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 73 TYR OH : rot 180:sc= 0.953 USER MOD Set 1.2: A 98 LYS NZ :NH3+ -166:sc= 1.43 (180deg=0.0914) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN :FLIP amide:sc= -0.364 F(o=-4.1!,f=-0.36) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 51 SER OG : rot -91:sc= 1.24 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 1.15 K(o=1.1,f=-0.024) USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.121) USER MOD Single : A 66 LYS NZ :NH3+ -153:sc= 1.35 (180deg=1.2) USER MOD Single : A 67 THR OG1 : rot -99:sc= -0.659 USER MOD Single : A 68 LYS NZ :NH3+ 176:sc= 1.31 (180deg=1.17) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.91) 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= -1.21 K(o=-1.2,f=-5.8!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 31:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 21 N ALA A 2 35.223 28.106 5.156 1.00 0.00 N ATOM 22 CA ALA A 2 34.396 28.090 3.953 1.00 0.00 C ATOM 23 C ALA A 2 32.985 27.611 4.211 1.00 0.00 C ATOM 24 O ALA A 2 32.022 28.314 3.889 1.00 0.00 O ATOM 25 CB ALA A 2 35.049 27.274 2.846 1.00 0.00 C ATOM 0 HA ALA A 2 34.319 29.126 3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 2 34.409 27.281 1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 2 36.017 27.709 2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 2 35.189 26.247 3.185 1.00 0.00 H new ATOM 31 N ASP A 3 32.870 26.463 4.845 1.00 0.00 N ATOM 32 CA ASP A 3 31.586 25.845 5.107 1.00 0.00 C ATOM 33 C ASP A 3 30.738 26.682 6.031 1.00 0.00 C ATOM 34 O ASP A 3 29.541 26.802 5.829 1.00 0.00 O ATOM 35 CB ASP A 3 31.754 24.449 5.691 1.00 0.00 C ATOM 36 CG ASP A 3 32.456 23.506 4.765 1.00 0.00 C ATOM 37 OD1 ASP A 3 31.808 22.960 3.849 1.00 0.00 O ATOM 38 OD2 ASP A 3 33.681 23.303 4.935 1.00 0.00 O ATOM 0 H ASP A 3 33.666 25.930 5.194 1.00 0.00 H new ATOM 0 HA ASP A 3 31.075 25.769 4.147 1.00 0.00 H new ATOM 0 HB2 ASP A 3 32.314 24.517 6.624 1.00 0.00 H new ATOM 0 HB3 ASP A 3 30.772 24.044 5.937 1.00 0.00 H new ATOM 43 N GLU A 4 31.366 27.278 7.019 1.00 0.00 N ATOM 44 CA GLU A 4 30.676 28.106 7.991 1.00 0.00 C ATOM 45 C GLU A 4 30.126 29.377 7.345 1.00 0.00 C ATOM 46 O GLU A 4 28.954 29.731 7.549 1.00 0.00 O ATOM 47 CB GLU A 4 31.610 28.451 9.141 1.00 0.00 C ATOM 48 CG GLU A 4 30.971 29.277 10.230 1.00 0.00 C ATOM 49 CD GLU A 4 31.879 29.471 11.395 1.00 0.00 C ATOM 50 OE1 GLU A 4 32.002 28.546 12.213 1.00 0.00 O ATOM 51 OE2 GLU A 4 32.496 30.566 11.519 1.00 0.00 O ATOM 0 H GLU A 4 32.371 27.204 7.174 1.00 0.00 H new ATOM 0 HA GLU A 4 29.830 27.540 8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 4 31.989 27.526 9.577 1.00 0.00 H new ATOM 0 HB3 GLU A 4 32.469 28.993 8.746 1.00 0.00 H new ATOM 0 HG2 GLU A 4 30.687 30.249 9.827 1.00 0.00 H new ATOM 0 HG3 GLU A 4 30.055 28.790 10.563 1.00 0.00 H new ATOM 58 N GLU A 5 30.958 30.042 6.559 1.00 0.00 N ATOM 59 CA GLU A 5 30.562 31.265 5.879 1.00 0.00 C ATOM 60 C GLU A 5 29.488 30.970 4.839 1.00 0.00 C ATOM 61 O GLU A 5 28.562 31.773 4.631 1.00 0.00 O ATOM 62 CB GLU A 5 31.773 31.948 5.242 1.00 0.00 C ATOM 63 CG GLU A 5 32.834 32.339 6.257 1.00 0.00 C ATOM 64 CD GLU A 5 34.013 33.051 5.653 1.00 0.00 C ATOM 65 OE1 GLU A 5 33.928 34.290 5.437 1.00 0.00 O ATOM 66 OE2 GLU A 5 35.054 32.419 5.422 1.00 0.00 O ATOM 0 H GLU A 5 31.919 29.752 6.375 1.00 0.00 H new ATOM 0 HA GLU A 5 30.143 31.951 6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 5 32.214 31.279 4.503 1.00 0.00 H new ATOM 0 HB3 GLU A 5 31.442 32.839 4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 5 32.382 32.980 7.014 1.00 0.00 H new ATOM 0 HG3 GLU A 5 33.185 31.442 6.767 1.00 0.00 H new ATOM 73 N LEU A 6 29.595 29.805 4.220 1.00 0.00 N ATOM 74 CA LEU A 6 28.623 29.358 3.245 1.00 0.00 C ATOM 75 C LEU A 6 27.305 29.059 3.960 1.00 0.00 C ATOM 76 O LEU A 6 26.245 29.457 3.493 1.00 0.00 O ATOM 77 CB LEU A 6 29.169 28.115 2.474 1.00 0.00 C ATOM 78 CG LEU A 6 28.385 27.578 1.231 1.00 0.00 C ATOM 79 CD1 LEU A 6 27.078 26.883 1.601 1.00 0.00 C ATOM 80 CD2 LEU A 6 28.131 28.696 0.228 1.00 0.00 C ATOM 0 H LEU A 6 30.357 29.147 4.381 1.00 0.00 H new ATOM 0 HA LEU A 6 28.441 30.138 2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 6 30.181 28.352 2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 6 29.250 27.296 3.189 1.00 0.00 H new ATOM 0 HG LEU A 6 29.020 26.822 0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 6 26.582 26.534 0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 6 27.289 26.033 2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 6 26.428 27.585 2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 6 27.585 28.300 -0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 6 27.543 29.483 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 6 29.083 29.107 -0.108 1.00 0.00 H new ATOM 92 N GLU A 7 27.391 28.389 5.113 1.00 0.00 N ATOM 93 CA GLU A 7 26.214 28.034 5.888 1.00 0.00 C ATOM 94 C GLU A 7 25.486 29.292 6.337 1.00 0.00 C ATOM 95 O GLU A 7 24.273 29.348 6.291 1.00 0.00 O ATOM 96 CB GLU A 7 26.573 27.167 7.104 1.00 0.00 C ATOM 97 CG GLU A 7 25.360 26.587 7.822 1.00 0.00 C ATOM 98 CD GLU A 7 25.720 25.806 9.061 1.00 0.00 C ATOM 99 OE1 GLU A 7 25.956 24.596 8.979 1.00 0.00 O ATOM 100 OE2 GLU A 7 25.752 26.386 10.143 1.00 0.00 O ATOM 0 H GLU A 7 28.272 28.083 5.526 1.00 0.00 H new ATOM 0 HA GLU A 7 25.558 27.446 5.246 1.00 0.00 H new ATOM 0 HB2 GLU A 7 27.217 26.350 6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 7 27.149 27.766 7.809 1.00 0.00 H new ATOM 0 HG2 GLU A 7 24.685 27.398 8.095 1.00 0.00 H new ATOM 0 HG3 GLU A 7 24.816 25.937 7.136 1.00 0.00 H new ATOM 107 N ALA A 8 26.247 30.305 6.739 1.00 0.00 N ATOM 108 CA ALA A 8 25.682 31.590 7.164 1.00 0.00 C ATOM 109 C ALA A 8 24.854 32.214 6.041 1.00 0.00 C ATOM 110 O ALA A 8 23.712 32.656 6.264 1.00 0.00 O ATOM 111 CB ALA A 8 26.785 32.547 7.597 1.00 0.00 C ATOM 0 H ALA A 8 27.265 30.264 6.781 1.00 0.00 H new ATOM 0 HA ALA A 8 25.028 31.405 8.016 1.00 0.00 H new ATOM 0 HB1 ALA A 8 26.344 33.494 7.908 1.00 0.00 H new ATOM 0 HB2 ALA A 8 27.337 32.113 8.430 1.00 0.00 H new ATOM 0 HB3 ALA A 8 27.465 32.720 6.763 1.00 0.00 H new ATOM 117 N LEU A 9 25.420 32.202 4.838 1.00 0.00 N ATOM 118 CA LEU A 9 24.767 32.727 3.653 1.00 0.00 C ATOM 119 C LEU A 9 23.548 31.858 3.342 1.00 0.00 C ATOM 120 O LEU A 9 22.458 32.366 3.104 1.00 0.00 O ATOM 121 CB LEU A 9 25.788 32.747 2.469 1.00 0.00 C ATOM 122 CG LEU A 9 25.396 33.467 1.142 1.00 0.00 C ATOM 123 CD1 LEU A 9 26.624 33.621 0.264 1.00 0.00 C ATOM 124 CD2 LEU A 9 24.329 32.702 0.356 1.00 0.00 C ATOM 0 H LEU A 9 26.351 31.824 4.661 1.00 0.00 H new ATOM 0 HA LEU A 9 24.426 33.750 3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 9 26.706 33.208 2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 9 26.027 31.712 2.223 1.00 0.00 H new ATOM 0 HG LEU A 9 24.985 34.439 1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 9 26.348 34.124 -0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 9 27.374 34.212 0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 9 27.033 32.637 0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 9 24.092 33.245 -0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 9 24.705 31.711 0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 9 23.429 32.604 0.964 1.00 0.00 H new ATOM 136 N ARG A 10 23.741 30.550 3.395 1.00 0.00 N ATOM 137 CA ARG A 10 22.695 29.585 3.101 1.00 0.00 C ATOM 138 C ARG A 10 21.508 29.770 4.047 1.00 0.00 C ATOM 139 O ARG A 10 20.384 29.864 3.601 1.00 0.00 O ATOM 140 CB ARG A 10 23.252 28.156 3.170 1.00 0.00 C ATOM 141 CG ARG A 10 22.291 27.078 2.696 1.00 0.00 C ATOM 142 CD ARG A 10 22.958 25.710 2.699 1.00 0.00 C ATOM 143 NE ARG A 10 22.087 24.670 2.136 1.00 0.00 N ATOM 144 CZ ARG A 10 22.500 23.474 1.689 1.00 0.00 C ATOM 145 NH1 ARG A 10 23.764 23.097 1.843 1.00 0.00 N ATOM 146 NH2 ARG A 10 21.630 22.650 1.112 1.00 0.00 N ATOM 0 H ARG A 10 24.634 30.126 3.645 1.00 0.00 H new ATOM 0 HA ARG A 10 22.336 29.756 2.086 1.00 0.00 H new ATOM 0 HB2 ARG A 10 24.160 28.105 2.569 1.00 0.00 H new ATOM 0 HB3 ARG A 10 23.539 27.941 4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 