USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 744 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 49 LYS NZ :NH3+ 150:sc= 1.93 (180deg=0.393) USER MOD Set 1.2: A 72 TYR OH : rot 180:sc= 0.777 USER MOD Set 2.1: A 9 THR OG1 : rot -139:sc= 0.442 USER MOD Set 2.2: A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 168:sc= -0.0243 (180deg=-0.213) USER MOD Single : A 23 GLN : amide:sc= -0.518 X(o=-0.52,f=-0.63) USER MOD Single : A 30 THR OG1 : rot -17:sc= 0.468 USER MOD Single : A 31 THR OG1 : rot -42:sc= 0.284 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN :FLIP amide:sc= -0.287 F(o=-2.2!,f=-0.29) USER MOD Single : A 40 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0221) USER MOD Single : A 43 GLN :FLIP amide:sc= -0.708 F(o=-1.8,f=-0.71) USER MOD Single : A 44 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0807) USER MOD Single : A 45 LYS NZ :NH3+ -139:sc= 1.21 (180deg=0.149) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.361 F(o=-0.94,f=-0.36) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0493) USER MOD Single : A 61 GLN : amide:sc= -0.218 K(o=-0.22,f=-3.8!) USER MOD Single : A 62 LYS NZ :NH3+ -106:sc= 0.316 (180deg=-1.71!) USER MOD Single : A 64 LYS NZ :NH3+ -126:sc= 0.949 (180deg=-0.026) USER MOD Single : A 65 GLN : amide:sc= 0.413 X(o=0.41,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.371 X(o=-0.37,f=-0.044) USER MOD Single : A 70 GLN : amide:sc= -0.0766 X(o=-0.077,f=-0.097) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.215 X(o=-0.22,f=-0.13) USER MOD Single : A 85 LYS NZ :NH3+ 165:sc= -0.0511 (180deg=-0.339) USER MOD ----------------------------------------------------------------- ATOM 27 N ARG A 3 1.725 9.405 -7.574 1.00 63.14 N ATOM 28 CA ARG A 3 0.670 8.448 -7.181 1.00 10.32 C ATOM 29 C ARG A 3 0.780 8.061 -5.693 1.00 75.23 C ATOM 30 O ARG A 3 1.873 8.073 -5.115 1.00 4.31 O ATOM 31 CB ARG A 3 0.752 7.161 -8.041 1.00 54.11 C ATOM 32 CG ARG A 3 0.485 7.364 -9.551 1.00 62.31 C ATOM 33 CD ARG A 3 0.635 6.054 -10.343 1.00 41.54 C ATOM 34 NE ARG A 3 0.258 6.174 -11.769 1.00 41.11 N ATOM 35 CZ ARG A 3 -0.601 5.357 -12.420 1.00 73.20 C ATOM 36 NH1 ARG A 3 -1.209 4.356 -11.781 1.00 22.32 N ATOM 37 NH2 ARG A 3 -0.825 5.540 -13.712 1.00 13.42 N ATOM 0 HA ARG A 3 -0.287 8.943 -7.346 1.00 10.32 H new ATOM 