD Single : A 68 LYS NZ :NH3+ 173:sc= 1.23 (180deg=1.12) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-5.7e-05) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0.054) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0.603 K(o=0.6,f=-0.11) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 71:sc= 0.715 USER MOD ----------------------------------------------------------------- ATOM 21 N ALA A 2 14.779 7.273 35.580 1.00 0.00 N ATOM 22 CA ALA A 2 14.143 6.444 34.541 1.00 0.00 C ATOM 23 C ALA A 2 13.615 7.235 33.346 1.00 0.00 C ATOM 24 O ALA A 2 14.124 7.101 32.228 1.00 0.00 O ATOM 25 CB ALA A 2 13.034 5.608 35.147 1.00 0.00 C ATOM 0 HA ALA A 2 14.930 5.800 34.148 1.00 0.00 H new ATOM 0 HB1 ALA A 2 12.571 4.999 34.370 1.00 0.00 H new ATOM 0 HB2 ALA A 2 13.448 4.958 35.918 1.00 0.00 H new ATOM 0 HB3 ALA A 2 12.284 6.264 35.589 1.00 0.00 H new ATOM 31 N ASP A 3 12.635 8.078 33.583 1.00 0.00 N ATOM 32 CA ASP A 3 11.994 8.854 32.507 1.00 0.00 C ATOM 33 C ASP A 3 12.951 9.900 31.938 1.00 0.00 C ATOM 34 O ASP A 3 12.871 10.276 30.767 1.00 0.00 O ATOM 35 CB ASP A 3 10.696 9.506 33.006 1.00 0.00 C ATOM 36 CG ASP A 3 10.034 10.385 31.965 1.00 0.00 C ATOM 37 OD1 ASP A 3 9.480 9.864 30.986 1.00 0.00 O ATOM 38 OD2 ASP A 3 10.040 11.625 32.131 1.00 0.00 O ATOM 0 H ASP A 3 12.252 8.255 34.512 1.00 0.00 H new ATOM 0 HA ASP A 3 11.739 8.166 31.701 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.998 8.726 33.311 1.00 0.00 H new ATOM 0 HB3 ASP A 3 10.913 10.103 33.892 1.00 0.00 H new ATOM 43 N GLU A 4 13.881 10.303 32.761 1.00 0.00 N ATOM 44 CA GLU A 4 14.902 11.276 32.410 1.00 0.00 C ATOM 45 C GLU A 4 15.883 10.677 31.389 1.00 0.00 C ATOM 46 O GLU A 4 16.180 11.291 30.345 1.00 0.00 O ATOM 47 CB GLU A 4 15.572 11.741 33.719 1.00 0.00 C ATOM 48 CG GLU A 4 16.828 12.587 33.614 1.00 0.00 C ATOM 49 CD GLU A 4 18.084 11.750 33.504 1.00 0.00 C ATOM 50 OE1 GLU A 4 18.433 11.071 34.485 1.00 0.00 O ATOM 51 OE2 GLU A 4 18.752 11.770 32.449 1.00 0.00 O ATOM 0 H GLU A 4 13.959 9.961 33.719 1.00 0.00 H new ATOM 0 HA GLU A 4 14.475 12.150 31.918 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.835 12.307 34.289 1.00 0.00 H new ATOM 0 HB3 GLU A 4 15.815 10.854 34.304 1.00 0.00 H new ATOM 0 HG2 GLU A 4 16.752 13.238 32.743 1.00 0.00 H new ATOM 0 HG3 GLU A 4 16.901 13.233 34.489 1.00 0.00 H new ATOM 58 N GLU A 5 16.346 9.475 31.671 1.00 0.00 N ATOM 59 CA GLU A 5 17.220 8.760 30.771 1.00 0.00 C ATOM 60 C GLU A 5 16.440 8.307 29.539 1.00 0.00 C ATOM 61 O GLU A 5 16.978 8.245 28.429 1.00 0.00 O ATOM 62 CB GLU A 5 17.883 7.573 31.479 1.00 0.00 C ATOM 63 CG GLU A 5 18.844 7.977 32.594 1.00 0.00 C ATOM 64 CD GLU A 5 19.461 6.792 33.300 1.00 0.00 C ATOM 65 OE1 GLU A 5 20.398 6.175 32.754 1.00 0.00 O ATOM 66 OE2 GLU A 5 19.036 6.462 34.414 1.00 0.00 O ATOM 0 H GLU A 5 16.126 8.970 32.529 1.00 0.00 H new ATOM 0 HA GLU A 5 18.016 9.431 30.447 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.107 6.932 31.896 1.00 0.00 H new ATOM 0 HB3 GLU A 5 18.425 6.980 30.743 1.00 0.00 H new ATOM 0 HG2 GLU A 5 19.637 8.597 32.176 1.00 0.00 H new ATOM 0 HG3 GLU A 5 18.311 8.589 33.321 1.00 0.00 H new ATOM 73 N LEU A 6 15.168 8.005 29.737 1.00 0.00 N ATOM 74 CA LEU A 6 14.276 7.634 28.646 1.00 0.00 C ATOM 75 C LEU A 6 14.134 8.806 27.669 1.00 0.00 C ATOM 76 O LEU A 6 14.152 8.618 26.456 1.00 0.00 O ATOM 77 CB LEU A 6 12.901 7.236 29.201 1.00 0.00 C ATOM 78 CG LEU A 6 11.859 6.761 28.182 1.00 0.00 C ATOM 79 CD1 LEU A 6 12.321 5.492 27.485 1.00 0.00 C ATOM 80 CD2 LEU A 6 10.515 6.547 28.862 1.00 0.00 C ATOM 0 H LEU A 6 14.723 8.009 30.655 1.00 0.00 H new ATOM 0 HA LEU A 6 14.698 6.781 28.115 1.00 0.00 H new ATOM 0 HB2 LEU A 6 13.047 6.443 29.934 1.00 0.00 H new ATOM 0 HB3 LEU A 6 12.489 8.092 29.735 1.00 0.00 H new ATOM 0 HG LEU A 6 11.742 7.535 27.423 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.565 5.175 26.767 1.00 0.00 H new ATOM 0 HD12 LEU A 6 13.259 5.684 26.963 1.00 0.00 H new ATOM 0 HD13 LEU A 6 12.472 4.705 28.224 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.785 6.210 28.126 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.618 5.793 29.643 1.00 0.00 H new ATOM 0 HD23 LEU A 6 10.178 7.484 29.305 1.00 0.00 H new ATOM 92 N GLU A 7 14.046 10.014 28.226 1.00 0.00 N ATOM 93 CA GLU A 7 13.927 11.260 27.456 1.00 0.00 C ATOM 94 C GLU A 7 15.160 11.374 26.568 1.00 0.00 C ATOM 95 O GLU A 7 15.066 11.578 25.363 1.00 0.00 O ATOM 96 CB GLU A 7 13.869 12.442 28.451 1.00 0.00 C ATOM 97 CG GLU A 7 13.082 13.687 28.016 1.00 0.00 C ATOM 98 CD GLU A 7 13.768 14.576 27.017 1.00 0.00 C ATOM 99 OE1 GLU A 7 13.748 14.287 25.821 1.00 0.00 O ATOM 100 OE2 GLU A 7 14.312 15.630 27.429 1.00 0.00 O ATOM 0 H GLU A 7 14.055 10.160 29.235 1.00 0.00 H new ATOM 0 HA GLU A 7 13.028 11.269 26.840 1.00 0.00 H new ATOM 0 HB2 GLU A 7 13.437 12.078 29.383 1.00 0.00 H new ATOM 0 HB3 GLU A 7 14.891 12.749 28.672 1.00 0.00 H new ATOM 0 HG2 GLU A 7 12.131 13.364 27.594 1.00 0.00 H new ATOM 0 HG3 GLU A 7 12.853 14.278 28.903 1.00 0.00 H new ATOM 107 N ALA A 8 16.311 11.143 27.182 1.00 0.00 N ATOM 108 CA ALA A 8 17.598 11.214 26.514 1.00 0.00 C ATOM 109 C ALA A 8 17.694 10.221 25.354 1.00 0.00 C ATOM 110 O ALA A 8 18.210 10.548 24.279 1.00 0.00 O ATOM 111 CB ALA A 8 18.715 10.974 27.512 1.00 0.00 C ATOM 0 H ALA A 8 16.376 10.898 28.170 1.00 0.00 H new ATOM 0 HA ALA A 8 17.700 12.214 26.094 1.00 0.00 H new ATOM 0 HB1 ALA A 8 19.677 11.029 27.002 1.00 0.00 H new ATOM 0 HB2 ALA A 8 18.674 11.733 28.293 1.00 0.00 H new ATOM 0 HB3 ALA A 8 18.598 9.987 27.959 1.00 0.00 H new ATOM 117 N LEU A 9 17.169 9.034 25.554 1.00 0.00 N ATOM 118 CA LEU A 9 17.241 7.999 24.549 1.00 0.00 C ATOM 119 C LEU A 9 16.231 8.300 23.428 1.00 0.00 C ATOM 120 O LEU A 9 16.493 8.047 22.246 1.00 0.00 O ATOM 121 CB LEU A 9 16.978 6.627 25.187 1.00 0.00 C ATOM 122 CG LEU A 9 17.773 5.425 24.626 1.00 0.00 C ATOM 123 CD1 LEU A 9 17.447 4.175 25.408 1.00 0.00 C ATOM 124 CD2 LEU A 9 17.515 5.198 23.143 1.00 0.00 C ATOM 0 H LEU A 9 16.685 8.760 26.409 1.00 0.00 H new ATOM 0 HA LEU A 9 18.240 7.978 24.113 1.00 0.00 H new ATOM 0 HB2 LEU A 9 17.189 6.704 26.254 1.00 0.00 H new ATOM 0 HB3 LEU A 9 15.915 6.406 25.087 1.00 0.00 H new ATOM 0 HG LEU A 9 18.832 5.660 24.736 1.00 0.00 H new ATOM 0 HD11 LEU A 9 18.013 3.335 25.004 1.00 0.00 H new ATOM 0 HD12 LEU A 9 17.713 4.321 26.455 1.00 0.00 H new ATOM 0 HD13 LEU A 9 16.380 3.965 25.330 1.00 0.00 H new ATOM 0 HD21 LEU A 9 18.097 4.343 22.799 1.00 0.00 H new ATOM 0 HD22 LEU A 9 16.454 5.003 22.984 1.00 0.00 H new ATOM 0 HD23 LEU A 9 17.809 6.086 22.583 1.00 0.00 H new ATOM 136 N ARG A 10 15.101 8.882 23.792 1.00 0.00 N ATOM 137 CA ARG A 10 14.091 9.238 22.818 1.00 0.00 C ATOM 138 C ARG A 10 14.605 10.374 21.930 1.00 0.00 C ATOM 139 O ARG A 10 14.282 10.455 20.746 1.00 0.00 O ATOM 140 CB ARG A 10 12.777 9.610 23.497 1.00 0.00 C ATOM 141 CG ARG A 10 11.620 9.779 22.534 1.00 0.00 C ATOM 142 CD ARG A 10 10.331 10.058 23.266 1.00 0.00 C ATOM 143 NE ARG A 10 9.192 10.121 22.358 1.00 0.00 N ATOM 144 CZ ARG A 10 7.915 10.157 22.729 1.00 0.00 C ATOM 145 NH1 ARG A 10 7.589 10.109 24.022 1.00 0.00 N ATOM 146 NH2 ARG A 10 6.965 10.215 21.804 1.00 0.00 N ATOM 0 H ARG A 10 14.863 9.117 24.756 1.00 0.00 H new ATOM 0 HA ARG A 10 13.890 8.371 22.188 1.00 0.00 H new ATOM 0 HB2 ARG A 10 12.523 8.839 24.224 1.00 0.00 H new ATOM 0 HB3 ARG A 10 12.915 10.538 24.052 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.834 10.597 21.846 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.511 8.877 21.932 1.00 0.00 H new ATOM 0 HD2 ARG A 10 10.160 9.279 24.009 1.00 0.00 H new ATOM 0 HD3 ARG A 10 10.417 11.001 23.806 1.00 0.00 H new ATOM 0 HE ARG A 10 9.390 10.139 21.358 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.320 10.044 24.730 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.609 10.137 24.302 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.216 10.232 20.816 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.984 10.243 22.082 1.00 0.00 H new ATOM 160 N ARG A 11 15.448 11.225 22.504 1.00 0.00 N ATOM 161 CA ARG