10 21.413 27.059 3.342 1.00 0.00 H new ATOM 0 HG3 ARG A 10 21.942 27.314 1.691 1.00 0.00 H new ATOM 0 HD2 ARG A 10 23.883 25.757 2.125 1.00 0.00 H new ATOM 0 HD3 ARG A 10 23.229 25.442 3.720 1.00 0.00 H new ATOM 0 HE ARG A 10 21.089 24.873 2.080 1.00 0.00 H new ATOM 0 HH11 ARG A 10 24.429 23.718 2.304 1.00 0.00 H new ATOM 0 HH12 ARG A 10 24.070 22.186 1.500 1.00 0.00 H new ATOM 0 HH21 ARG A 10 20.654 22.928 1.011 1.00 0.00 H new ATOM 0 HH22 ARG A 10 21.939 21.740 0.771 1.00 0.00 H new ATOM 160 N ARG A 11 21.785 29.881 5.346 1.00 0.00 N ATOM 161 CA ARG A 11 20.741 30.099 6.377 1.00 0.00 C ATOM 162 C ARG A 11 19.939 31.366 6.082 1.00 0.00 C ATOM 163 O ARG A 11 18.708 31.393 6.226 1.00 0.00 O ATOM 164 CB ARG A 11 21.361 30.256 7.774 1.00 0.00 C ATOM 165 CG ARG A 11 22.072 29.045 8.347 1.00 0.00 C ATOM 166 CD ARG A 11 22.726 29.407 9.679 1.00 0.00 C ATOM 167 NE ARG A 11 23.417 28.278 10.302 1.00 0.00 N ATOM 168 CZ ARG A 11 23.098 27.738 11.482 1.00 0.00 C ATOM 169 NH1 ARG A 11 22.105 28.246 12.220 1.00 0.00 N ATOM 170 NH2 ARG A 11 23.800 26.725 11.938 1.00 0.00 N ATOM 0 H ARG A 11 22.731 29.824 5.724 1.00 0.00 H new ATOM 0 HA ARG A 11 20.091 29.224 6.353 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.071 31.082 7.739 1.00 0.00 H new ATOM 0 HB3 ARG A 11 20.570 30.545 8.466 1.00 0.00 H new ATOM 0 HG2 ARG A 11 21.362 28.230 8.490 1.00 0.00 H new ATOM 0 HG3 ARG A 11 22.827 28.691 7.646 1.00 0.00 H new ATOM 0 HD2 ARG A 11 23.437 30.218 9.520 1.00 0.00 H new ATOM 0 HD3 ARG A 11 21.963 29.781 10.362 1.00 0.00 H new ATOM 0 HE ARG A 11 24.204 27.871 9.796 1.00 0.00 H new ATOM 0 HH11 ARG A 11 21.582 29.054 11.884 1.00 0.00 H new ATOM 0 HH12 ARG A 11 21.871 27.825 13.119 1.00 0.00 H new ATOM 0 HH21 ARG A 11 24.580 26.358 11.392 1.00 0.00 H new ATOM 0 HH22 ARG A 11 23.565 26.305 12.838 1.00 0.00 H new ATOM 184 N GLN A 12 20.644 32.395 5.667 1.00 0.00 N ATOM 185 CA GLN A 12 20.054 33.680 5.391 1.00 0.00 C ATOM 186 C GLN A 12 19.247 33.618 4.094 1.00 0.00 C ATOM 187 O GLN A 12 18.168 34.188 3.991 1.00 0.00 O ATOM 188 CB GLN A 12 21.156 34.740 5.327 1.00 0.00 C ATOM 189 CG GLN A 12 20.671 36.172 5.227 1.00 0.00 C ATOM 190 CD GLN A 12 21.810 37.157 5.355 1.00 0.00 C ATOM 191 OE1 GLN A 12 22.152 37.584 6.454 1.00 0.00 O ATOM 192 NE2 GLN A 12 22.400 37.522 4.262 1.00 0.00 N ATOM 0 H GLN A 12 21.651 32.360 5.511 1.00 0.00 H new ATOM 0 HA GLN A 12 19.366 33.954 6.190 1.00 0.00 H new ATOM 0 HB2 GLN A 12 21.780 34.646 6.216 1.00 0.00 H new ATOM 0 HB3 GLN A 12 21.792 34.528 4.467 1.00 0.00 H new ATOM 0 HG2 GLN A 12 20.167 36.320 4.272 1.00 0.00 H new ATOM 0 HG3 GLN A 12 19.935 36.363 6.008 1.00 0.00 H new ATOM 0 HE21 GLN A 12 22.090 37.147 3.365 1.00 0.00 H new ATOM 0 HE22 GLN A 12 23.175 38.184 4.297 1.00 0.00 H new ATOM 201 N ARG A 13 19.756 32.884 3.127 1.00 0.00 N ATOM 202 CA ARG A 13 19.083 32.707 1.862 1.00 0.00 C ATOM 203 C ARG A 13 17.831 31.828 2.056 1.00 0.00 C ATOM 204 O ARG A 13 16.792 32.065 1.437 1.00 0.00 O ATOM 205 CB ARG A 13 20.029 32.078 0.835 1.00 0.00 C ATOM 206 CG ARG A 13 19.548 32.156 -0.614 1.00 0.00 C ATOM 207 CD ARG A 13 19.854 33.514 -1.277 1.00 0.00 C ATOM 208 NE ARG A 13 19.263 34.693 -0.593 1.00 0.00 N ATOM 209 CZ ARG A 13 18.649 35.716 -1.220 1.00 0.00 C ATOM 210 NH1 ARG A 13 18.507 35.708 -2.537 1.00 0.00 N ATOM 211 NH2 ARG A 13 18.188 36.747 -0.522 1.00 0.00 N ATOM 0 H ARG A 13 20.648 32.394 3.198 1.00 0.00 H new ATOM 0 HA ARG A 13 18.774 33.682 1.485 1.00 0.00 H new ATOM 0 HB2 ARG A 13 20.999 32.569 0.908 1.00 0.00 H new ATOM 0 HB3 ARG A 13 20.181 31.031 1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 13 20.020 31.361 -1.191 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.473 31.977 -0.645 1.00 0.00 H new ATOM 0 HD2 ARG A 13 20.935 33.644 -1.323 1.00 0.00 H new ATOM 0 HD3 ARG A 13 19.492 33.490 -2.305 1.00 0.00 H new ATOM 0 HE ARG A 13 19.326 34.731 0.424 1.00 0.00 H new ATOM 0 HH11 ARG A 13 18.863 34.924 -3.084 1.00 0.00 H new ATOM 0 HH12 ARG A 13 18.041 36.486 -3.004 1.00 0.00 H new ATOM 0 HH21 ARG A 13 18.298 36.767 0.492 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.724 37.520 -1.000 1.00 0.00 H new ATOM 225 N LEU A 14 17.931 30.837 2.948 1.00 0.00 N ATOM 226 CA LEU A 14 16.834 29.963 3.285 1.00 0.00 C ATOM 227 C LEU A 14 15.696 30.719 3.909 1.00 0.00 C ATOM 228 O LEU A 14 14.530 30.363 3.726 1.00 0.00 O ATOM 229 CB LEU A 14 17.297 28.918 4.240 1.00 0.00 C ATOM 230 CG LEU A 14 18.141 27.781 3.692 1.00 0.00 C ATOM 231 CD1 LEU A 14 18.618 26.915 4.836 1.00 0.00 C ATOM 232 CD2 LEU A 14 17.339 26.948 2.701 1.00 0.00 C ATOM 0 H LEU A 14 18.791 30.628 3.455 1.00 0.00 H new ATOM 0 HA LEU A 14 16.482 29.505 2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.870 29.412 5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 14 16.417 28.483 4.713 1.00 0.00 H new ATOM 0 HG LEU A 14 19.002 28.197 3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 14 19.224 26.098 4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 14 19.216 27.515 5.522 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.758 26.507 5.367 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.961 26.138 2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 14 16.465 26.530 3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 14 17.016 27.579 1.873 1.00 0.00 H new ATOM 656 N ILE A 43 1.810 -2.043 -0.280 1.00 0.00 N ATOM 657 CA ILE A 43 1.120 -3.323 -0.168 1.00 0.00 C ATOM 658 C ILE A 43 0.055 -3.494 -1.250 1.00 0.00 C ATOM 659 O ILE A 43 -0.068 -4.572 -1.824 1.00 0.00 O ATOM 660 CB ILE A 43 0.534 -3.605 1.251 1.00 0.00 C ATOM 661 CG1 ILE A 43 -0.466 -2.519 1.681 1.00 0.00 C ATOM 662 CG2 ILE A 43 1.662 -3.757 2.272 1.00 0.00 C ATOM 663 CD1 ILE A 43 -1.065 -2.731 3.057 1.00 0.00 C ATOM 0 HA ILE A 43 1.892 -4.076 -0.328 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.018 -4.544 1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.036 -1.552 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.273 -2.475 0.949 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.238 -3.953 3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.306 -4.588 1.982 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.248 -2.839 2.306 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.759 -1.920 3.281 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.598 -3.681 3.079 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.270 -2.744 3.802 1.00 0.00 H new ATOM 675 N LEU A 44 -0.659 -2.414 -1.578 1.00 0.00 N ATOM 676 CA LEU A 44 -1.677 -2.465 -2.628 1.00 0.00 C ATOM 677 C LEU A 44 -1.038 -2.783 -3.978 1.00 0.00 C ATOM 678 O LEU A 44 -1.570 -3.554 -4.758 1.00 0.00 O ATOM 679 CB LEU A 44 -2.469 -1.149 -2.713 1.00 0.00 C ATOM 680 CG LEU A 44 -3.290 -0.757 -1.473 1.00 0.00 C ATOM 681 CD1 LEU A 44 -3.988 0.573 -1.698 1.00 0.00 C ATOM 682 CD2 LEU A 44 -4.305 -1.836 -1.121 1.00 0.00 C ATOM 0 H LEU A 44 -0.552 -1.501 -1.135 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.376 -3.260 -2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.767 -0.342 -2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.147 -1.214 -3.564 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.602 -0.655 -0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.565 0.836 -0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.244 1.346 -1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.657 0.493 -2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.870 -1.531 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.988 -1.980 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.785 -2.771 -0.912 1.00 0.00 H new ATOM 694 N ALA A 45 0.129 -2.220 -4.220 1.00 0.00 N ATOM 695 CA ALA A 45 0.855 -2.447 -5.465 1.00 0.00 C ATOM 696 C ALA A 45 1.421 -3.871 -5.543 1.00 0.00 C ATOM 697 O ALA A 45 1.778 -4.353 -6.621 1.00 0.00 O ATOM 698 CB ALA A 45 1.969 -1.421 -5.631 1.00 0.00 C ATOM 0 H ALA A 45 0.603 -1.595 -3.567 1.00 0.00 H new ATOM 0 HA ALA A 45 0.144 -2.330 -6.283 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.499 -1.607 -6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.541 -0.419 -5.650 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.666 -1.502 -4.797 1.00 0.00 H new ATOM 704 N GLN A 46 1.528 -4.535 -4.406 1.00 0.00 N ATOM 705 CA GLN A 46 2.070 -5.881 -4.385 1.00 0.00 C ATOM 706 C GLN A 46 0.969 -6.931 -4.438 1.00 0.00 C ATOM 707 O GLN A 46 1.164 -7.983 -5.017 1.00 0.00 O ATOM 708 CB GLN A 46 2.959 -6.123 -3.163 1.00 0.00 C ATOM 709 CG GLN A 46 4.066 -5.083 -2.882 1.00 0.00 C ATOM 710 CD GLN A 46 5.151 -4.884 -3.964 1.00 0.00 C ATOM 711 OE1 GLN A 46 4.815 -4.916 -5.231 1.00 0.00 O flip ATOM 712 NE2 GLN A 46 6.295 -4.599 -3.622 1.00 0.00 N flip ATOM 0 H GLN A 46 1.250 -4.169 -3.495 1.00 0.00 H new ATOM 0 HA GLN A 46 2.686 -5.976 -5.279 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.317 -6.180 -2.284 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.432 -7.098 -3.276 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.586 -4.120 -2.706 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.564 -5.365 -1.954 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.541 -4.578 -2.632 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.999 -4.383 -4.327 1.00 0.00 H new ATOM 721 N VAL A 47 -0.170 -6.656 -3.831 1.00 0.00 N ATOM 722 CA VAL A 47 -1.253 -7.638 -3.827 1.00 0.00 C ATOM 723 C VAL A 47 -2.271 -7.398 -4.918 1.00 0.00 C ATOM 724 O VAL A 47 -3.126 -8.233 -5.165 1.00 0.00 O ATOM 725 CB VAL A 47 -1.949 -7.793 -2.453 1.00 0.00 C ATOM 726 CG1 VAL A 47 -0.955 -8.278 -1.411 1.00 0.00 C ATOM 727 CG2 VAL A 47 -2.607 -6.490 -2.009 1.00 0.00 C ATOM 0 H VAL A 47 -0.373 -5.784 -3.343 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.757 -8.585 -4.038 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.738 -8.538 -2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.458 -8.383 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.550 -9.243 -1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.143 -7.557 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.086 -6.636 -1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.850 -5.710 -1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.356 -6.192 -2.743 1.00 0.00 H new ATOM 737 N LEU A 48 -2.198 -6.279 -5.567 1.00 0.00 N ATOM 738 CA LEU A 48 -3.080 -6.022 -6.665 1.00 0.00 C ATOM 739 C LEU A 48 -2.329 -5.971 -7.951 1.00 0.00 C ATOM 740 O LEU A 48 -1.304 -5.283 -8.073 1.00 0.00 O ATOM 741 CB LEU A 48 -3.887 -4.739 -6.487 1.00 0.00 C ATOM 742 CG LEU A 48 -4.957 -4.744 -5.402 1.00 0.00 C ATOM 743 CD1 LEU A 48 -5.583 -3.364 -5.273 1.00 0.00 C ATOM 744 CD2 LEU A 48 -6.021 -5.772 -5.733 1.00 0.00 C ATOM 0 H LEU A 48 -1.539 -5.529 -5.358 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.786 -6.852 -6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.191 -3.927 -6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.368 -4.506 -7.437 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.494 -5.006 -4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.346 -3.382 -4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.813 -2.638 -5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.039 -3.081 -6.222 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.783 -5.771 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.480 -5.525 -6.690 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.566 -6.760 -5.794 1.00 0.00 H new ATOM 756 N ASP A 49 -2.822 -6.703 -8.901 1.00 0.00 N ATOM 757 CA ASP A 49 -2.298 -6.694 -10.236 1.00 0.00 C ATOM 758 C ASP A 49 -2.740 -5.400 -10.878 1.00 0.00 C ATOM 759 O ASP A 49 -3.756 -4.814 -10.463 1.00 0.00 O ATOM 760 CB ASP A 49 -2.849 -7.890 -11.031 1.00 0.00 C ATOM 761 CG ASP A 49 -2.289 -7.998 -12.430 1.00 0.00 C ATOM 762 OD1 ASP A 49 -1.246 -8.647 -12.614 1.00 0.00 O ATOM 763 OD2 ASP A 49 -2.884 -7.433 -13.381 1.00 0.00 O ATOM 0 H ASP A 49 -3.612 -7.334 -8.771 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.211 -6.772 -10.224 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.627 -8.809 -10.488 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.934 -7.808 -11.089 1.00 0.00 H new ATOM 768 N GLN A 50 -2.005 -4.954 -11.862 1.00 0.00 N ATOM 769 CA GLN A 50 -2.287 -3.708 -12.574 1.00 0.00 C ATOM 770 C GLN A 50 -3.726 -3.681 -13.117 1.00 0.00 C ATOM 771 O GLN A 50 -4.361 -2.627 -13.147 1.00 0.00 O ATOM 772 CB GLN A 50 -1.277 -3.516 -13.701 1.00 0.00 C ATOM 773 CG GLN A 50 -1.452 -2.241 -14.506 1.00 0.00 C ATOM 774 CD GLN A 50 -0.394 -2.095 -15.571 1.00 0.00 C ATOM 775 OE1 GLN A 50 0.736 -2.554 -15.417 1.00 0.00 O ATOM 776 NE2 GLN A 50 -0.756 -1.483 -16.668 1.00 0.00 N ATOM 0 H GLN A 50 -1.179 -5.443 -12.206 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.193 -2.882 -11.869 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.274 -3.525 -13.275 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.344 -4.368 -14.378 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.438 -2.239 -14.971 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.414 -1.382 -13.837 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.703 -1.116 -16.758 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.091 -1.373 -17.434 1.00 0.00 H new ATOM 785 N SER A 51 -4.247 -4.843 -13.468 1.00 0.00 N ATOM 786 CA SER A 51 -5.589 -4.953 -13.985 1.00 0.00 C ATOM 787 C SER A 51 -6.602 -4.546 -12.915 1.00 0.00 C ATOM 788 O SER A 51 -7.509 -3.747 -13.158 1.00 0.00 O ATOM 789 CB SER A 51 -5.828 -6.384 -14.437 1.00 0.00 C ATOM 790 OG SER A 51 -5.497 -7.298 -13.394 1.00 0.00 O ATOM 0 H SER A 51 -3.750 -5.731 -13.401 1.00 0.00 H new ATOM 0 HA SER A 51 -5.713 -4.283 -14.836 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.872 -6.512 -14.723 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.227 -6.598 -15.321 1.00 0.00 H new ATOM 0 HG SER A 51 -4.558 -7.566 -13.479 1.00 0.00 H new ATOM 796 N ALA A 52 -6.398 -5.064 -11.719 1.00 0.00 N ATOM 797 CA ALA A 52 -7.253 -4.796 -10.592 1.00 0.00 C ATOM 798 C ALA A 52 -7.173 -3.341 -10.201 1.00 0.00 C ATOM 799 O ALA A 52 -8.157 -2.751 -9.824 1.00 0.00 O ATOM 800 CB ALA A 52 -6.886 -5.686 -9.432 1.00 0.00 C ATOM 0 H ALA A 52 -5.622 -5.690 -11.506 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.283 -5.013 -10.876 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.541 -5.472 -8.588 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.000 -6.730 -9.724 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.851 -5.501 -9.145 1.00 0.00 H new ATOM 806 N ARG A 53 -6.003 -2.762 -10.331 1.00 0.00 N ATOM 807 CA ARG A 53 -5.826 -1.354 -10.033 1.00 0.00 C ATOM 808 C ARG A 53 -6.535 -0.472 -11.067 1.00 0.00 C ATOM 809 O ARG A 53 -7.044 0.606 -10.742 1.00 0.00 O ATOM 810 CB ARG A 53 -4.355 -1.022 -9.867 1.00 0.00 C ATOM 811 CG ARG A 53 -3.802 -1.587 -8.573 1.00 0.00 C ATOM 812 CD ARG A 53 -2.524 -2.356 -8.774 1.00 0.00 C ATOM 813 NE ARG A 53 -1.419 -1.516 -9.235 1.00 0.00 N ATOM 814 CZ ARG A 53 -0.141 -1.895 -9.307 1.00 0.00 C ATOM 815 NH1 ARG A 53 0.232 -3.120 -8.913 1.00 0.00 N ATOM 816 NH2 ARG A 53 0.762 -1.044 -9.759 1.00 0.00 N ATOM 0 H ARG A 53 -5.157 -3.241 -10.641 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.303 -1.135 -9.078 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.793 -1.423 -10.710 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.221 0.060 -9.880 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.624 -0.771 -7.872 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.547 -2.241 -8.119 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.243 -2.834 -7.836 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.695 -3.152 -9.499 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.643 -0.564 -9.525 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.463 -3.774 -8.554 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.211 -3.399 -8.973 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.480 -0.108 -10.049 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.741 -1.323 -9.818 1.00 0.00 H new ATOM 830 N ALA A 54 -6.612 -0.957 -12.295 1.00 0.00 N ATOM 831 CA ALA A 54 -7.371 -0.286 -13.331 1.00 0.00 C ATOM 832 C ALA A 54 -8.864 -0.415 -13.020 1.00 0.00 C ATOM 833 O ALA A 54 -9.611 0.568 -13.074 1.00 0.00 O ATOM 834 CB ALA A 54 -7.046 -0.862 -14.707 1.00 0.00 C ATOM 0 H ALA A 54 -6.155 -1.817 -12.597 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.098 