0 HB2 ARG A 3 1.743 6.723 -7.918 1.00 54.11 H new ATOM 0 HB3 ARG A 3 0.034 6.438 -7.655 1.00 54.11 H new ATOM 0 HG2 ARG A 3 -0.521 7.760 -9.691 1.00 62.31 H new ATOM 0 HG3 ARG A 3 1.178 8.107 -9.945 1.00 62.31 H new ATOM 0 HD2 ARG A 3 1.669 5.716 -10.277 1.00 41.54 H new ATOM 0 HD3 ARG A 3 0.018 5.285 -9.877 1.00 41.54 H new ATOM 0 HE ARG A 3 0.680 6.934 -12.304 1.00 41.11 H new ATOM 0 HH11 ARG A 3 -1.028 4.199 -10.789 1.00 22.32 H new ATOM 0 HH12 ARG A 3 -1.855 3.747 -12.284 1.00 22.32 H new ATOM 0 HH21 ARG A 3 -0.351 6.293 -14.210 1.00 13.42 H new ATOM 0 HH22 ARG A 3 -1.472 4.928 -14.209 1.00 13.42 H new ATOM 51 N LEU A 4 -0.372 7.744 -5.081 1.00 32.10 N ATOM 52 CA LEU A 4 -0.434 7.091 -3.763 1.00 41.10 C ATOM 53 C LEU A 4 -1.043 5.692 -3.934 1.00 42.45 C ATOM 54 O LEU A 4 -2.215 5.565 -4.309 1.00 54.32 O ATOM 55 CB LEU A 4 -1.271 7.932 -2.771 1.00 51.14 C ATOM 56 CG LEU A 4 -1.307 7.421 -1.290 1.00 63.13 C ATOM 57 CD1 LEU A 4 0.098 7.422 -0.652 1.00 23.43 C ATOM 58 CD2 LEU A 4 -2.286 8.257 -0.453 1.00 60.24 C ATOM 0 H LEU A 4 -1.288 7.933 -5.487 1.00 32.10 H new ATOM 0 HA LEU A 4 0.572 7.005 -3.353 1.00 41.10 H new ATOM 0 HB2 LEU A 4 -0.883 8.951 -2.773 1.00 51.14 H new ATOM 0 HB3 LEU A 4 -2.295 7.981 -3.142 1.00 51.14 H new ATOM 0 HG LEU A 4 -1.658 6.389 -1.306 1.00 63.13 H new ATOM 0 HD11 LEU A 4 0.032 7.061 0.374 1.00 23.43 H new ATOM 0 HD12 LEU A 4 0.758 6.770 -1.224 1.00 23.43 H new ATOM 0 HD13 LEU A 4 0.498 8.436 -0.655 1.00 23.43 H new ATOM 0 HD21 LEU A 4 -2.297 7.887 0.572 1.00 60.24 H new ATOM 0 HD22 LEU A 4 -1.970 9.300 -0.459 1.00 60.24 H new ATOM 0 HD23 LEU A 4 -3.287 8.178 -0.878 1.00 60.24 H new ATOM 70 N VAL A 5 -0.233 4.654 -3.686 1.00 2.42 N ATOM 71 CA VAL A 5 -0.677 3.254 -3.759 1.00 24.45 C ATOM 72 C VAL A 5 -0.926 2.724 -2.342 1.00 73.14 C ATOM 73 O VAL A 5 -0.006 2.670 -1.526 1.00 31.11 O ATOM 74 CB VAL A 5 0.373 2.343 -4.493 1.00 63.15 C ATOM 75 CG1 VAL A 5 -0.050 0.855 -4.473 1.00 41.22 C ATOM 76 CG2 VAL A 5 0.599 2.822 -5.940 1.00 13.40 C ATOM 0 H VAL A 5 0.748 4.760 -3.429 1.00 2.42 H new ATOM 0 HA VAL A 5 -1.600 3.223 -4.338 1.00 24.45 H new ATOM 0 HB VAL A 5 1.314 2.428 -3.949 1.00 63.15 H new ATOM 0 HG11 VAL A 5 0.700 0.256 -4.990 1.00 41.22 H new ATOM 0 HG12 VAL A 5 -0.137 0.515 -3.441 1.00 41.22 H new ATOM 0 HG13 VAL A 5 -1.011 