A 11 16.119 12.283 21.748 1.00 0.00 C ATOM 162 C ARG A 11 17.009 11.666 20.674 1.00 0.00 C ATOM 163 O ARG A 11 17.103 12.182 19.556 1.00 0.00 O ATOM 164 CB ARG A 11 16.985 13.148 22.656 1.00 0.00 C ATOM 165 CG ARG A 11 16.241 13.927 23.715 1.00 0.00 C ATOM 166 CD ARG A 11 17.232 14.605 24.622 1.00 0.00 C ATOM 167 NE ARG A 11 16.628 15.362 25.699 1.00 0.00 N ATOM 168 CZ ARG A 11 17.304 16.210 26.478 1.00 0.00 C ATOM 169 NH1 ARG A 11 18.570 16.522 26.187 1.00 0.00 N ATOM 170 NH2 ARG A 11 16.712 16.748 27.523 1.00 0.00 N ATOM 0 H ARG A 11 15.686 11.205 23.496 1.00 0.00 H new ATOM 0 HA ARG A 11 15.348 12.906 21.294 1.00 0.00 H new ATOM 0 HB2 ARG A 11 17.717 12.508 23.148 1.00 0.00 H new ATOM 0 HB3 ARG A 11 17.541 13.851 22.036 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.591 14.668 23.249 1.00 0.00 H new ATOM 0 HG3 ARG A 11 15.601 13.259 24.291 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.893 13.850 25.049 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.854 15.274 24.027 1.00 0.00 H new ATOM 0 HE ARG A 11 15.630 15.240 25.872 1.00 0.00 H new ATOM 0 HH11 ARG A 11 19.021 16.112 25.369 1.00 0.00 H new ATOM 0 HH12 ARG A 11 19.085 17.170 26.783 1.00 0.00 H new ATOM 0 HH21 ARG A 11 15.741 16.517 27.735 1.00 0.00 H new ATOM 0 HH22 ARG A 11 17.224 17.396 28.121 1.00 0.00 H new ATOM 184 N GLN A 12 17.649 10.553 21.013 1.00 0.00 N ATOM 185 CA GLN A 12 18.502 9.852 20.077 1.00 0.00 C ATOM 186 C GLN A 12 17.640 9.272 18.960 1.00 0.00 C ATOM 187 O GLN A 12 18.003 9.324 17.789 1.00 0.00 O ATOM 188 CB GLN A 12 19.293 8.748 20.774 1.00 0.00 C ATOM 189 CG GLN A 12 20.340 8.088 19.890 1.00 0.00 C ATOM 190 CD GLN A 12 21.039 6.940 20.575 1.00 0.00 C ATOM 191 OE1 GLN A 12 20.459 6.251 21.408 1.00 0.00 O ATOM 192 NE2 GLN A 12 22.285 6.736 20.259 1.00 0.00 N ATOM 0 H GLN A 12 17.589 10.120 21.934 1.00 0.00 H new ATOM 0 HA GLN A 12 19.223 10.553 19.657 1.00 0.00 H new ATOM 0 HB2 GLN A 12 19.785 9.166 21.652 1.00 0.00 H new ATOM 0 HB3 GLN A 12 18.599 7.986 21.129 1.00 0.00 H new ATOM 0 HG2 GLN A 12 19.864 7.727 18.978 1.00 0.00 H new ATOM 0 HG3 GLN A 12 21.079 8.832 19.591 1.00 0.00 H new ATOM 0 HE21 GLN A 12 22.738 7.327 19.562 1.00 0.00 H new ATOM 0 HE22 GLN A 12 22.809 5.985 20.708 1.00 0.00 H new ATOM 201 N ARG A 13 16.469 8.761 19.333 1.00 0.00 N ATOM 202 CA ARG A 13 15.509 8.239 18.367 1.00 0.00 C ATOM 203 C ARG A 13 15.076 9.342 17.410 1.00 0.00 C ATOM 204 O ARG A 13 14.946 9.118 16.212 1.00 0.00 O ATOM 205 CB ARG A 13 14.272 7.650 19.063 1.00 0.00 C ATOM 206 CG ARG A 13 14.543 6.444 19.947 1.00 0.00 C ATOM 207 CD ARG A 13 15.146 5.307 19.149 1.00 0.00 C ATOM 208 NE ARG A 13 15.289 4.081 19.933 1.00 0.00 N ATOM 209 CZ ARG A 13 15.667 2.903 19.427 1.00 0.00 C ATOM 210 NH1 ARG A 13 16.081 2.820 18.167 1.00 0.00 N ATOM 211 NH2 ARG A 13 15.669 1.822 20.193 1.00 0.00 N ATOM 0 H ARG A 13 16.162 8.698 20.304 1.00 0.00 H new ATOM 0 HA ARG A 13 16.001 7.441 17.811 1.00 0.00 H new ATOM 0 HB2 ARG A 13 13.810 8.429 19.669 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.546 7.367 18.301 1.00 0.00 H new ATOM 0 HG2 ARG A 13 15.220 6.725 20.754 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.614 6.114 20.411 1.00 0.00 H new ATOM 0 HD2 ARG A 13 14.520 5.107 18.280 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.124 5.610 18.774 1.00 0.00 H new ATOM 0 HE ARG A 13 15.087 4.128 20.932 1.00 0.00 H new ATOM 0 HH11 ARG A 13 16.111 3.656 17.584 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.369 1.920 17.783 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.382 1.888 21.170 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.958 0.923 19.806 1.00 0.00 H new ATOM 225 N LEU A 14 14.897 10.530 17.955 1.00 0.00 N ATOM 226 CA LEU A 14 14.494 11.709 17.210 1.00 0.00 C ATOM 227 C LEU A 14 15.489 11.992 16.083 1.00 0.00 C ATOM 228 O LEU A 14 15.085 12.222 14.947 1.00 0.00 O ATOM 229 CB LEU A 14 14.355 12.906 18.200 1.00 0.00 C ATOM 230 CG LEU A 14 13.789 14.262 17.698 1.00 0.00 C ATOM 231 CD1 LEU A 14 13.459 15.130 18.894 1.00 0.00 C ATOM 232 CD2 LEU A 14 14.788 15.015 16.829 1.00 0.00 C ATOM 0 H LEU A 14 15.031 10.707 18.951 1.00 0.00 H new ATOM 0 HA LEU A 14 13.526 11.547 16.736 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.722 12.575 19.024 1.00 0.00 H new ATOM 0 HB3 LEU A 14 15.344 13.100 18.616 1.00 0.00 H new ATOM 0 HG LEU A 14 12.904 14.048 17.099 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.061 16.085 18.552 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.716 14.628 19.514 1.00 0.00 H new ATOM 0 HD13 LEU A 14 14.363 15.302 19.479 1.00 0.00 H new ATOM 0 HD21 LEU A 14 14.348 15.957 16.501 1.00 0.00 H new ATOM 0 HD22 LEU A 14 15.691 15.217 17.405 1.00 0.00 H new ATOM 0 HD23 LEU A 14 15.041 14.410 15.958 1.00 0.00 H new ATOM 656 N ILE A 43 1.955 -1.721 -1.502 1.00 0.00 N ATOM 657 CA ILE A 43 1.442 -3.042 -1.122 1.00 0.00 C ATOM 658 C ILE A 43 0.172 -3.372 -1.896 1.00 0.00 C ATOM 659 O ILE A 43 -0.041 -4.515 -2.291 1.00 0.00 O ATOM 660 CB ILE A 43 1.240 -3.275 0.415 1.00 0.00 C ATOM 661 CG1 ILE A 43 0.080 -2.447 0.998 1.00 0.00 C ATOM 662 CG2 ILE A 43 2.539 -2.989 1.167 1.00 0.00 C ATOM 663 CD1 ILE A 43 -0.242 -2.781 2.443 1.00 0.00 C ATOM 0 HA ILE A 43 2.236 -3.735 -1.399 1.00 0.00 H new ATOM 0 HB ILE A 43 0.969 -4.323 0.547 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.329 -1.388 0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.810 -2.607 0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.386 -3.154 2.233 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.323 -3.655 0.805 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.836 -1.954 0.999 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.069 -2.158 2.785 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.523 -3.831 2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.634 -2.593 3.064 1.00 0.00 H new ATOM 675 N LEU A 44 -0.668 -2.355 -2.129 1.00 0.00 N ATOM 676 CA LEU A 44 -1.892 -2.528 -2.912 1.00 0.00 C ATOM 677 C LEU A 44 -1.555 -2.970 -4.333 1.00 0.00 C ATOM 678 O LEU A 44 -2.257 -3.780 -4.926 1.00 0.00 O ATOM 679 CB LEU A 44 -2.723 -1.238 -2.937 1.00 0.00 C ATOM 680 CG LEU A 44 -3.295 -0.762 -1.594 1.00 0.00 C ATOM 681 CD1 LEU A 44 -4.010 0.568 -1.766 1.00 0.00 C ATOM 682 CD2 LEU A 44 -4.254 -1.799 -1.017 1.00 0.00 C ATOM 0 H LEU A 44 -0.520 -1.406 -1.786 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.490 -3.304 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.102 -0.440 -3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.553 -1.381 -3.629 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.466 -0.631 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.410 0.893 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.307 1.314 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.826 0.453 -2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.647 -1.441 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.078 -1.960 -1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.723 -2.738 -0.860 1.00 0.00 H new ATOM 694 N ALA A 45 -0.466 -2.452 -4.853 1.00 0.00 N ATOM 695 CA ALA A 45 0.021 -2.804 -6.171 1.00 0.00 C ATOM 696 C ALA A 45 0.631 -4.214 -6.183 1.00 0.00 C ATOM 697 O ALA A 45 0.815 -4.814 -7.245 1.00 0.00 O ATOM 698 CB ALA A 45 1.027 -1.764 -6.650 1.00 0.00 C ATOM 0 H ALA A 45 0.114 -1.767 -4.369 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.824 -2.813 -6.860 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.388 -2.037 -7.642 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.547 -0.787 -6.695 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.867 -1.724 -5.957 1.00 0.00 H new ATOM 704 N GLN A 46 0.973 -4.727 -5.007 1.00 0.00 N ATOM 705 CA GLN A 46 1.544 -6.070 -4.895 1.00 0.00 C ATOM 706 C GLN A 46 0.443 -7.101 -4.807 1.00 0.00 C ATOM 707 O GLN A 46 0.573 -8.204 -5.318 1.00 0.00 O ATOM 708 CB GLN A 46 2.433 -6.224 -3.653 1.00 0.00 C ATOM 709 CG GLN A 46 3.555 -5.218 -3.517 1.00 0.00 C ATOM 710 CD GLN A 46 4.411 -5.106 -4.752 1.00 0.00 C ATOM 711 OE1 GLN A 46 5.380 -5.834 -4.926 1.00 0.00 O ATOM 712 NE2 GLN A 