0.769 -13.350 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.629 -0.341 -15.466 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.983 -0.733 -14.914 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.293 -1.923 -14.725 1.00 0.00 H new ATOM 840 N ARG A 55 -9.286 -1.630 -12.660 1.00 0.00 N ATOM 841 CA ARG A 55 -10.648 -1.914 -12.261 1.00 0.00 C ATOM 842 C ARG A 55 -11.047 -1.019 -11.081 1.00 0.00 C ATOM 843 O ARG A 55 -12.128 -0.437 -11.062 1.00 0.00 O ATOM 844 CB ARG A 55 -10.752 -3.377 -11.828 1.00 0.00 C ATOM 845 CG ARG A 55 -12.171 -3.859 -11.620 1.00 0.00 C ATOM 846 CD ARG A 55 -12.862 -4.218 -12.939 1.00 0.00 C ATOM 847 NE ARG A 55 -12.750 -3.195 -13.982 1.00 0.00 N ATOM 848 CZ ARG A 55 -13.761 -2.517 -14.528 1.00 0.00 C ATOM 849 NH1 ARG A 55 -15.004 -2.673 -14.083 1.00 0.00 N ATOM 850 NH2 ARG A 55 -13.517 -1.695 -15.538 1.00 0.00 N ATOM 0 H ARG A 55 -8.676 -2.447 -12.641 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.313 -1.722 -13.103 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.274 -4.003 -12.581 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.194 -3.511 -10.901 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.164 -4.732 -10.967 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.745 -3.084 -11.111 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.438 -5.150 -13.315 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.918 -4.404 -12.742 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.812 -2.981 -14.322 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.194 -3.317 -13.315 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.768 -2.148 -14.509 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.565 -1.587 -15.889 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.281 -1.171 -15.965 1.00 0.00 H new ATOM 864 N LEU A 56 -10.137 -0.914 -10.128 1.00 0.00 N ATOM 865 CA LEU A 56 -10.290 -0.118 -8.917 1.00 0.00 C ATOM 866 C LEU A 56 -10.538 1.350 -9.264 1.00 0.00 C ATOM 867 O LEU A 56 -11.404 2.000 -8.681 1.00 0.00 O ATOM 868 CB LEU A 56 -9.012 -0.255 -8.071 1.00 0.00 C ATOM 869 CG LEU A 56 -8.984 0.442 -6.715 1.00 0.00 C ATOM 870 CD1 LEU A 56 -10.033 -0.147 -5.795 1.00 0.00 C ATOM 871 CD2 LEU A 56 -7.606 0.315 -6.090 1.00 0.00 C ATOM 0 H LEU A 56 -9.239 -1.396 -10.175 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.149 -0.479 -8.352 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.830 -1.317 -7.906 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.177 0.124 -8.660 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.207 1.499 -6.863 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.999 0.362 -4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.020 -0.018 -6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.836 -1.209 -5.651 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.598 0.816 -5.122 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.364 -0.739 -5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.866 0.776 -6.744 1.00 0.00 H new ATOM 883 N SER A 57 -9.801 1.847 -10.241 1.00 0.00 N ATOM 884 CA SER A 57 -9.936 3.218 -10.673 1.00 0.00 C ATOM 885 C SER A 57 -11.314 3.431 -11.315 1.00 0.00 C ATOM 886 O SER A 57 -11.988 4.410 -11.036 1.00 0.00 O ATOM 887 CB SER A 57 -8.796 3.584 -11.643 1.00 0.00 C ATOM 888 OG SER A 57 -8.802 4.967 -11.967 1.00 0.00 O ATOM 0 H SER A 57 -9.098 1.312 -10.751 1.00 0.00 H new ATOM 0 HA SER A 57 -9.862 3.879 -9.810 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.838 3.320 -11.194 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.893 2.996 -12.556 1.00 0.00 H new ATOM 0 HG SER A 57 -8.065 5.162 -12.582 1.00 0.00 H new ATOM 894 N ASN A 58 -11.749 2.467 -12.121 1.00 0.00 N ATOM 895 CA ASN A 58 -13.070 2.529 -12.774 1.00 0.00 C ATOM 896 C ASN A 58 -14.194 2.449 -11.742 1.00 0.00 C ATOM 897 O ASN A 58 -15.284 2.997 -11.936 1.00 0.00 O ATOM 898 CB ASN A 58 -13.239 1.396 -13.808 1.00 0.00 C ATOM 899 CG ASN A 58 -12.486 1.612 -15.122 1.00 0.00 C ATOM 900 OD1 ASN A 58 -13.029 2.171 -16.074 1.00 0.00 O ATOM 901 ND2 ASN A 58 -11.255 1.161 -15.199 1.00 0.00 N ATOM 0 H ASN A 58 -11.212 1.629 -12.343 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.128 3.486 -13.292 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.901 0.461 -13.361 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.300 1.279 -14.028 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.725 1.270 -16.064 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.829 0.701 -14.394 1.00 0.00 H new ATOM 908 N LEU A 59 -13.909 1.777 -10.643 1.00 0.00 N ATOM 909 CA LEU A 59 -14.855 1.565 -9.557 1.00 0.00 C ATOM 910 C LEU A 59 -15.072 2.880 -8.804 1.00 0.00 C ATOM 911 O LEU A 59 -16.175 3.180 -8.342 1.00 0.00 O ATOM 912 CB LEU A 59 -14.281 0.486 -8.617 1.00 0.00 C ATOM 913 CG LEU A 59 -15.264 -0.327 -7.734 1.00 0.00 C ATOM 914 CD1 LEU A 59 -15.927 0.516 -6.655 1.00 0.00 C ATOM 915 CD2 LEU A 59 -16.313 -1.005 -8.599 1.00 0.00 C ATOM 0 H LEU A 59 -12.996 1.354 -10.474 1.00 0.00 H new ATOM 0 HA LEU A 59 -15.817 1.232 -9.946 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.721 -0.222 -9.228 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.564 0.971 -7.954 1.00 0.00 H new ATOM 0 HG LEU A 59 -14.673 -1.085 -7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -16.603 -0.108 -6.070 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -15.163 0.936 -6.001 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -16.491 1.325 -7.120 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -16.996 -1.572 -7.966 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -16.873 -0.250 -9.151 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.824 -1.680 -9.301 1.00 0.00 H new ATOM 927 N ALA A 60 -14.020 3.668 -8.711 1.00 0.00 N ATOM 928 CA ALA A 60 -14.075 4.974 -8.035 1.00 0.00 C ATOM 929 C ALA A 60 -15.127 5.889 -8.682 1.00 0.00 C ATOM 930 O ALA A 60 -15.733 6.733 -8.022 1.00 0.00 O ATOM 931 CB ALA A 60 -12.709 5.640 -8.058 1.00 0.00 C ATOM 0 H ALA A 60 -13.104 3.435 -9.094 1.00 0.00 H new ATOM 0 HA ALA A 60 -14.366 4.805 -6.998 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -12.766 6.605 -7.554 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.986 5.005 -7.545 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.394 5.788 -9.091 1.00 0.00 H new ATOM 937 N LEU A 61 -15.370 5.673 -9.965 1.00 0.00 N ATOM 938 CA LEU A 61 -16.339 6.450 -10.726 1.00 0.00 C ATOM 939 C LEU A 61 -17.788 6.077 -10.391 1.00 0.00 C ATOM 940 O LEU A 61 -18.713 6.833 -10.710 1.00 0.00 O ATOM 941 CB LEU A 61 -16.108 6.320 -12.248 1.00 0.00 C ATOM 942 CG LEU A 61 -14.970 7.150 -12.887 1.00 0.00 C ATOM 943 CD1 LEU A 61 -13.604 6.789 -12.336 1.00 0.00 C ATOM 944 CD2 LEU A 61 -14.990 6.987 -14.398 1.00 0.00 C ATOM 0 H LEU A 61 -14.900 4.951 -10.511 1.00 0.00 H new ATOM 0 HA LEU A 61 -16.182 7.488 -10.432 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -15.918 5.269 -12.468 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -17.038 6.587 -12.750 1.00 0.00 H new ATOM 0 HG LEU A 61 -15.150 8.194 -12.629 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -12.843 7.402 -12.819 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -13.586 6.969 -11.261 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -13.400 5.736 -12.531 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -14.185 7.575 -14.838 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -14.852 5.936 -14.652 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -15.947 7.332 -14.789 1.00 0.00 H new ATOM 956 N VAL A 62 -18.003 4.936 -9.761 1.00 0.00 N ATOM 957 CA VAL A 62 -19.364 4.528 -9.455 1.00 0.00 C ATOM 958 C VAL A 62 -19.735 4.777 -7.993 1.00 0.00 C ATOM 959 O VAL A 62 -20.729 5.450 -7.711 1.00 0.00 O ATOM 960 CB VAL A 62 -19.709 3.078 -9.933 1.00 0.00 C ATOM 961 CG1 VAL A 62 -19.583 2.986 -11.439 1.00 0.00 C ATOM 962 CG2 VAL A 62 -18.836 2.018 -9.280 1.00 0.00 C ATOM 0 H VAL A 62 -17.275 4.290 -9.458 1.00 0.00 H new ATOM 0 HA VAL A 62 -20.003 5.180 -10.050 1.00 0.00 H new ATOM 0 HB VAL A 62 -20.737 2.881 -9.629 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -19.825 1.974 -11.763 