0.743 -4.974 1.00 41.22 H new ATOM 0 HG21 VAL A 5 1.329 2.176 -6.427 1.00 13.40 H new ATOM 0 HG22 VAL A 5 -0.343 2.783 -6.488 1.00 13.40 H new ATOM 0 HG23 VAL A 5 0.970 3.847 -5.930 1.00 13.40 H new ATOM 86 N VAL A 6 -2.178 2.341 -2.066 1.00 32.32 N ATOM 87 CA VAL A 6 -2.573 1.724 -0.803 1.00 33.42 C ATOM 88 C VAL A 6 -2.484 0.203 -0.961 1.00 34.32 C ATOM 89 O VAL A 6 -3.226 -0.380 -1.736 1.00 33.31 O ATOM 90 CB VAL A 6 -4.031 2.135 -0.407 1.00 33.44 C ATOM 91 CG1 VAL A 6 -4.445 1.505 0.945 1.00 42.51 C ATOM 92 CG2 VAL A 6 -4.186 3.677 -0.400 1.00 71.33 C ATOM 0 H VAL A 6 -2.950 2.454 -2.723 1.00 32.32 H new ATOM 0 HA VAL A 6 -1.906 2.065 -0.011 1.00 33.42 H new ATOM 0 HB VAL A 6 -4.712 1.742 -1.162 1.00 33.44 H new ATOM 0 HG11 VAL A 6 -5.462 1.809 1.192 1.00 42.51 H new ATOM 0 HG12 VAL A 6 -4.400 0.419 0.869 1.00 42.51 H new ATOM 0 HG13 VAL A 6 -3.765 1.843 1.727 1.00 42.51 H new ATOM 0 HG21 VAL A 6 -5.207 3.939 -0.122 1.00 71.33 H new ATOM 0 HG22 VAL A 6 -3.492 4.109 0.321 1.00 71.33 H new ATOM 0 HG23 VAL A 6 -3.969 4.069 -1.394 1.00 71.33 H new ATOM 102 N VAL A 7 -1.550 -0.427 -0.260 1.00 41.20 N ATOM 103 CA VAL A 7 -1.354 -1.879 -0.331 1.00 33.21 C ATOM 104 C VAL A 7 -2.001 -2.528 0.896 1.00 35.33 C ATOM 105 O VAL A 7 -1.718 -2.139 2.022 1.00 74.10 O ATOM 106 CB VAL A 7 0.164 -2.240 -0.402 1.00 34.45 C ATOM 107 CG1 VAL A 7 0.387 -3.761 -0.538 1.00 53.20 C ATOM 108 CG2 VAL A 7 0.869 -1.468 -1.540 1.00 4.14 C ATOM 0 H VAL A 7 -0.906 0.047 0.373 1.00 41.20 H new ATOM 0 HA VAL A 7 -1.824 -2.257 -1.239 1.00 33.21 H new ATOM 0 HB VAL A 7 0.614 -1.931 0.542 1.00 34.45 H new ATOM 0 HG11 VAL A 7 1.456 -3.969 -0.584 1.00 53.20 H new ATOM 0 HG12 VAL A 7 -0.045 -4.271 0.323 1.00 53.20 H new ATOM 0 HG13 VAL A 7 -0.092 -4.119 -1.449 1.00 53.20 H new ATOM 0 HG21 VAL A 7 1.924 -1.740 -1.565 1.00 4.14 H new ATOM 0 HG22 VAL A 7 0.406 -1.723 -2.493 1.00 4.14 H new ATOM 0 HG23 VAL A 7 0.774 -0.396 -1.366 1.00 4.14 H new ATOM 118 N VAL A 8 -2.872 -3.506 0.659 1.00 74.51 N ATOM 119 CA VAL A 8 -3.618 -4.215 1.712 1.00 23.53 C ATOM 120 C VAL A 8 -3.355 -5.709 1.571 1.00 3.40 C ATOM 121 O VAL A 8 -3.032 -6.186 0.477 1.00 23.03 O ATOM 122 CB VAL A 8 -5.165 -3.941 1.617 1.00 61.21 C ATOM 123 CG1 VAL A 8 -5.486 -2.442 1.831 1.00 31.13 C ATOM 124 CG2 VAL A 8 -5.739 -4.451 0.275 1.00 63.13 