46 4.097 -4.159 -5.584 1.00 0.00 N ATOM 0 H GLN A 46 0.867 -4.238 -4.118 1.00 0.00 H new ATOM 0 HA GLN A 46 2.152 -6.222 -5.786 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.802 -6.158 -2.767 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.866 -7.224 -3.661 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.131 -4.240 -3.288 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.184 -5.498 -2.672 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.282 -3.573 -5.405 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.666 -4.002 -6.416 1.00 0.00 H new ATOM 721 N VAL A 47 -0.617 -6.755 -4.126 1.00 0.00 N ATOM 722 CA VAL A 47 -1.726 -7.670 -3.948 1.00 0.00 C ATOM 723 C VAL A 47 -2.675 -7.644 -5.134 1.00 0.00 C ATOM 724 O VAL A 47 -3.247 -8.665 -5.510 1.00 0.00 O ATOM 725 CB VAL A 47 -2.468 -7.445 -2.580 1.00 0.00 C ATOM 726 CG1 VAL A 47 -2.910 -6.006 -2.410 1.00 0.00 C ATOM 727 CG2 VAL A 47 -3.655 -8.390 -2.409 1.00 0.00 C ATOM 0 H VAL A 47 -0.741 -5.845 -3.682 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.306 -8.675 -3.905 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.744 -7.673 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.418 -5.892 -1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.038 -5.352 -2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.592 -5.737 -3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.137 -8.199 -1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.371 -8.225 -3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.306 -9.422 -2.440 1.00 0.00 H new ATOM 737 N LEU A 48 -2.813 -6.516 -5.741 1.00 0.00 N ATOM 738 CA LEU A 48 -3.688 -6.403 -6.855 1.00 0.00 C ATOM 739 C LEU A 48 -2.916 -6.349 -8.132 1.00 0.00 C ATOM 740 O LEU A 48 -2.010 -5.525 -8.294 1.00 0.00 O ATOM 741 CB LEU A 48 -4.572 -5.183 -6.717 1.00 0.00 C ATOM 742 CG LEU A 48 -5.520 -5.194 -5.517 1.00 0.00 C ATOM 743 CD1 LEU A 48 -6.157 -3.840 -5.335 1.00 0.00 C ATOM 744 CD2 LEU A 48 -6.589 -6.269 -5.685 1.00 0.00 C ATOM 0 H LEU A 48 -2.329 -5.656 -5.483 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.324 -7.288 -6.878 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.936 -4.300 -6.649 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.165 -5.080 -7.626 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.939 -5.425 -4.624 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.828 -3.866 -4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.382 -3.093 -5.166 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.722 -3.581 -6.230 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.253 -6.260 -4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.166 -6.070 -6.588 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.113 -7.246 -5.767 1.00 0.00 H new ATOM 756 N ASP A 49 -3.268 -7.233 -9.022 1.00 0.00 N ATOM 757 CA ASP A 49 -2.716 -7.295 -10.357 1.00 0.00 C ATOM 758 C ASP A 49 -3.025 -5.994 -11.086 1.00 0.00 C ATOM 759 O ASP A 49 -3.945 -5.255 -10.695 1.00 0.00 O ATOM 760 CB ASP A 49 -3.335 -8.497 -11.111 1.00 0.00 C ATOM 761 CG ASP A 49 -2.945 -8.593 -12.571 1.00 0.00 C ATOM 762 OD1 ASP A 49 -3.635 -7.996 -13.428 1.00 0.00 O ATOM 763 OD2 ASP A 49 -1.941 -9.240 -12.891 1.00 0.00 O ATOM 0 H ASP A 49 -3.966 -7.954 -8.839 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.635 -7.427 -10.310 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.038 -9.417 -10.608 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.421 -8.432 -11.042 1.00 0.00 H new ATOM 768 N GLN A 50 -2.274 -5.733 -12.126 1.00 0.00 N ATOM 769 CA GLN A 50 -2.408 -4.544 -12.969 1.00 0.00 C ATOM 770 C GLN A 50 -3.883 -4.309 -13.371 1.00 0.00 C ATOM 771 O GLN A 50 -4.366 -3.162 -13.345 1.00 0.00 O ATOM 772 CB GLN A 50 -1.499 -4.728 -14.219 1.00 0.00 C ATOM 773 CG GLN A 50 -1.373 -3.527 -15.173 1.00 0.00 C ATOM 774 CD GLN A 50 -2.607 -3.240 -16.029 1.00 0.00 C ATOM 775 OE1 GLN A 50 -3.362 -4.145 -16.392 1.00 0.00 O ATOM 776 NE2 GLN A 50 -2.820 -1.992 -16.350 1.00 0.00 N ATOM 0 H GLN A 50 -1.525 -6.355 -12.430 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.092 -3.660 -12.416 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.499 -4.994 -13.875 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.876 -5.576 -14.790 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.145 -2.639 -14.584 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.524 -3.697 -15.835 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.176 -1.267 -16.034 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.630 -1.742 -16.917 1.00 0.00 H new ATOM 785 N SER A 51 -4.604 -5.389 -13.658 1.00 0.00 N ATOM 786 CA SER A 51 -5.976 -5.275 -14.113 1.00 0.00 C ATOM 787 C SER A 51 -6.885 -4.857 -12.953 1.00 0.00 C ATOM 788 O SER A 51 -7.797 -4.053 -13.116 1.00 0.00 O ATOM 789 CB SER A 51 -6.450 -6.596 -14.725 1.00 0.00 C ATOM 790 OG SER A 51 -5.545 -7.043 -15.734 1.00 0.00 O ATOM 0 H SER A 51 -4.259 -6.346 -13.583 1.00 0.00 H new ATOM 0 HA SER A 51 -6.026 -4.507 -14.885 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.535 -7.353 -13.945 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.444 -6.467 -15.153 1.00 0.00 H new ATOM 0 HG SER A 51 -4.752 -7.435 -15.312 1.00 0.00 H new ATOM 796 N ALA A 52 -6.580 -5.355 -11.767 1.00 0.00 N ATOM 797 CA ALA A 52 -7.368 -5.044 -10.601 1.00 0.00 C ATOM 798 C ALA A 52 -7.095 -3.617 -10.155 1.00 0.00 C ATOM 799 O ALA A 52 -7.997 -2.918 -9.736 1.00 0.00 O ATOM 800 CB ALA A 52 -7.089 -6.024 -9.487 1.00 0.00 C ATOM 0 H ALA A 52 -5.790 -5.976 -11.593 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.424 -5.130 -10.859 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.695 -5.769 -8.618 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.337 -7.032 -9.819 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.033 -5.979 -9.219 1.00 0.00 H new ATOM 806 N ARG A 53 -5.844 -3.176 -10.287 1.00 0.00 N ATOM 807 CA ARG A 53 -5.484 -1.791 -9.958 1.00 0.00 C ATOM 808 C ARG A 53 -6.237 -0.823 -10.867 1.00 0.00 C ATOM 809 O ARG A 53 -6.727 0.214 -10.420 1.00 0.00 O ATOM 810 CB ARG A 53 -3.965 -1.545 -10.044 1.00 0.00 C ATOM 811 CG ARG A 53 -3.132 -2.280 -8.993 1.00 0.00 C ATOM 812 CD ARG A 53 -3.507 -1.861 -7.570 1.00 0.00 C ATOM 813 NE ARG A 53 -3.275 -0.432 -7.312 1.00 0.00 N ATOM 814 CZ ARG A 53 -3.948 0.315 -6.413 1.00 0.00 C ATOM 815 NH1 ARG A 53 -4.976 -0.202 -5.749 1.00 0.00 N ATOM 816 NH2 ARG A 53 -3.594 1.578 -6.190 1.00 0.00 N ATOM 0 H ARG A 53 -5.067 -3.749 -10.616 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.776 -1.614 -8.923 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.619 -1.843 -11.034 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.779 -0.475 -9.950 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.275 -3.355 -9.104 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.074 -2.079 -9.163 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.558 -2.090 -7.395 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.929 -2.451 -6.859 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.547 0.031 -7.856 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.259 -1.167 -5.918 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.482 0.366 -5.070 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.810 1.986 -6.700 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.106 2.139 -5.509 1.00 0.00 H new ATOM 830 N ALA A 54 -6.367 -1.200 -12.132 1.00 0.00 N ATOM 831 CA ALA A 54 -7.114 -0.411 -13.099 1.00 0.00 C ATOM 832 C ALA A 54 -8.599 -0.409 -12.736 1.00 0.00 C ATOM 833 O ALA A 54 -9.300 0.604 -12.901 1.00 0.00 O ATOM 834 CB ALA A 54 -6.910 -0.962 -14.502 1.00 0.00 C ATOM 0 H ALA A 54 -5.961 -2.054 -12.513 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.746 0.615 -13.076 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.475 -0.361 -15.215 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.851 -0.926 -14.757 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.258 -1.994 -14.542 1.00 0.00 H new ATOM 840 N ARG A 55 -9.062 -1.538 -12.212 1.00 0.00 N ATOM 841 CA ARG A 55 -10.439 -1.711 -11.807 1.00 0.00 C