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -20.272 3.691 -11.905 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -18.562 3.227 -11.734 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -19.121 1.033 -9.650 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -17.790 2.208 -9.522 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -18.970 2.052 -8.199 1.00 0.00 H new ATOM 972 N LYS A 63 -18.932 4.265 -7.076 1.00 0.00 N ATOM 973 CA LYS A 63 -19.120 4.480 -5.644 1.00 0.00 C ATOM 974 C LYS A 63 -17.790 4.425 -4.935 1.00 0.00 C ATOM 975 O LYS A 63 -17.278 3.330 -4.675 1.00 0.00 O ATOM 976 CB LYS A 63 -20.094 3.471 -4.973 1.00 0.00 C ATOM 977 CG LYS A 63 -21.574 3.698 -5.258 1.00 0.00 C ATOM 978 CD LYS A 63 -22.468 2.842 -4.365 1.00 0.00 C ATOM 979 CE LYS A 63 -22.406 1.364 -4.714 1.00 0.00 C ATOM 980 NZ LYS A 63 -23.003 1.080 -6.034 1.00 0.00 N ATOM 0 H LYS A 63 -18.125 3.684 -7.302 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.575 5.466 -5.550 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -19.829 2.465 -5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -19.940 3.507 -3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -21.814 4.751 -5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -21.781 3.469 -6.303 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -22.172 2.978 -3.325 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -23.498 3.188 -4.451 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -21.367 1.034 -4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -22.928 0.789 -3.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -23.126 0.053 -6.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -23.929 1.549 -6.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -22.376 1.437 -6.783 1.00 0.00 H new ATOM 994 N PRO A 64 -17.218 5.599 -4.585 1.00 0.00 N ATOM 995 CA PRO A 64 -15.908 5.690 -3.909 1.00 0.00 C ATOM 996 C PRO A 64 -15.915 4.982 -2.557 1.00 0.00 C ATOM 997 O PRO A 64 -14.872 4.554 -2.048 1.00 0.00 O ATOM 998 CB PRO A 64 -15.700 7.197 -3.707 1.00 0.00 C ATOM 999 CG PRO A 64 -16.618 7.852 -4.677 1.00 0.00 C ATOM 1000 CD PRO A 64 -17.798 6.939 -4.820 1.00 0.00 C ATOM 0 HA PRO A 64 -15.120 5.214 -4.493 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -15.932 7.493 -2.684 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.664 7.480 -3.893 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.927 8.834 -4.318 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.125 8.004 -5.637 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -18.578 7.173 -4.096 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -18.249 7.015 -5.810 1.00 0.00 H new ATOM 1008 N GLU A 65 -17.101 4.832 -1.999 1.00 0.00 N ATOM 1009 CA GLU A 65 -17.274 4.167 -0.731 1.00 0.00 C ATOM 1010 C GLU A 65 -16.941 2.692 -0.818 1.00 0.00 C ATOM 1011 O GLU A 65 -16.437 2.110 0.137 1.00 0.00 O ATOM 1012 CB GLU A 65 -18.679 4.377 -0.175 1.00 0.00 C ATOM 1013 CG GLU A 65 -18.862 5.662 0.628 1.00 0.00 C ATOM 1014 CD GLU A 65 -18.425 6.905 -0.095 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -19.208 7.449 -0.905 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -17.297 7.376 0.154 1.00 0.00 O ATOM 0 H GLU A 65 -17.969 5.169 -2.415 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.568 4.622 -0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -19.387 4.379 -1.004 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -18.934 3.529 0.460 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -19.913 5.762 0.898 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -18.300 5.579 1.558 1.00 0.00 H new ATOM 1023 N LYS A 66 -17.221 2.074 -1.943 1.00 0.00 N ATOM 1024 CA LYS A 66 -16.897 0.676 -2.084 1.00 0.00 C ATOM 1025 C LYS A 66 -15.409 0.534 -2.411 1.00 0.00 C ATOM 1026 O LYS A 66 -14.774 -0.442 -2.029 1.00 0.00 O ATOM 1027 CB LYS A 66 -17.793 -0.058 -3.110 1.00 0.00 C ATOM 1028 CG LYS A 66 -19.291 0.312 -3.049 1.00 0.00 C ATOM 1029 CD LYS A 66 -19.900 0.224 -1.640 1.00 0.00 C ATOM 1030 CE LYS A 66 -19.809 -1.165 -1.040 1.00 0.00 C ATOM 1031 NZ LYS A 66 -20.422 -1.232 0.312 1.00 0.00 N ATOM 0 H LYS A 66 -17.662 2.506 -2.755 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.103 0.185 -1.133 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.422 0.155 -4.112 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.693 -1.132 -2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.420 1.326 -3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -19.845 -0.349 -3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.390 0.931 -0.985 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -20.946 0.527 -1.683 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.306 -1.877 -1.699 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.763 -1.465 -0.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.970 -1.991 0.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.286 -0.324 0.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.439 -1.428 0.223 1.00 0.00 H new ATOM 1045 N THR A 67 -14.862 1.545 -3.102 1.00 0.00 N ATOM 1046 CA THR A 67 -13.450 1.599 -3.472 1.00 0.00 C ATOM 1047 C THR A 67 -12.578 1.575 -2.211 1.00 0.00 C ATOM 1048 O THR A 67 -11.684 0.748 -2.072 1.00 0.00 O ATOM 1049 CB THR A 67 -13.175 2.915 -4.207 1.00 0.00 C ATOM 1050 OG1 THR A 67 -14.264 3.176 -5.105 1.00 0.00 O ATOM 1051 CG2 THR A 67 -11.882 2.839 -5.005 1.00 0.00 C ATOM 0 H THR A 67 -15.397 2.353 -3.420 1.00 0.00 H new ATOM 0 HA THR A 67 -13.218 0.743 -4.105 1.00 0.00 H new ATOM 0 HB THR A 67 -13.078 3.713 -3.471 1.00 0.00 H new ATOM 0 HG1 THR A 67 -14.014 2.901 -6.012 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.713 3.787 -5.516 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.050 2.637 -4.331 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.955 2.038 -5.741 1.00 0.00 H new ATOM 1059 N LYS A 68 -12.891 2.459 -1.279 1.00 0.00 N ATOM 1060 CA LYS A 68 -12.154 2.553 -0.032 1.00 0.00 C ATOM 1061 C LYS A 68 -12.318 1.280 0.802 1.00 0.00 C ATOM 1062 O LYS A 68 -11.409 0.891 1.535 1.00 0.00 O ATOM 1063 CB LYS A 68 -12.550 3.821 0.743 1.00 0.00 C ATOM 1064 CG LYS A 68 -14.028 3.918 1.060 1.00 0.00 C ATOM 1065 CD LYS A 68 -14.425 5.277 1.616 1.00 0.00 C ATOM 1066 CE LYS A 68 -14.147 6.401 0.627 1.00 0.00 C ATOM 1067 NZ LYS A 68 -14.779 7.670 1.039 1.00 0.00 N ATOM 0 H LYS A 68 -13.657 3.127 -1.365 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.092 2.641 -0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.987 3.854 1.676 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.256 4.695 0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -14.603 3.719 0.155 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.291 3.145 1.781 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.485 5.270 1.868 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.879 5.464 2.541 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.070 6.545 0.536 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.515 6.116 -0.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.509 8.424 0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.813 7.560 1.