C ATOM 0 H VAL A 8 -3.087 -3.838 -0.281 1.00 74.51 H new ATOM 0 HA VAL A 8 -3.279 -3.852 2.682 1.00 23.53 H new ATOM 0 HB VAL A 8 -5.649 -4.498 2.419 1.00 61.21 H new ATOM 0 HG11 VAL A 8 -6.562 -2.287 1.759 1.00 31.13 H new ATOM 0 HG12 VAL A 8 -5.140 -2.133 2.817 1.00 31.13 H new ATOM 0 HG13 VAL A 8 -4.982 -1.849 1.067 1.00 31.13 H new ATOM 0 HG21 VAL A 8 -6.809 -4.249 0.237 1.00 63.13 H new ATOM 0 HG22 VAL A 8 -5.243 -3.940 -0.550 1.00 63.13 H new ATOM 0 HG23 VAL A 8 -5.570 -5.524 0.191 1.00 63.13 H new ATOM 134 N THR A 9 -3.494 -6.448 2.670 1.00 12.01 N ATOM 135 CA THR A 9 -3.325 -7.910 2.661 1.00 71.14 C ATOM 136 C THR A 9 -4.675 -8.647 2.614 1.00 12.43 C ATOM 137 O THR A 9 -4.704 -9.880 2.531 1.00 14.23 O ATOM 138 CB THR A 9 -2.511 -8.379 3.904 1.00 70.31 C ATOM 139 OG1 THR A 9 -3.101 -7.841 5.101 1.00 13.33 O ATOM 140 CG2 THR A 9 -1.038 -7.947 3.809 1.00 60.00 C ATOM 0 H THR A 9 -3.724 -6.061 3.585 1.00 12.01 H new ATOM 0 HA THR A 9 -2.774 -8.160 1.754 1.00 71.14 H new ATOM 0 HB THR A 9 -2.540 -9.468 3.936 1.00 70.31 H new ATOM 0 HG1 THR A 9 -2.393 -7.553 5.714 1.00 13.33 H new ATOM 0 HG21 THR A 9 -0.500 -8.291 4.693 1.00 60.00 H new ATOM 0 HG22 THR A 9 -0.588 -8.383 2.917 1.00 60.00 H new ATOM 0 HG23 THR A 9 -0.981 -6.860 3.750 1.00 60.00 H new ATOM 148 N SER A 10 -5.789 -7.897 2.624 1.00 43.12 N ATOM 149 CA SER A 10 -7.136 -8.477 2.750 1.00 13.14 C ATOM 150 C SER A 10 -8.123 -7.769 1.809 1.00 31.24 C ATOM 151 O SER A 10 -8.084 -6.539 1.690 1.00 11.31 O ATOM 152 CB SER A 10 -7.611 -8.368 4.213 1.00 74.10 C ATOM 153 OG SER A 10 -6.709 -9.014 5.096 1.00 32.35 O ATOM 0 H SER A 10 -5.782 -6.880 2.546 1.00 43.12 H new ATOM 0 HA SER A 10 -7.096 -9.528 2.465 1.00 13.14 H new ATOM 0 HB2 SER A 10 -7.705 -7.318 4.490 1.00 74.10 H new ATOM 0 HB3 SER A 10 -8.601 -8.814 4.311 1.00 74.10 H new ATOM 0 HG SER A 10 -7.034 -8.928 6.016 1.00 32.35 H new ATOM 159 N GLU A 11 -8.996 -8.571 1.152 1.00 34.24 N ATOM 160 CA GLU A 11 -10.050 -8.084 0.229 1.00 41.00 C ATOM 161 C GLU A 11 -11.010 -7.129 0.948 1.00 14.02 C ATOM 162 O GLU A 11 -11.450 -6.137 0.365 1.00 33.24 O ATOM 163 CB GLU A 11 -10.852 -9.278 -0.371 1.00 33.13 C ATOM 164 CG GLU A 11 -9.996 -10.276 -1.179 1.00 55.21 C ATOM 165 CD GLU A 11 -10.818 -11.397 -1.838 1.00 21.21 C ATOM 166 OE1 GLU A 11 -11.477 -11.132 -2.869 