ATOM 842 C ARG A 55 -10.746 -0.819 -10.594 1.00 0.00 C ATOM 843 O ARG A 55 -11.834 -0.264 -10.488 1.00 0.00 O ATOM 844 CB ARG A 55 -10.699 -3.179 -11.468 1.00 0.00 C ATOM 845 CG ARG A 55 -12.151 -3.590 -11.527 1.00 0.00 C ATOM 846 CD ARG A 55 -12.643 -3.539 -12.958 1.00 0.00 C ATOM 847 NE ARG A 55 -14.036 -3.943 -13.114 1.00 0.00 N ATOM 848 CZ ARG A 55 -14.555 -4.339 -14.281 1.00 0.00 C ATOM 849 NH1 ARG A 55 -13.746 -4.655 -15.299 1.00 0.00 N ATOM 850 NH2 ARG A 55 -15.873 -4.493 -14.409 1.00 0.00 N ATOM 0 H ARG A 55 -8.481 -2.362 -12.058 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.094 -1.419 -12.628 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.130 -3.804 -12.157 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.318 -3.380 -10.467 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.269 -4.598 -11.128 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.751 -2.928 -10.903 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.523 -2.524 -13.338 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.016 -4.185 -13.572 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.643 -3.922 -12.294 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.734 -4.594 -15.184 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.141 -4.957 -16.190 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.487 -4.309 -13.616 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.267 -4.795 -15.300 1.00 0.00 H new ATOM 864 N LEU A 56 -9.767 -0.681 -9.699 1.00 0.00 N ATOM 865 CA LEU A 56 -9.881 0.196 -8.516 1.00 0.00 C ATOM 866 C LEU A 56 -10.203 1.617 -8.916 1.00 0.00 C ATOM 867 O LEU A 56 -11.146 2.199 -8.402 1.00 0.00 O ATOM 868 CB LEU A 56 -8.583 0.197 -7.679 1.00 0.00 C ATOM 869 CG LEU A 56 -8.531 -0.708 -6.442 1.00 0.00 C ATOM 870 CD1 LEU A 56 -9.540 -0.262 -5.404 1.00 0.00 C ATOM 871 CD2 LEU A 56 -8.777 -2.139 -6.810 1.00 0.00 C ATOM 0 H LEU A 56 -8.874 -1.168 -9.766 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.694 -0.205 -7.911 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.760 -0.086 -8.336 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.394 1.220 -7.354 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.531 -0.626 -6.017 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.484 -0.919 -4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.320 0.761 -5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.543 -0.307 -5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.734 -2.758 -5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.761 -2.233 -7.269 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.015 -2.469 -7.516 1.00 0.00 H new ATOM 883 N SER A 57 -9.444 2.149 -9.868 1.00 0.00 N ATOM 884 CA SER A 57 -9.647 3.510 -10.327 1.00 0.00 C ATOM 885 C SER A 57 -11.028 3.638 -10.984 1.00 0.00 C ATOM 886 O SER A 57 -11.730 4.627 -10.781 1.00 0.00 O ATOM 887 CB SER A 57 -8.516 3.938 -11.283 1.00 0.00 C ATOM 888 OG SER A 57 -8.610 5.318 -11.633 1.00 0.00 O ATOM 0 H SER A 57 -8.683 1.655 -10.334 1.00 0.00 H new ATOM 0 HA SER A 57 -9.616 4.185 -9.471 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.551 3.748 -10.813 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.555 3.330 -12.187 1.00 0.00 H new ATOM 0 HG SER A 57 -7.876 5.553 -12.238 1.00 0.00 H new ATOM 894 N ASN A 58 -11.430 2.596 -11.723 1.00 0.00 N ATOM 895 CA ASN A 58 -12.751 2.553 -12.353 1.00 0.00 C ATOM 896 C ASN A 58 -13.841 2.693 -11.285 1.00 0.00 C ATOM 897 O ASN A 58 -14.713 3.555 -11.385 1.00 0.00 O ATOM 898 CB ASN A 58 -12.934 1.240 -13.138 1.00 0.00 C ATOM 899 CG ASN A 58 -14.315 1.082 -13.787 1.00 0.00 C ATOM 900 OD1 ASN A 58 -14.827 -0.037 -13.897 1.00 0.00 O ATOM 901 ND2 ASN A 58 -14.905 2.160 -14.249 1.00 0.00 N ATOM 0 H ASN A 58 -10.856 1.771 -11.898 1.00 0.00 H new ATOM 0 HA ASN A 58 -12.833 3.383 -13.054 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.172 1.185 -13.915 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.763 0.400 -12.464 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -15.810 2.087 -14.713 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -14.458 3.071 -14.144 1.00 0.00 H new ATOM 908 N LEU A 59 -13.749 1.879 -10.237 1.00 0.00 N ATOM 909 CA LEU A 59 -14.699 1.930 -9.141 1.00 0.00 C ATOM 910 C LEU A 59 -14.609 3.233 -8.368 1.00 0.00 C ATOM 911 O LEU A 59 -15.623 3.782 -7.972 1.00 0.00 O ATOM 912 CB LEU A 59 -14.573 0.721 -8.197 1.00 0.00 C ATOM 913 CG LEU A 59 -15.342 -0.565 -8.587 1.00 0.00 C ATOM 914 CD1 LEU A 59 -16.843 -0.307 -8.650 1.00 0.00 C ATOM 915 CD2 LEU A 59 -14.846 -1.146 -9.900 1.00 0.00 C ATOM 0 H LEU A 59 -13.020 1.174 -10.128 1.00 0.00 H new ATOM 0 HA LEU A 59 -15.688 1.883 -9.598 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.516 0.469 -8.110 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.910 1.029 -7.207 1.00 0.00 H new ATOM 0 HG LEU A 59 -15.149 -1.302 -7.807 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -17.359 -1.227 -8.926 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -17.196 0.028 -7.675 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -17.049 0.462 -9.394 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -15.412 -2.047 -10.136 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -14.981 -0.414 -10.696 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -13.789 -1.395 -9.811 1.00 0.00 H new ATOM 927 N ALA A 60 -13.401 3.749 -8.203 1.00 0.00 N ATOM 928 CA ALA A 60 -13.164 4.994 -7.468 1.00 0.00 C ATOM 929 C ALA A 60 -13.836 6.188 -8.131 1.00 0.00 C ATOM 930 O ALA A 60 -14.129 7.195 -7.474 1.00 0.00 O ATOM 931 CB ALA A 60 -11.670 5.259 -7.339 1.00 0.00 C ATOM 0 H ALA A 60 -12.553 3.320 -8.573 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.603 4.868 -6.478 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.511 6.187 -6.791 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.199 4.435 -6.802 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.229 5.344 -8.332 1.00 0.00 H new ATOM 937 N LEU A 61 -14.085 6.081 -9.414 1.00 0.00 N ATOM 938 CA LEU A 61 -14.664 7.168 -10.157 1.00 0.00 C ATOM 939 C LEU A 61 -16.168 7.006 -10.291 1.00 0.00 C ATOM 940 O LEU A 61 -16.867 7.920 -10.742 1.00 0.00 O ATOM 941 CB LEU A 61 -14.006 7.275 -11.534 1.00 0.00 C ATOM 942 CG LEU A 61 -12.497 7.568 -11.544 1.00 0.00 C ATOM 943 CD1 LEU A 61 -11.961 7.567 -12.963 1.00 0.00 C ATOM 944 CD2 LEU A 61 -12.192 8.899 -10.864 1.00 0.00 C ATOM 0 H LEU A 61 -13.893 5.245 -9.966 1.00 0.00 H new ATOM 0 HA LEU A 61 -14.480 8.091 -9.607 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -14.177 6.341 -12.069 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -14.511 8.061 -12.095 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.000 6.777 -10.983 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -10.891 7.776 -12.948 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -12.133 6.591 -13.416 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -12.473 8.333 -13.546 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -11.117 9.081 -10.886 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -12.707 9.703 -11.390 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -12.534 8.866 -9.829 1.00 0.00 H new ATOM 956 N VAL A 62 -16.679 5.863 -9.899 1.00 0.00 N ATOM 957 CA VAL A 62 -18.097 5.623 -10.013 1.00 0.00 C ATOM 958 C VAL A 62 -18.771 5.451 -8.640 1.00 0.00 C ATOM 959 O VAL A 62 -19.835 6.032 -8.394 1.00 0.00 O ATOM 960 CB VAL A 62 -18.431 4.442 -10.995 1.00 0.00 C ATOM 961 CG1 VAL A 62 -17.831 3.123 -10.555 1.00 0.00 C ATOM 962 CG2 VAL A 62 -19.923 4.308 -11.210 1.00 0.00 C ATOM 0 H VAL A 62 -16.141 5.093 -9.503 1.00 0.00 H new ATOM 0 HA VAL A 62 -18.525 6.521 -10.459 1.00 0.00 H new ATOM 0 HB VAL A 62 -17.967 4.698 -11.947 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -18.096 2.346 -11.272 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -16.746 3.216 -10.504 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -18.219 2.857 -9.572 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -20.119 3.482 -11.894 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -20.412 4.113 -10.256 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -20.314 5.232 -11.636 1.00 0.00 H new ATOM 972 N LYS A 63 -18.157 4.678 -7.745 1.00 0.00 N ATOM 973 CA LYS A 63 -18.707 4.438 -6.412 1.00 0.00 C ATOM 974 C LYS A 63 -17.585 4.355 -5.382 1.00 0.00 C ATOM 975 O LYS A 63 -17.168 3.250 -5.005 1.00 0.00 O ATOM 976 CB LYS A 63 -19.549 3.145 -6.351 1.00 0.00 C ATOM 977 CG LYS A 63 -20.691 3.085 -7.361 1.00 0.00 C ATOM 978 CD LYS A 63 -21.546 1.842 -7.217 1.00 0.00 C ATOM 979 CE LYS A 63 -22.165 1.751 -5.835 1.00 0.00 C ATOM 980 NZ LYS A 63 -23.210 0.729 -5.775 1.00 0.00 N ATOM 0 H LYS A 63 -17.271 4.204 -7.922 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.362 5.279 -6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -18.892 2.291 -6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -19.962 3.043 -5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -21.320 3.967 -7.242 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -20.279 3.121 -8.369 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -22.334 1.852 -7.970 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -20.938 0.957 -7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -21.390 1.522 -5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -22.586 2.718 -5.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -23.609 0.697 -4.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -23.962 0.961 -6.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -22.803 -0.198 -6.012 1.00 0.00 H new ATOM 994 N PRO A 64 -17.077 5.516 -4.908 1.00 0.00 N ATOM 995 CA PRO A 64 -15.944 5.567 -3.971 1.00 0.00 C ATOM 996 C PRO A 64 -16.223 4.855 -2.643 1.00 0.00 C ATOM 997 O PRO A 64 -15.292 4.409 -1.962 1.00 0.00 O ATOM 998 CB PRO A 64 -15.709 7.065 -3.748 1.00 0.00 C ATOM 999 CG PRO A 64 -16.979 7.724 -4.162 1.00 0.00 C ATOM 1000 CD PRO A 64 -17.559 6.870 -5.248 1.00 0.00 C ATOM 0 HA PRO A 64 -15.076 5.048 -4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -15.478 7.276 -2.704 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.867 7.424 -4.340 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -17.668 7.805 -3.321 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.793 8.736 -4.520 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -18.648 6.918 -5.260 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.215 7.184 -6.234 1.00 0.00 H new ATOM 1008 N GLU A 65 -17.503 4.726 -2.288 1.00 0.00 N ATOM 1009 CA GLU A 65 -17.896 4.028 -1.073 1.00 0.00 C ATOM 1010 C GLU A 65 -17.480 2.569 -1.125 1.00 0.00 C ATOM 1011 O GLU A 65 -17.043 2.006 -0.127 1.00 0.00 O ATOM 1012 CB GLU A 65 -19.403 4.125 -0.834 1.00 0.00 C ATOM 1013 CG GLU A 65 -19.902 5.518 -0.500 1.00 0.00 C ATOM 1014 CD GLU A 65 -19.311 6.047 0.783 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -19.820 5.716 1.872 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -18.336 6.814 0.729 1.00 0.00 O ATOM 0 H GLU A 65 -18.283 5.098 -2.829 1.00 0.00 H new ATOM 0 HA GLU A 65 -17.382 4.514 -0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -19.922 3.771 -1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -19.672 3.452 -0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -19.655 6.195 -1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -20.989 5.502 -0.417 1.00 0.00 H new ATOM 1023 N LYS A 66 -17.602 1.954 -2.288 1.00 0.00 N ATOM 1024 CA LYS A 66 -17.232 0.565 -2.395 1.00 0.00 C ATOM 1025 C LYS A 66 -15.722 0.430 -2.514 1.00 0.00 C ATOM 1026 O LYS A 66 -15.138 -0.538 -2.029 1.00 0.00 O ATOM 1027 CB LYS A 66 -17.956 -0.152 -3.546 1.00 0.00 C ATOM 1028 CG LYS A 66 -19.474 0.077 -3.588 1.00 0.00 C ATOM 1029 CD LYS A 66 -20.164 -0.132 -2.229 1.00 0.00 C ATOM 1030 CE LYS A 66 -19.946 -1.519 -1.645 1.00 0.00 C ATOM 1031 NZ LYS A 66 -20.640 -1.662 -0.352 1.00 0.00 N ATOM 0 H LYS A 66 -17.945 2.385 -3.147 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.555 0.068 -1.480 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.526 0.180 -4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.765 -1.222 -3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.671 1.092 -3.934 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -19.916 -0.601 -4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.794 0.613 -1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -21.234 0.041 -2.343 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.310 -2.273 -2.343 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.879 -1.698 -1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.304 -2.521 0.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.441 -0.832 0.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.665 -1.734 -0.514 1.00 0.00 H new ATOM 1045 N THR A 67 -15.101 1.418 -3.131 1.00 0.00 N ATOM 1046 CA THR A 67 -13.667 1.443 -3.319 1.00 0.00 C ATOM 1047 C THR A 67 -12.938 1.475 -1.969 1.00 0.00 C ATOM 1048 O THR A 67 -12.048 0.666 -1.718 1.00 0.00 O ATOM 1049 CB THR A 67 -13.275 2.674 -4.117 1.00 0.00 C ATOM 1050 OG1 THR A 67 -14.227 2.849 -5.167 1.00 0.00 O ATOM 1051 CG2 THR A 67 -11.905 2.484 -4.733 1.00 0.00 C ATOM 0 H THR A 67 -15.583 2.230 -3.517 1.00 0.00 H new ATOM 0 HA THR A 67 -13.380 0.539 -3.856 1.00 0.00 H new ATOM 0 HB THR A 67 -13.254 3.543 -3.459 1.00 0.00 H new ATOM 0 HG1 THR A 67 -13.882 2.446 -5.991 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.636 3.373 -5.302 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.171 2.322 -3.944 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.921 1.619 -5.397 1.00 0.00 H new ATOM 1059 N LYS A 68 -13.354 2.385 -1.089 1.00 0.00 N ATOM 1060 CA LYS A 68 -12.727 2.516 0.224 1.00 0.00 C ATOM 1061 C LYS A 68 -12.889 1.231 1.030 1.00 0.00 C ATOM 1062 O LYS A 68 -11.993 0.835 1.771 1.00 0.00 O ATOM 1063 CB LYS A 68 -13.278 3.742 0.983 1.00 0.00 C ATOM 1064 CG LYS A 68 -14.772 3.698 1.256 1.00 0.00 C ATOM 1065 CD LYS A 68 -15.296 4.989 1.868 1.00 0.00 C ATOM 1066 CE LYS A 68 -15.103 6.183 0.934 1.00 0.00 C ATOM 1067 NZ LYS A 68 -15.833 7.374 1.403 1.00 0.00 N ATOM 0 H LYS A 68 -14.118 3.039 -1.261 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.659 2.681 0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.751 3.832 1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.053 4.640 0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.302 3.502 0.324 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.990 2.868 1.928 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.355 4.877 2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.782 5.179 2.810 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.041 6.416 0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.444 5.919 -0.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.582 8.191 0.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.857 7.201 1.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.576 7.572 2.391 1.00 0.00 H new ATOM 1081 N ALA A 69 -14.010 0.552 0.813 1.00 0.00 N ATOM 1082 CA ALA A 69 -14.307 -0.687 1.494 1.00 0.00 C ATOM 1083 C ALA A 69 -13.383 -1.812 1.021 1.00 0.00 C ATOM 1084 O ALA A 69 -12.898 -2.613 1.839 1.00 0.00 O ATOM 1085 CB ALA A 69 -15.769 -1.065 1.303 1.00 0.00 C ATOM 0 H ALA A 69 -14.733 0.851 0.159 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.129 -0.539 2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.974 -2.001 1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -16.404 -0.278 1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.977 -1.187 0.240 1.00 0.00 H new ATOM 1091 N VAL A 70 -13.125 -1.875 -0.289 1.00 0.00 N ATOM 1092 CA VAL A 70 -12.231 -2.897 -0.806 1.00 0.00 C ATOM 1093 C VAL A 70 -10.780 -2.574 -0.468 1.00 0.00 C ATOM 1094 O VAL A 70 -10.038 -3.459 -0.059 1.00 0.00 O ATOM 1095 CB VAL A 70 -12.399 -3.225 -2.340 1.00 0.00 C ATOM 1096 CG1 VAL A 70 -13.793 -3.720 -2.643 1.00 0.00 C ATOM 1097 CG2 VAL A 70 -12.061 -2.048 -3.237 1.00 0.00 C ATOM 0 H VAL A 70 -13.515 -1.244 -0.990 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.529 -3.813 -0.295 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.682 -4.016 -2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.878 -3.938 -3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.990 -4.626 -2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.519 -2.954 -2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.196 -2.335 -4.280 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.719 -1.211 -3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -11.025 -1.751 -3.073 1.00 0.00 H new ATOM 1107 N GLU A 71 -10.390 -1.300 -0.590 1.00 0.00 N ATOM 1108 CA GLU A 71 -9.027 -0.882 -0.257 1.00 0.00 C ATOM 1109 C GLU A 71 -8.702 -1.214 1.187 1.00 0.00 C ATOM 1110 O GLU A 71 -7.644 -1.759 1.474 1.00 0.00 O ATOM 1111 CB GLU A 71 -8.798 0.614 -0.535 1.00 0.00 C ATOM 1112 CG GLU A 71 -8.797 0.982 -2.008 1.00 0.00 C ATOM 1113 CD GLU A 71 -8.554 2.456 -2.241 1.00 0.00 C ATOM 1114 OE1 GLU A 71 -9.517 3.234 -2.209 1.00 0.00 O ATOM 1115 OE2 GLU A 71 -7.383 2.860 -2.477 1.00 0.00 O ATOM 0 H GLU A 71 -10.996 -0.546 -0.915 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.350 -1.439 -0.905 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.574 1.189 -0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.845 0.911 -0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.028 0.405 -2.522 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.753 0.701 -2.449 1.00 0.00 H new ATOM 1122 N ASN A 72 -9.656 -0.936 2.072 1.00 0.00 N ATOM 1123 CA ASN A 72 -9.538 -1.208 3.507 1.00 0.00 C ATOM 1124 C ASN A 72 -9.200 -2.684 3.747 1.00 0.00 C ATOM 1125 O ASN A 72 -8.348 -3.018 4.583 1.00 0.00 O ATOM 1126 CB ASN A 72 -10.871 -0.883 4.192 1.00 0.00 C ATOM 1127 CG ASN A 72 -10.781 -0.861 5.700 1.00 0.00 C ATOM 1128 OD1 ASN A 72 -10.932 -1.884 6.375 1.00 0.00 O ATOM 1129 ND2 ASN A 72 -10.573 0.307 6.242 1.00 0.00 N ATOM 0 H ASN A 72 -10.545 -0.510 1.812 1.00 0.00 H new ATOM 0 HA ASN A 72 -8.740 -0.590 3.918 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.224 0.087 3.842 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.615 -1.620 3.891 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.530 0.398 7.257 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.453 1.129 5.651 1.00 0.00 H new ATOM 1136 N TYR A 73 -9.838 -3.545 2.964 1.00 0.00 N ATOM 1137 CA TYR A 73 -9.677 -4.977 3.074 1.00 0.00 C ATOM 1138 C TYR A 73 -8.327 -5.419 2.513 1.00 0.00 C ATOM 1139 O TYR A 73 -7.566 -6.101 3.201 1.00 0.00 O ATOM 1140 CB TYR A 73 -10.835 -5.687 2.358 1.00 0.00 C ATOM 1141 CG TYR A 73 -10.846 -7.202 2.473 1.00 0.00 C ATOM 1142 CD1 TYR A 73 -10.634 -7.836 3.694 1.00 0.00 C ATOM 1143 CD2 TYR A 73 -11.107 -7.996 1.365 1.00 0.00 C ATOM 1144 CE1 TYR A 73 -10.679 -9.212 3.800 1.00 0.00 C ATOM 1145 CE2 TYR A 73 -11.151 -9.372 1.467 1.00 0.00 C ATOM 1146 CZ TYR A 73 -10.937 -9.976 2.685 1.00 0.00 C ATOM 1147 OH TYR A 73 -11.003 -11.356 2.793 1.00 0.00 O ATOM 0 H TYR A 73 -10.486 -3.259 2.230 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.698 -5.254 4.128 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -11.775 -5.303 2.756 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.804 -5.421 1.302 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.431 -7.242 4.573 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -11.279 -7.529 0.406 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -10.512 -9.687 4.755 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.353 -9.973 0.593 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.319 -11.599 3.688 1.00 0.00 H new ATOM 1157 N LEU A 74 -8.019 -5.005 1.278 1.00 0.00 N ATOM 1158 CA LEU A 74 -6.751 -5.378 0.639 1.00 0.00 C ATOM 1159 C LEU A 74 -5.540 -4.910 1.432 1.00 0.00 C ATOM 1160 O LEU A 74 -4.543 -5.617 1.489 1.00 0.00 O ATOM 1161 CB LEU A 74 -6.629 -4.970 -0.850 1.00 0.00 C ATOM 1162 CG LEU A 74 -7.414 -5.797 -1.913 1.00 0.00 C ATOM 1163 CD1 LEU A 74 -7.044 -7.263 -1.863 1.00 0.00 C ATOM 1164 CD2 LEU A 74 -8.914 -5.632 -1.809 1.00 0.00 C ATOM 0 H LEU A 74 -8.624 -4.417 0.705 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.766 -6.468 0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.947 -3.931 -0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.573 -5.003 -1.118 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.114 -5.391 -2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.611 -7.807 -2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.978 -7.376 -2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.276 -7.663 -0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.400 -6.234 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.249 -5.960 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -9.175 -4.583 -1.950 1.00 0.00 H new ATOM 1176 N ILE A 75 -5.630 -3.719 2.040 1.00 0.00 N ATOM 1177 CA ILE A 75 -4.552 -3.200 2.900 1.00 0.00 C ATOM 1178 C ILE A 75 -4.192 -4.219 3.984 1.00 0.00 C ATOM 1179 O ILE A 75 -3.026 -4.586 4.140 1.00 0.00 O ATOM 1180 CB ILE A 75 -4.940 -1.836 3.573 1.00 0.00 C ATOM 1181 CG1 ILE A 75 -5.001 -0.708 2.529 1.00 0.00 C ATOM 1182 CG2 ILE A 75 -3.984 -1.476 4.720 1.00 0.00 C ATOM 1183 CD1 ILE A 75 -5.456 0.629 3.080 1.00 0.00 C ATOM 0 H ILE A 75 -6.434 -3.097 1.954 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.689 -3.027 2.258 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.934 -1.954 4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.013 -0.587 2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.677 -1.007 1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.286 -0.526 5.160 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.019 -2.256 5.481 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.968 -1.391 4.334 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.470 1.367 2.278 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.457 0.528 3.499 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.768 0.954 3.860 1.00 0.00 H new ATOM 1195 N GLN A 76 -5.199 -4.706 4.682 1.00 0.00 N ATOM 1196 CA GLN A 76 -4.991 -5.648 5.762 1.00 0.00 C ATOM 1197 C GLN A 76 -4.610 -7.018 5.215 1.00 0.00 C ATOM 1198 O GLN A 76 -3.691 -7.658 5.707 1.00 0.00 O ATOM 1199 CB GLN A 76 -6.231 -5.712 6.654 1.00 0.00 C ATOM 1200 CG GLN A 76 -6.540 -4.384 7.332 1.00 0.00 C ATOM 1201 CD GLN A 76 -7.827 -4.392 8.129 1.00 0.00 C ATOM 1202 OE1 GLN A 76 -8.890 -4.086 7.608 1.00 0.00 O ATOM 1203 NE2 GLN A 76 -7.743 -4.719 9.385 1.00 0.00 N ATOM 0 H GLN A 76 -6.176 -4.462 4.518 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.159 -5.305 6.377 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.089 -6.017 6.054 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.086 -6.478 7.415 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.714 -4.124 7.995 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.598 -3.604 6.573 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.840 -4.969 9.788 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.580 -4.725 9.967 1.00 0.00 H new ATOM 1212 N MET A 77 -5.267 -7.419 4.158 1.00 0.00 N ATOM 1213 CA MET A 77 -5.018 -8.700 3.507 1.00 0.00 C ATOM 1214 C MET A 77 -3.560 -8.802 3.018 1.00 0.00 C ATOM 1215 O MET A 77 -2.906 -9.848 3.176 1.00 0.00 O ATOM 1216 CB MET A 77 -5.984 -8.853 2.350 1.00 0.00 C ATOM 1217 CG MET A 77 -5.882 -10.156 1.584 1.00 0.00 C ATOM 1218 SD MET A 77 -6.994 -10.211 0.173 1.00 0.00 S ATOM 1219 CE MET A 77 -6.610 -11.826 -0.497 1.00 0.00 C ATOM 0 H MET A 77 -6.000 -6.867 3.712 1.00 0.00 H new ATOM 0 HA MET A 77 -5.174 -9.505 4.225 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.000 -8.755 2.732 1.00 0.00 H new ATOM 0 HB3 MET A 77 -5.824 -8.029 1.654 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.857 -10.293 1.240 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.107 -10.986 2.253 1.00 0.00 H new ATOM 0 HE1 MET A 77 -7.222 -12.008 -1.381 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.556 -11.865 -0.771 1.00 0.00 H new ATOM 0 HE3 MET A 77 -6.819 -12.590 0.252 1.00 0.00 H new ATOM 1229 N ALA A 78 -3.052 -7.717 2.450 1.00 0.00 N ATOM 1230 CA ALA A 78 -1.674 -7.663 1.983 1.00 0.00 C ATOM 1231 C ALA A 78 -0.723 -7.595 3.150 1.00 0.00 C ATOM 1232 O ALA A 78 0.329 -8.241 3.147 1.00 0.00 O ATOM 1233 CB ALA A 78 -1.455 -6.483 1.049 1.00 0.00 C ATOM 0 H ALA A 78 -3.578 -6.856 2.301 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.474 -8.576 1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.417 -6.469 0.717 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.111 -6.577 0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.680 -5.556 1.576 1.00 0.00 H new ATOM 1353 N LYS A 86 -0.985 -11.876 -7.174 1.00 0.00 N ATOM 1354 CA LYS A 86 -1.674 -10.689 -7.562 1.00 0.00 C ATOM 1355 C LYS A 86 -3.073 -11.050 -8.030 1.00 0.00 C ATOM 1356 O LYS A 86 -3.242 -11.810 -8.984 1.00 0.00 O ATOM 1357 CB LYS A 86 -0.894 -9.967 -8.656 1.00 0.00 C ATOM 1358 CG LYS A 86 0.436 -9.407 -8.182 1.00 0.00 C ATOM 1359 CD LYS A 86 1.208 -8.685 -9.281 1.00 0.00 C ATOM 1360 CE LYS A 86 1.660 -9.632 -10.379 1.00 0.00 C ATOM 1361 NZ LYS A 86 2.462 -8.933 -11.405 1.00 0.00 N ATOM 0 HA LYS A 86 -1.757 -10.014 -6.710 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.716 -10.658 -9.480 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.503 -9.153 -9.049 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.259 -8.717 -7.357 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.047 -10.221 -7.791 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.580 -7.905 -9.712 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.078 -8.191 -8.848 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.249 -10.440 -9.944 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.788 -10.090 -10.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.753 -9.610 -12.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.891 -8.179 -11.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.306 -8.518 -10.962 1.00 0.00 H new ATOM 1375 N VAL A 87 -4.051 -10.541 -7.333 1.00 0.00 N ATOM 1376 CA VAL A 87 -5.449 -10.802 -7.611 1.00 0.00 C ATOM 1377 C VAL A 87 -5.892 -9.960 -8.808 1.00 0.00 C ATOM 1378 O VAL A 87 -5.607 -8.766 -8.859 1.00 0.00 O ATOM 1379 CB VAL A 87 -6.325 -10.438 -6.371 1.00 0.00 C ATOM 1380 CG1 VAL A 87 -7.786 -10.779 -6.601 1.00 0.00 C ATOM 1381 CG2 VAL A 87 -5.814 -11.133 -5.117 1.00 0.00 C ATOM 0 H VAL A 87 -3.902 -9.919 -6.538 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.574 -11.861 -7.834 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.247 -9.360 -6.227 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.365 -10.512 -5.717 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -8.159 -10.222 -7.461 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -7.885 -11.848 -6.790 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.443 -10.862 -4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.845 -12.213 -5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.787 -10.823 -4.922 1.00 0.00 H new ATOM 1391 N SER A 88 -6.562 -10.580 -9.761 1.00 0.00 N ATOM 1392 CA SER A 88 -7.035 -9.880 -10.937 1.00 0.00 C ATOM 1393 C SER A 88 -8.453 -9.333 -10.703 1.00 0.00 C ATOM 1394 O SER A 88 -8.971 -9.382 -9.566 1.00 0.00 O ATOM 1395 CB SER A 88 -6.991 -10.806 -12.158 1.00 0.00 C ATOM 1396 OG SER A 88 -5.676 -11.286 -12.394 1.00 0.00 O ATOM 0 H SER A 88 -6.791 -11.574 -9.742 1.00 0.00 H new ATOM 0 HA SER A 88 -6.378 -9.032 -11.132 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.665 -11.648 -12.003 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.348 -10.269 -13.037 1.00 0.00 H new ATOM 0 HG SER A 88 -5.678 -11.875 -13.177 1.00 0.00 H new ATOM 1402 N GLU A 89 -9.081 -8.832 -11.768 1.00 0.00 N ATOM 1403 CA GLU A 89 -10.387 -8.198 -11.685 1.00 0.00 C ATOM 1404 C GLU A 89 -11.438 -9.130 -11.116 1.00 0.00 C ATOM 1405 O GLU A 89 -12.149 -8.753 -10.227 1.00 0.00 O ATOM 1406 CB GLU A 89 -10.858 -7.706 -13.041 1.00 0.00 C ATOM 1407 CG GLU A 89 -9.975 -6.683 -13.699 1.00 0.00 C ATOM 1408 CD GLU A 89 -10.536 -6.263 -15.029 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -10.470 -7.056 -15.983 1.00 0.00 O ATOM 1410 OE2 GLU A 89 -11.069 -5.149 -15.145 1.00 0.00 O ATOM 0 H GLU A 89 -8.693 -8.857 -12.711 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.263 -7.349 -11.013 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.951 -8.564 -13.707 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.855 -7.281 -12.928 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.876 -5.812 -13.051 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.975 -7.094 -13.836 1.00 0.00 H new ATOM 1417 N GLN A 90 -11.498 -10.353 -11.612 1.00 0.00 N ATOM 1418 CA GLN A 90 -12.515 -11.318 -11.188 1.00 0.00 C ATOM 1419 C GLN A 90 -12.412 -11.625 -9.686 1.00 0.00 C ATOM 1420 O GLN A 90 -13.433 -11.829 -9.001 1.00 0.00 O ATOM 1421 CB GLN A 90 -12.436 -12.600 -12.028 1.00 0.00 C ATOM 1422 CG GLN A 90 -13.504 -13.645 -11.701 1.00 0.00 C ATOM 1423 CD GLN A 90 -14.923 -13.120 -11.881 1.00 0.00 C ATOM 1424 OE1 GLN A 90 -15.502 -13.214 -12.963 1.00 0.00 O ATOM 1425 NE2 GLN A 90 -15.484 -12.560 -10.835 1.00 0.00 N ATOM 0 H GLN A 90 -10.851 -10.710 -12.315 1.00 0.00 H new ATOM 0 HA GLN A 90 -13.492 -10.866 -11.357 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.518 -12.333 -13.082 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.453 -13.049 -11.889 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -13.361 -14.516 -12.341 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -13.374 -13.980 -10.672 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -14.974 -12.500 -9.954 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -16.430 -12.185 -10.903 1.00 0.00 H new ATOM 1434 N GLY A 91 -11.204 -11.647 -9.177 1.00 0.00 N ATOM 1435 CA GLY A 91 -11.010 -11.840 -7.769 1.00 0.00 C ATOM 1436 C GLY A 91 -11.474 -10.625 -7.007 1.00 0.00 C ATOM 1437 O GLY A 91 -12.161 -10.743 -5.993 1.00 0.00 O ATOM 0 H GLY A 91 -10.347 -11.534 -9.718 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.561 -12.719 -7.436 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.956 -12.027 -7.562 1.00 0.00 H new ATOM 1441 N LEU A 92 -11.141 -9.453 -7.531 1.00 0.00 N ATOM 1442 CA LEU A 92 -11.524 -8.187 -6.923 1.00 0.00 C ATOM 1443 C LEU A 92 -13.043 -7.979 -6.977 1.00 0.00 C ATOM 1444 O LEU A 92 -13.632 -7.447 -6.047 1.00 0.00 O ATOM 1445 CB LEU A 92 -10.844 -7.024 -7.615 1.00 0.00 C ATOM 1446 CG LEU A 92 -11.171 -5.661 -7.023 1.00 0.00 C ATOM 1447 CD1 LEU A 92 -10.439 -5.431 -5.707 1.00 0.00 C ATOM 1448 CD2 LEU A 92 -10.924 -4.560 -8.021 1.00 0.00 C ATOM 0 H LEU A 92 -10.598 -9.354 -8.389 1.00 0.00 H new ATOM 0 HA LEU A 92 -11.206 -8.226 -5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.765 -7.174 -7.576 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -11.128 -7.027 -8.667 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.236 -5.644 -6.790 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.697 -4.448 -5.314 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.732 -6.197 -4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.363 -5.484 -5.875 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.167 -3.598 -7.569 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.875 -4.567 -8.318 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -11.551 -4.717 -8.899 1.00 0.00 H new ATOM 1460 N ILE A 93 -13.662 -8.384 -8.076 1.00 0.00 N ATOM 1461 CA ILE A 93 -15.113 -8.297 -8.240 1.00 0.00 C ATOM 1462 C ILE A 93 -15.802 -9.105 -7.149 1.00 0.00 C ATOM 1463 O ILE A 93 -16.830 -8.693 -6.612 1.00 0.00 O ATOM 1464 CB ILE A 93 -15.578 -8.779 -9.662 1.00 0.00 C ATOM 1465 CG1 ILE A 93 -15.015 -7.841 -10.744 1.00 0.00 C ATOM 1466 CG2 ILE A 93 -17.108 -8.849 -9.758 1.00 0.00 C ATOM 1467 CD1 ILE A 93 -15.331 -8.259 -12.168 1.00 0.00 C ATOM 0 H ILE A 93 -13.177 -8.782 -8.880 1.00 0.00 H new ATOM 0 HA ILE A 93 -15.398 -7.249 -8.151 1.00 0.00 H new ATOM 0 HB ILE A 93 -15.191 -9.785 -9.823 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -15.409 -6.838 -10.578 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -13.933 -7.782 -10.628 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -17.395 -9.186 -10.754 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -17.488 -9.550 -9.015 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -17.530 -7.861 -9.573 