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.460 7.922 1.996 1.00 0.00 H new ATOM 1081 N ALA A 69 -13.473 0.629 0.669 1.00 0.00 N ATOM 1082 CA ALA A 69 -13.753 -0.608 1.367 1.00 0.00 C ATOM 1083 C ALA A 69 -12.908 -1.753 0.807 1.00 0.00 C ATOM 1084 O ALA A 69 -12.349 -2.550 1.574 1.00 0.00 O ATOM 1085 CB ALA A 69 -15.235 -0.942 1.301 1.00 0.00 C ATOM 0 H ALA A 69 -14.235 0.951 0.073 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.484 -0.474 2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.422 -1.875 1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -15.810 -0.140 1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.537 -1.051 0.259 1.00 0.00 H new ATOM 1091 N VAL A 70 -12.801 -1.838 -0.526 1.00 0.00 N ATOM 1092 CA VAL A 70 -11.975 -2.873 -1.126 1.00 0.00 C ATOM 1093 C VAL A 70 -10.495 -2.603 -0.878 1.00 0.00 C ATOM 1094 O VAL A 70 -9.759 -3.524 -0.542 1.00 0.00 O ATOM 1095 CB VAL A 70 -12.264 -3.163 -2.642 1.00 0.00 C ATOM 1096 CG1 VAL A 70 -13.684 -3.634 -2.841 1.00 0.00 C ATOM 1097 CG2 VAL A 70 -11.998 -1.968 -3.525 1.00 0.00 C ATOM 0 H VAL A 70 -13.266 -1.216 -1.188 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.260 -3.793 -0.616 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.574 -3.953 -2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.858 -3.828 -3.899 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.847 -4.550 -2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.374 -2.865 -2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.215 -2.226 -4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.635 -1.139 -3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.952 -1.675 -3.435 1.00 0.00 H new ATOM 1107 N GLU A 71 -10.073 -1.326 -0.978 1.00 0.00 N ATOM 1108 CA GLU A 71 -8.690 -0.947 -0.675 1.00 0.00 C ATOM 1109 C GLU A 71 -8.337 -1.371 0.743 1.00 0.00 C ATOM 1110 O GLU A 71 -7.292 -1.976 0.978 1.00 0.00 O ATOM 1111 CB GLU A 71 -8.448 0.568 -0.843 1.00 0.00 C ATOM 1112 CG GLU A 71 -8.456 1.085 -2.271 1.00 0.00 C ATOM 1113 CD GLU A 71 -8.061 2.549 -2.339 1.00 0.00 C ATOM 1114 OE1 GLU A 71 -8.848 3.414 -1.893 1.00 0.00 O ATOM 1115 OE2 GLU A 71 -6.948 2.867 -2.819 1.00 0.00 O ATOM 0 H GLU A 71 -10.670 -0.550 -1.264 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.047 -1.462 -1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.212 1.103 -0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.487 0.815 -0.393 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.769 0.494 -2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.450 0.956 -2.700 1.00 0.00 H new ATOM 1122 N ASN A 72 -9.253 -1.091 1.673 1.00 0.00 N ATOM 1123 CA ASN A 72 -9.114 -1.451 3.066 1.00 0.00 C ATOM 1124 C ASN A 72 -8.953 -2.955 3.225 1.00 0.00 C ATOM 1125 O ASN A 72 -8.123 -3.425 4.009 1.00 0.00 O ATOM 1126 CB ASN A 72 -10.348 -1.002 3.834 1.00 0.00 C ATOM 1127 CG ASN A 72 -10.229 -1.277 5.298 1.00 0.00 C ATOM 1128 OD1 ASN A 72 -10.594 -2.348 5.780 1.00 0.00 O ATOM 1129 ND2 ASN A 72 -9.735 -0.323 6.013 1.00 0.00 N ATOM 0 H ASN A 72 -10.122 -0.600 1.465 1.00 0.00 H new ATOM 0 HA ASN A 72 -8.225 -0.958 3.459 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.504 0.065 3.677 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.226 -1.513 3.440 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.634 -0.441 7.021 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.445 0.549 5.570 1.00 0.00 H new ATOM 1136 N TYR A 73 -9.733 -3.705 2.462 1.00 0.00 N ATOM 1137 CA TYR A 73 -9.699 -5.140 2.541 1.00 0.00 C ATOM 1138 C TYR A 73 -8.353 -5.675 2.081 1.00 0.00 C ATOM 1139 O TYR A 73 -7.786 -6.545 2.729 1.00 0.00 O ATOM 1140 CB TYR A 73 -10.840 -5.783 1.751 1.00 0.00 C ATOM 1141 CG TYR A 73 -10.906 -7.272 1.957 1.00 0.00 C ATOM 1142 CD1 TYR A 73 -11.503 -7.795 3.085 1.00 0.00 C ATOM 1143 CD2 TYR A 73 -10.350 -8.157 1.038 1.00 0.00 C ATOM 1144 CE1 TYR A 73 -11.546 -9.145 3.299 1.00 0.00 C ATOM 1145 CE2 TYR A 73 -10.395 -9.516 1.245 1.00 0.00 C ATOM 1146 CZ TYR A 73 -10.994 -10.000 2.380 1.00 0.00 C ATOM 1147 OH TYR A 73 -11.042 -11.351 2.603 1.00 0.00 O ATOM 0 H TYR A 73 -10.396 -3.333 1.782 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.838 -5.410 3.588 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -11.786 -5.334 2.052 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.710 -5.570 0.690 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -11.944 -7.128 3.811 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.876 -7.770 0.148 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.014 -9.537 4.190 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.964 -10.194 0.523 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.609 -11.821 1.860 1.00 0.00 H new ATOM 1157 N LEU A 74 -7.837 -5.139 0.979 1.00 0.00 N ATOM 1158 CA LEU A 74 -6.521 -5.551 0.494 1.00 0.00 C ATOM 1159 C LEU A 74 -5.440 -5.223 1.498 1.00 0.00 C ATOM 1160 O LEU A 74 -4.509 -5.997 1.657 1.00 0.00 O ATOM 1161 CB LEU A 74 -6.159 -5.021 -0.905 1.00 0.00 C ATOM 1162 CG LEU A 74 -6.766 -5.747 -2.130 1.00 0.00 C ATOM 1163 CD1 LEU A 74 -6.372 -7.218 -2.159 1.00 0.00 C ATOM 1164 CD2 LEU A 74 -8.269 -5.595 -2.206 1.00 0.00 C ATOM 0 H LEU A 74 -8.300 -4.429 0.411 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.585 -6.633 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.457 -3.974 -0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.074 -5.048 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.347 -5.263 -3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.816 -7.696 -3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.287 -7.303 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.731 -7.709 -1.255 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.644 -6.123 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.723 -6.015 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.524 -4.538 -2.282 1.00 0.00 H new ATOM 1176 N ILE A 75 -5.570 -4.074 2.176 1.00 0.00 N ATOM 1177 CA ILE A 75 -4.648 -3.702 3.257 1.00 0.00 C ATOM 1178 C ILE A 75 -4.606 -4.829 4.290 1.00 0.00 C ATOM 1179 O ILE A 75 -3.544 -5.324 4.635 1.00 0.00 O ATOM 1180 CB ILE A 75 -5.076 -2.376 3.973 1.00 0.00 C ATOM 1181 CG1 ILE A 75 -5.054 -1.192 2.997 1.00 0.00 C ATOM 1182 CG2 ILE A 75 -4.185 -2.086 5.191 1.00 0.00 C ATOM 1183 CD1 ILE A 75 -5.533 0.117 3.604 1.00 0.00 C ATOM 0 H ILE A 75 -6.303 -3.388 1.995 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.666 -3.540 2.811 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.098 -2.510 4.327 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.038 -1.059 2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.678 -1.432 2.136 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.508 -1.159 5.666 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.266 -2.906 5.904 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.149 -1.986 4.868 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.488 0.905 2.852 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.561 0.003 3.949 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.894 0.383 4.447 1.00 0.00 H new ATOM 1195 N GLN A 76 -5.781 -5.256 4.715 1.00 0.00 N ATOM 1196 CA GLN A 76 -5.935 -6.324 5.697 1.00 0.00 C ATOM 1197 C GLN A 76 -5.397 -7.648 5.175 1.00 0.00 C ATOM 1198 O GLN A 76 -4.625 -8.323 5.846 1.00 0.00 O ATOM 1199 CB GLN A 76 -7.405 -6.458 6.073 1.00 0.00 C ATOM 1200 CG GLN A 76 -7.922 -5.243 6.793 1.00 0.00 C ATOM 1201 CD GLN A 76 -9.418 -5.237 7.003 1.00 0.00 C ATOM 1202 OE1 GLN A 76 -10.200 -5.774 6.198 1.00 0.00 O ATOM 1203 NE2 GLN A 76 -9.833 -4.642 8.079 1.00 0.00 N ATOM 0 H GLN A 76 -6.667 -4.870 4.387 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.353 -6.064 6.581 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.995 -6.622 5.171 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.538 -7.336 6.705 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.430 -5.173 7.763 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.642 -4.354 6.228 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.162 -4.213 8.716 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.831 -4.604 8.288 1.00 0.00 H new ATOM 1212 N MET A 77 -5.774 -7.977 3.971 1.00 0.00 N ATOM 1213 CA MET A 77 -5.389 -9.221 3.318 1.00 0.00 C ATOM 1214 C MET A 77 -3.854 -9.300 3.160 1.00 0.00 C ATOM 1215 O MET A 77 -3.225 -10.352 3.421 1.00 0.00 O ATOM 1216 CB MET A 77 -6.097 -9.286 1.968 1.00 0.00 C ATOM 1217 CG MET A 77 -5.968 -10.590 1.226 1.00 0.00 C ATOM 1218 SD MET A 77 -6.905 -10.560 -0.309 1.00 0.00 S ATOM 1219 CE MET A 77 -6.602 -12.203 -0.931 1.00 0.00 C ATOM 0 H MET A 77 -6.370 -7.383 3.395 1.00 0.00 H new ATOM 0 HA MET A 77 -5.687 -10.076 3.924 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.156 -9.081 2.123 1.00 0.00 H new ATOM 0 HB3 MET A 77 -5.707 -8.489 1.335 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.918 -10.786 1.010 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.322 -11.406 1.856 1.00 0.00 H new ATOM 0 HE1 MET A 77 -7.120 -12.334 -1.881 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.531 -12.344 -1.079 1.00 0.00 H new ATOM 0 HE3 MET A 77 -6.969 -12.937 -0.214 1.00 0.00 H new ATOM 1229 N ALA A 78 -3.254 -8.180 2.782 1.00 0.00 N