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -14.896 -7.541 -12.863 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -14.913 -9.248 -12.358 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -16.412 -8.289 -12.307 1.00 0.00 H new ATOM 1479 N GLU A 94 -15.200 -10.224 -6.795 1.00 0.00 N ATOM 1480 CA GLU A 94 -15.711 -11.064 -5.741 1.00 0.00 C ATOM 1481 C GLU A 94 -15.539 -10.370 -4.376 1.00 0.00 C ATOM 1482 O GLU A 94 -16.405 -10.462 -3.506 1.00 0.00 O ATOM 1483 CB GLU A 94 -15.065 -12.440 -5.809 1.00 0.00 C ATOM 1484 CG GLU A 94 -15.565 -13.431 -4.786 1.00 0.00 C ATOM 1485 CD GLU A 94 -15.177 -14.833 -5.147 1.00 0.00 C ATOM 1486 OE1 GLU A 94 -13.978 -15.125 -5.269 1.00 0.00 O ATOM 1487 OE2 GLU A 94 -16.079 -15.695 -5.327 1.00 0.00 O ATOM 0 H GLU A 94 -14.346 -10.571 -7.231 1.00 0.00 H new ATOM 0 HA GLU A 94 -16.782 -11.219 -5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -15.230 -12.853 -6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -13.988 -12.326 -5.686 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -15.159 -13.181 -3.806 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -16.650 -13.361 -4.709 1.00 0.00 H new ATOM 1494 N ILE A 95 -14.440 -9.625 -4.227 1.00 0.00 N ATOM 1495 CA ILE A 95 -14.202 -8.808 -3.026 1.00 0.00 C ATOM 1496 C ILE A 95 -15.297 -7.745 -2.955 1.00 0.00 C ATOM 1497 O ILE A 95 -15.877 -7.475 -1.896 1.00 0.00 O ATOM 1498 CB ILE A 95 -12.832 -8.055 -3.090 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -11.665 -9.002 -3.409 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -12.573 -7.301 -1.792 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -11.370 -10.026 -2.351 1.00 0.00 C ATOM 0 H ILE A 95 -13.697 -9.569 -4.924 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.199 -9.472 -2.161 1.00 0.00 H new ATOM 0 HB ILE A 95 -12.896 -7.336 -3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.882 -9.519 -4.343 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.768 -8.405 -3.576 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.616 -6.784 -1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -13.368 -6.573 -1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -12.550 -8.005 -0.960 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -10.531 -10.646 -2.668 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -11.117 -9.523 -1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -12.248 -10.654 -2.198 1.00 0.00 H new ATOM 1513 N LEU A 96 -15.585 -7.179 -4.118 1.00 0.00 N ATOM 1514 CA LEU A 96 -16.579 -6.152 -4.286 1.00 0.00 C ATOM 1515 C LEU A 96 -17.971 -6.701 -3.903 1.00 0.00 C ATOM 1516 O LEU A 96 -18.790 -5.981 -3.348 1.00 0.00 O ATOM 1517 CB LEU A 96 -16.555 -5.648 -5.740 1.00 0.00 C ATOM 1518 CG LEU A 96 -17.270 -4.328 -6.037 1.00 0.00 C ATOM 1519 CD1 LEU A 96 -16.550 -3.160 -5.362 1.00 0.00 C ATOM 1520 CD2 LEU A 96 -17.356 -4.099 -7.537 1.00 0.00 C ATOM 0 H LEU A 96 -15.117 -7.434 -4.987 1.00 0.00 H new ATOM 0 HA LEU A 96 -16.358 -5.311 -3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.513 -5.543 -6.044 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.995 -6.420 -6.372 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.281 -4.388 -5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.074 -2.231 -5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.534 -3.317 -4.283 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.528 -3.098 -5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.867 -3.156 -7.732 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -16.351 -4.061 -7.957 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.912 -4.915 -7.998 1.00 0.00 H new ATOM 1532 N LYS A 97 -18.211 -7.990 -4.178 1.00 0.00 N ATOM 1533 CA LYS A 97 -19.468 -8.659 -3.788 1.00 0.00 C ATOM 1534 C LYS A 97 -19.569 -8.670 -2.272 1.00 0.00 C ATOM 1535 O LYS A 97 -20.589 -8.289 -1.688 1.00 0.00 O ATOM 1536 CB LYS A 97 -19.497 -10.128 -4.275 1.00 0.00 C ATOM 1537 CG LYS A 97 -19.346 -10.332 -5.773 1.00 0.00 C ATOM 1538 CD LYS A 97 -20.499 -9.753 -6.568 1.00 0.00 C ATOM 1539 CE LYS A 97 -21.803 -10.489 -6.327 1.00 0.00 C ATOM 1540 NZ LYS A 97 -22.891 -9.937 -7.150 1.00 0.00 N ATOM 0 H LYS A 97 -17.553 -8.594 -4.670 1.00 0.00 H new ATOM 0 HA LYS A 97 -20.297 -8.115 -4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -18.699 -10.674 -3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -20.439 -10.577 -3.960 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -18.415 -9.872 -6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -19.266 -11.399 -5.983 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -20.625 -8.703 -6.305 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -20.257 -9.789 -7.630 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -21.673 -11.547 -6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -22.072 -10.421 -5.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -23.769 -10.462 -6.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -23.030 -8.934 -6.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -22.644 -10.025 -8.156 1.00 0.00 H new ATOM 1554 N LYS A 98 -18.478 -9.086 -1.653 1.00 0.00 N ATOM 1555 CA LYS A 98 -18.366 -9.211 -0.212 1.00 0.00 C ATOM 1556 C LYS A 98 -18.611 -7.879 0.492 1.00 0.00 C ATOM 1557 O LYS A 98 -19.391 -7.814 1.444 1.00 0.00 O ATOM 1558 CB LYS A 98 -16.984 -9.762 0.155 1.00 0.00 C ATOM 1559 CG LYS A 98 -16.711 -11.155 -0.399 1.00 0.00 C ATOM 1560 CD LYS A 98 -15.281 -11.619 -0.140 1.00 0.00 C ATOM 1561 CE LYS A 98 -14.954 -11.672 1.343 1.00 0.00 C ATOM 1562 NZ LYS A 98 -13.589 -12.153 1.590 1.00 0.00 N ATOM 0 H LYS A 98 -17.628 -9.352 -2.150 1.00 0.00 H new ATOM 0 HA LYS A 98 -19.135 -9.905 0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -16.220 -9.078 -0.215 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -16.890 -9.788 1.241 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.406 -11.864 0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.902 -11.159 -1.472 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.137 -12.607 -0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.586 -10.944 -0.640 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -15.072 -10.678 1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -15.665 -12.326 1.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.621 -12.979 2.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -13.148 -12.424 0.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.030 -11.398 2.036 1.00 0.00 H new ATOM 1576 N VAL A 99 -17.984 -6.820 0.005 1.00 0.00 N ATOM 1577 CA VAL A 99 -18.121 -5.504 0.629 1.00 0.00 C ATOM 1578 C VAL A 99 -19.493 -4.879 0.357 1.00 0.00 C ATOM 1579 O VAL A 99 -19.939 -3.992 1.084 1.00 0.00 O ATOM 1580 CB VAL A 99 -16.991 -4.509 0.221 1.00 0.00 C ATOM 1581 CG1 VAL A 99 -15.613 -5.078 0.536 1.00 0.00 C ATOM 1582 CG2 VAL A 99 -17.092 -4.121 -1.239 1.00 0.00 C ATOM 0 H VAL A 99 -17.378 -6.840 -0.815 1.00 0.00 H new ATOM 0 HA VAL A 99 -18.025 -5.685 1.700 1.00 0.00 H new ATOM 0 HB VAL A 99 -17.127 -3.605 0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.847 -4.361 0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -15.535 -5.271 1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -15.470 -6.009 -0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -16.289 -3.427 -1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -17.006 -5.013 -1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -18.054 -3.643 -1.423 1.00 0.00 H new ATOM 1592 N SER A 100 -20.150 -5.313 -0.702 1.00 0.00 N ATOM 1593 CA SER A 100 -21.466 -4.828 -1.018 1.00 0.00 C ATOM 1594 C SER A 100 -22.529 -5.459 -0.118 1.00 0.00 C ATOM 1595 O SER A 100 -23.639 -4.929 0.018 1.00 0.00 O ATOM 1596 CB SER A 100 -21.767 -5.049 -2.487 1.00 0.00 C ATOM 1597 OG SER A 100 -20.840 -4.326 -3.290 1.00 0.00 O ATOM 0 H SER A 100 -19.785 -6.005 -1.357 1.00 0.00 H new ATOM 0 HA SER A 100 -21.492 -3.755 -0.825 1.00 0.00 H new ATOM 0 HB2 SER A 100 -21.712 -6.112 -2.722 1.00 0.00 H new ATOM 0 HB3 SER A 100 -22.784 -4.726 -2.711 1.00 0.00 H new ATOM 0 HG SER A 100 -19.958 -4.749 -3.232 1.00 0.00 H new