ATOM 1230 CA ALA A 78 -1.808 -8.071 2.646 1.00 0.00 C ATOM 1231 C ALA A 78 -1.148 -8.060 4.014 1.00 0.00 C ATOM 1232 O ALA A 78 -0.045 -8.563 4.179 1.00 0.00 O ATOM 1233 CB ALA A 78 -1.433 -6.808 1.887 1.00 0.00 C ATOM 0 H ALA A 78 -3.756 -7.320 2.561 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.455 -8.936 2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.349 -6.746 1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.879 -6.835 0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.802 -5.936 2.427 1.00 0.00 H new ATOM 1353 N LYS A 86 -0.494 -11.129 -6.939 1.00 0.00 N ATOM 1354 CA LYS A 86 -1.199 -10.000 -7.402 1.00 0.00 C ATOM 1355 C LYS A 86 -2.576 -10.451 -7.852 1.00 0.00 C ATOM 1356 O LYS A 86 -2.705 -11.270 -8.762 1.00 0.00 O ATOM 1357 CB LYS A 86 -0.414 -9.327 -8.561 1.00 0.00 C ATOM 1358 CG LYS A 86 0.946 -8.682 -8.175 1.00 0.00 C ATOM 1359 CD LYS A 86 1.986 -9.708 -7.701 1.00 0.00 C ATOM 1360 CE LYS A 86 3.244 -9.055 -7.152 1.00 0.00 C ATOM 1361 NZ LYS A 86 4.155 -10.053 -6.533 1.00 0.00 N ATOM 0 HA LYS A 86 -1.308 -9.261 -6.608 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.233 -10.074 -9.334 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.046 -8.557 -9.004 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.343 -8.142 -9.035 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.782 -7.948 -7.386 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.543 -10.339 -6.931 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.253 -10.360 -8.533 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.765 -8.536 -7.956 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.971 -8.303 -6.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.002 -9.571 -6.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.666 -10.531 -5.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.436 -10.756 -7.246 1.00 0.00 H new ATOM 1375 N VAL A 87 -3.585 -9.952 -7.196 1.00 0.00 N ATOM 1376 CA VAL A 87 -4.961 -10.291 -7.492 1.00 0.00 C ATOM 1377 C VAL A 87 -5.428 -9.479 -8.695 1.00 0.00 C ATOM 1378 O VAL A 87 -5.134 -8.287 -8.789 1.00 0.00 O ATOM 1379 CB VAL A 87 -5.877 -10.003 -6.258 1.00 0.00 C ATOM 1380 CG1 VAL A 87 -7.323 -10.371 -6.536 1.00 0.00 C ATOM 1381 CG2 VAL A 87 -5.376 -10.750 -5.027 1.00 0.00 C ATOM 0 H VAL A 87 -3.481 -9.288 -6.429 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.026 -11.355 -7.721 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.832 -8.931 -6.065 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.929 -10.157 -5.655 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.691 -9.788 -7.380 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -7.389 -11.433 -6.772 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.028 -10.535 -4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.380 -11.822 -5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.361 -10.428 -4.794 1.00 0.00 H new ATOM 1391 N SER A 88 -6.121 -10.120 -9.613 1.00 0.00 N ATOM 1392 CA SER A 88 -6.595 -9.454 -10.800 1.00 0.00 C ATOM 1393 C SER A 88 -8.016 -8.909 -10.581 1.00 0.00 C ATOM 1394 O SER A 88 -8.553 -8.984 -9.456 1.00 0.00 O ATOM 1395 CB SER A 88 -6.531 -10.414 -11.985 1.00 0.00 C ATOM 1396 OG SER A 88 -5.204 -10.904 -12.149 1.00 0.00 O ATOM 0 H SER A 88 -6.368 -11.108 -9.555 1.00 0.00 H new ATOM 0 HA SER A 88 -5.954 -8.600 -11.020 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.217 -11.246 -11.826 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.853 -9.905 -12.893 1.00 0.00 H new ATOM 0 HG SER A 88 -5.175 -11.520 -12.911 1.00 0.00 H new ATOM 1402 N GLU A 89 -8.620 -8.381 -11.645 1.00 0.00 N ATOM 1403 CA GLU A 89 -9.928 -7.734 -11.581 1.00 0.00 C ATOM 1404 C GLU A 89 -10.981 -8.666 -11.032 1.00 0.00 C ATOM 1405 O GLU A 89 -11.707 -8.297 -10.133 1.00 0.00 O ATOM 1406 CB GLU A 89 -10.361 -7.263 -12.954 1.00 0.00 C ATOM 1407 CG GLU A 89 -9.330 -6.434 -13.661 1.00 0.00 C ATOM 1408 CD GLU A 89 -9.785 -5.964 -15.003 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -10.439 -4.908 -15.093 1.00 0.00 O ATOM 1410 OE2 GLU A 89 -9.505 -6.654 -16.003 1.00 0.00 O ATOM 0 H GLU A 89 -8.213 -8.391 -12.580 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.828 -6.879 -10.912 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.599 -8.132 -13.568 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.277 -6.681 -12.856 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.080 -5.571 -13.045 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.417 -7.019 -13.776 1.00 0.00 H new ATOM 1417 N GLN A 90 -11.028 -9.880 -11.558 1.00 0.00 N ATOM 1418 CA GLN A 90 -12.018 -10.872 -11.145 1.00 0.00 C ATOM 1419 C GLN A 90 -11.955 -11.163 -9.650 1.00 0.00 C ATOM 1420 O GLN A 90 -12.995 -11.237 -8.986 1.00 0.00 O ATOM 1421 CB GLN A 90 -11.888 -12.156 -11.963 1.00 0.00 C ATOM 1422 CG GLN A 90 -12.264 -11.995 -13.436 1.00 0.00 C ATOM 1423 CD GLN A 90 -13.750 -11.733 -13.669 1.00 0.00 C ATOM 1424 OE1 GLN A 90 -14.452 -11.144 -12.835 1.00 0.00 O ATOM 1425 NE2 GLN A 90 -14.235 -12.152 -14.798 1.00 0.00 N ATOM 0 H GLN A 90 -10.386 -10.208 -12.280 1.00 0.00 H new ATOM 0 HA GLN A 90 -13.000 -10.442 -11.344 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -10.860 -12.514 -11.898 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -12.522 -12.924 -11.519 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -11.689 -11.172 -13.860 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -11.975 -12.897 -13.976 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -13.632 -12.634 -15.465 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -15.219 -11.999 -15.018 1.00 0.00 H new ATOM 1434 N GLY A 91 -10.749 -11.275 -9.122 1.00 0.00 N ATOM 1435 CA GLY A 91 -10.579 -11.511 -7.709 1.00 0.00 C ATOM 1436 C GLY A 91 -11.008 -10.314 -6.896 1.00 0.00 C ATOM 1437 O GLY A 91 -11.647 -10.463 -5.849 1.00 0.00 O ATOM 0 H GLY A 91 -9.880 -11.206 -9.652 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.162 -12.383 -7.411 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.534 -11.739 -7.500 1.00 0.00 H new ATOM 1441 N LEU A 92 -10.681 -9.126 -7.396 1.00 0.00 N ATOM 1442 CA LEU A 92 -11.067 -7.878 -6.746 1.00 0.00 C ATOM 1443 C LEU A 92 -12.586 -7.718 -6.764 1.00 0.00 C ATOM 1444 O LEU A 92 -13.173 -7.220 -5.819 1.00 0.00 O ATOM 1445 CB LEU A 92 -10.403 -6.671 -7.429 1.00 0.00 C ATOM 1446 CG LEU A 92 -10.735 -5.293 -6.827 1.00 0.00 C ATOM 1447 CD1 LEU A 92 -10.198 -5.165 -5.408 1.00 0.00 C ATOM 1448 CD2 LEU A 92 -10.205 -4.175 -7.703 1.00 0.00 C ATOM 0 H LEU A 92 -10.146 -9.001 -8.255 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.725 -7.917 -5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.322 -6.809 -7.398 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.694 -6.667 -8.480 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.821 -5.206 -6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.449 -4.181 -5.011 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.645 -5.935 -4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.115 -5.287 -5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.453 -3.213 -7.255 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.122 -4.265 -7.793 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.658 -4.242 -8.692 1.00 0.00 H new ATOM 1460 N ILE A 93 -13.208 -8.158 -7.843 1.00 0.00 N ATOM 1461 CA ILE A 93 -14.657 -8.113 -7.984 1.00 0.00 C ATOM 1462 C ILE A 93 -15.326 -8.972 -6.917 1.00 0.00 C ATOM 1463 O ILE A 93 -16.341 -8.584 -6.354 1.00 0.00 O ATOM 1464 CB ILE A 93 -15.111 -8.512 -9.420 1.00 0.00 C ATOM 1465 CG1 ILE A 93 -14.621 -7.451 -10.418 1.00 0.00 C ATOM 1466 CG2 ILE A 93 -16.634 -8.679 -9.508 1.00 0.00 C ATOM 1467 CD1 ILE A 93 -14.867 -7.791 -11.866 1.00 0.00 C ATOM 0 H ILE A 93 -12.725 -8.557 -8.648 1.00 0.00 H new ATOM 0 HA ILE A 93 -14.978 -7.082 -7.833 1.00 0.00 H new ATOM 0 HB ILE A 93 -14.670 -9.478 -9.668 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -15.112 -6.504 -10.192 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -13.552 -7.299 -10.271 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -16.911 -8.957 -10.525 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -16.955 -9.459 -8.818 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -17.119 -7.739 -9.244 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -14.489 -6.987 -12.498 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -14.353 -8.719 -12.114 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -15.937 -7.913 -12.034 1.00 0.00 H new ATOM 1479 N GLU A 94 -14.718 -10.102 -6.589 1.00 0.00 N ATOM 1480 CA GLU A 94 -15.247 -10.953 -5.532 1.00 0.00 C ATOM 1481 C GLU A 94 -15.149 -10.226 -4.185 1.00 0.00 C ATOM 1482 O GLU A 94 -16.044 -10.315 -3.339 1.00 0.00 O ATOM 1483 CB GLU A 94 -14.510 -12.281 -5.476 1.00 0.00 C ATOM 1484 CG GLU A 94 -14.557 -13.059 -6.775 1.00 0.00 C ATOM 1485 CD GLU A 94 -14.018 -14.444 -6.621 1.00 0.00 C ATOM 1486 OE1 GLU A 94 -14.785 -15.335 -6.203 1.00 0.00 O ATOM 1487 OE2 GLU A 94 -12.828 -14.679 -6.904 1.00 0.00 O ATOM 0 H GLU A 94 -13.868 -10.449 -7.033 1.00 0.00 H new ATOM 0 HA GLU A 94 -16.294 -11.165 -5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -13.469 -12.098 -5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -14.939 -12.891 -4.681 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -15.586 -13.109 -7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -13.983 -12.529 -7.535 1.00 0.00 H new ATOM 1494 N ILE A 95 -14.072 -9.472 -4.023 1.00 0.00 N ATOM 1495 CA ILE A 95 -13.856 -8.652 -2.844 1.00 0.00 C ATOM 1496 C ILE A 95 -14.905 -7.520 -2.802 1.00 0.00 C ATOM 1497 O ILE A 95 -15.453 -7.192 -1.751 1.00 0.00 O ATOM 1498 CB ILE A 95 -12.412 -8.072 -2.833 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -11.397 -9.229 -2.786 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -12.210 -7.120 -1.657 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -9.946 -8.806 -2.873 1.00 0.00 C ATOM 0 H ILE A 95 -13.321 -9.413 -4.710 1.00 0.00 H new ATOM 0 HA ILE A 95 -13.970 -9.271 -1.954 1.00 0.00 H new ATOM 0 HB ILE A 95 -12.255 -7.497 -3.745 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.544 -9.785 -1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.611 -9.914 -3.606 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.192 -6.730 -1.675 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -12.916 -6.293 -1.733 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -12.377 -7.656 -0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -9.307 -9.688 -2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -9.776 -8.278 -3.812 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -9.709 -8.147 -2.038 1.00 0.00 H new ATOM 1513 N LEU A 96 -15.201 -6.978 -3.963 1.00 0.00 N ATOM 1514 CA LEU A 96 -16.215 -5.947 -4.121 1.00 0.00 C ATOM 1515 C LEU A 96 -17.590 -6.492 -3.723 1.00 0.00 C ATOM 1516 O LEU A 96 -18.378 -5.815 -3.050 1.00 0.00 O ATOM 1517 CB LEU A 96 -16.255 -5.474 -5.576 1.00 0.00 C ATOM 1518 CG LEU A 96 -17.255 -4.369 -5.898 1.00 0.00 C ATOM 1519 CD1 LEU A 96 -16.840 -3.053 -5.246 1.00 0.00 C ATOM 1520 CD2 LEU A 96 -17.417 -4.219 -7.401 1.00 0.00 C ATOM 0 H LEU A 96 -14.742 -7.240 -4.836 1.00 0.00 H new ATOM 0 HA LEU A 96 -15.963 -5.107 -3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.259 -5.125 -5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.478 -6.333 -6.209 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.224 -4.648 -5.484 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.569 -2.280 -5.490 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.795 -3.181 -4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.859 -2.757 -5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -18.134 -3.426 -7.612 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -16.455 -3.967 -7.847 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.778 -5.157 -7.823 1.00 0.00 H new ATOM 1532 N LYS A 97 -17.860 -7.724 -4.127 1.00 0.00 N ATOM 1533 CA LYS A 97 -19.121 -8.385 -3.824 1.00 0.00 C ATOM 1534 C LYS A 97 -19.284 -8.583 -2.319 1.00 0.00 C ATOM 1535 O LYS A 97 -20.340 -8.303 -1.764 1.00 0.00 O ATOM 1536 CB LYS A 97 -19.226 -9.739 -4.555 1.00 0.00 C ATOM 1537 CG LYS A 97 -19.182 -9.688 -6.099 1.00 0.00 C ATOM 1538 CD LYS A 97 -20.515 -9.316 -6.782 1.00 0.00 C ATOM 1539 CE LYS A 97 -21.011 -7.905 -6.473 1.00 0.00 C ATOM 1540 NZ LYS A 97 -22.231 -7.571 -7.238 1.00 0.00 N ATOM 0 H LYS A 97 -17.213 -8.293 -4.673 1.00 0.00 H new ATOM 0 HA LYS A 97 -19.926 -7.741 -4.178 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -18.413 -10.378 -4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -20.158 -10.219 -4.255 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -18.423 -8.966 -6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -18.861 -10.662 -6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -20.397 -9.418 -7.861 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -21.278 -10.031 -6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -21.216 -7.818 -5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -20.227 -7.185 -6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -22.536 -6.606 -7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -22.029 -7.630 -8.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -22.987 -8.243 -6.996 1.00 0.00 H new ATOM 1554 N LYS A 98 -18.234 -9.033 -1.663 1.00 0.00 N ATOM 1555 CA LYS A 98 -18.286 -9.278 -0.228 1.00 0.00 C ATOM 1556 C LYS A 98 -18.344 -7.976 0.600 1.00 0.00 C ATOM 1557 O LYS A 98 -18.765 -7.984 1.757 1.00 0.00 O ATOM 1558 CB LYS A 98 -17.146 -10.201 0.231 1.00 0.00 C ATOM 1559 CG LYS A 98 -15.755 -9.641 0.036 1.00 0.00 C ATOM 1560 CD LYS A 98 -14.670 -10.660 0.360 1.00 0.00 C ATOM 1561 CE LYS A 98 -14.761 -11.138 1.792 1.00 0.00 C ATOM 1562 NZ LYS A 98 -13.681 -12.077 2.156 1.00 0.00 N ATOM 0 H LYS A 98 -17.333 -9.238 -2.096 1.00 0.00 H new ATOM 0 HA LYS A 98 -19.224 -9.799 -0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -17.285 -10.428 1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -17.221 -11.144 -0.310 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -15.641 -9.308 -0.996 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.627 -8.764 0.670 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -14.758 -11.512 -0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -13.690 -10.216 0.186 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.727 -10.277 2.460 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -15.725 -11.623 1.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.919 -12.550 3.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -13.573 -12.789 1.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.789 -11.554 2.268 1.00 0.00 H new ATOM 1576 N VAL A 99 -17.917 -6.865 0.032 1.00 0.00 N ATOM 1577 CA VAL A 99 -18.006 -5.609 0.761 1.00 0.00 C ATOM 1578 C VAL A 99 -19.199 -4.785 0.342 1.00 0.00 C ATOM 1579 O VAL A 99 -19.425 -3.706 0.897 1.00 0.00 O ATOM 1580 CB VAL A 99 -16.729 -4.743 0.709 1.00 0.00 C ATOM 1581 CG1 VAL A 99 -15.563 -5.488 1.307 1.00 0.00 C ATOM 1582 CG2 VAL A 99 -16.420 -4.285 -0.704 1.00 0.00 C ATOM 0 H VAL A 99 -17.516 -6.801 -0.904 1.00 0.00 H new ATOM 0 HA VAL A 99 -18.131 -5.920 1.798 1.00 0.00 H new ATOM 0 HB VAL A 99 -16.907 -3.848 1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.671 -4.863 1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -15.782 -5.734 2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -15.391 -6.406 0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -15.515 -3.678 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -16.271 -5.155 -1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -17.252 -3.693 -1.085 1.00 0.00 H new ATOM 1592 N SER A 100 -19.952 -5.273 -0.653 1.00 0.00 N ATOM 1593 CA SER A 100 -21.171 -4.631 -1.087 1.00 0.00 C ATOM 1594 C SER A 100 -22.087 -4.329 0.105 1.00 0.00 C ATOM 1595 O SER A 100 -22.631 -3.237 0.213 1.00 0.00 O ATOM 1596 CB SER A 100 -21.895 -5.481 -2.127 1.00 0.00 C ATOM 1597 OG SER A 100 -21.110 -5.645 -3.308 1.00 0.00 O ATOM 0 H SER A 100 -19.723 -6.122 -1.170 1.00 0.00 H new ATOM 0 HA SER A 100 -20.902 -3.683 -1.554 1.00 0.00 H new ATOM 0 HB2 SER A 100 -22.125 -6.459 -1.703 1.00 0.00 H new ATOM 0 HB3 SER A 100 -22.846 -5.013 -2.383 1.00 0.00 H new ATOM 0 HG SER A 100 -20.159 -5.640 -3.072 1.00 0.00 H new