1.00 74.21 O ATOM 167 OE2 GLU A 11 -10.830 -12.543 -1.330 1.00 31.44 O ATOM 0 H GLU A 11 -8.988 -9.586 1.249 1.00 34.24 H new ATOM 0 HA GLU A 11 -9.557 -7.544 -0.580 1.00 41.00 H new ATOM 0 HB2 GLU A 11 -11.345 -9.814 0.440 1.00 33.13 H new ATOM 0 HB3 GLU A 11 -11.637 -8.885 -1.017 1.00 33.13 H new ATOM 0 HG2 GLU A 11 -9.452 -9.733 -1.952 1.00 55.21 H new ATOM 0 HG3 GLU A 11 -9.252 -10.722 -0.519 1.00 55.21 H new ATOM 174 N GLN A 12 -11.295 -7.445 2.234 1.00 12.43 N ATOM 175 CA GLN A 12 -12.155 -6.622 3.095 1.00 14.00 C ATOM 176 C GLN A 12 -11.580 -5.187 3.251 1.00 64.41 C ATOM 177 O GLN A 12 -12.330 -4.209 3.198 1.00 12.03 O ATOM 178 CB GLN A 12 -12.336 -7.298 4.482 1.00 3.22 C ATOM 179 CG GLN A 12 -11.020 -7.555 5.251 1.00 51.52 C ATOM 180 CD GLN A 12 -11.205 -8.111 6.663 1.00 30.21 C ATOM 181 OE1 GLN A 12 -12.171 -8.821 6.957 1.00 34.43 O ATOM 182 NE2 GLN A 12 -10.271 -7.803 7.546 1.00 72.30 N ATOM 0 H GLN A 12 -10.932 -8.279 2.696 1.00 12.43 H new ATOM 0 HA GLN A 12 -13.133 -6.538 2.621 1.00 14.00 H new ATOM 0 HB2 GLN A 12 -12.983 -6.671 5.095 1.00 3.22 H new ATOM 0 HB3 GLN A 12 -12.852 -8.248 4.344 1.00 3.22 H new ATOM 0 HG2 GLN A 12 -10.410 -8.253 4.677 1.00 51.52 H new ATOM 0 HG3 GLN A 12 -10.463 -6.620 5.313 1.00 51.52 H new ATOM 0 HE21 GLN A 12 -9.485 -7.214 7.272 1.00 72.30 H new ATOM 0 HE22 GLN A 12 -10.337 -8.154 8.501 1.00 72.30 H new ATOM 191 N LEU A 13 -10.239 -5.088 3.410 1.00 54.05 N ATOM 192 CA LEU A 13 -9.532 -3.803 3.541 1.00 24.04 C ATOM 193 C LEU A 13 -9.498 -3.063 2.193 1.00 73.45 C ATOM 194 O LEU A 13 -9.600 -1.839 2.154 1.00 60.01 O ATOM 195 CB LEU A 13 -8.083 -4.022 4.060 1.00 44.31 C ATOM 196 CG LEU A 13 -7.933 -4.669 5.472 1.00 52.33 C ATOM 197 CD1 LEU A 13 -6.440 -4.851 5.845 1.00 52.11 C ATOM 198 CD2 LEU A 13 -8.687 -3.843 6.537 1.00 13.31 C ATOM 0 H LEU A 13 -9.622 -5.899 3.450 1.00 54.05 H new ATOM 0 HA LEU A 13 -10.075 -3.194 4.264 1.00 24.04 H new ATOM 0 HB2 LEU A 13 -7.556 -4.649 3.341 1.00 44.31 H new ATOM 0 HB3 LEU A 13 -7.577 -3.057 4.073 1.00 44.31 H new ATOM 0 HG LEU A 13 -8.385 -5.661 5.442 1.00 52.33 H new ATOM 0 HD11 LEU A 13 -6.365 -5.304 6.834 1.00 52.11 H new ATOM 0 HD12 LEU A 13 -5.958 -5.498 5.112 1.00 52.11 H new ATOM 0 HD13 LEU A 13 -5.946 -3.880 5.852 1.00 52.11 H new ATOM 0 HD21 LEU A 13 -8.568 -4.313 7.513 1.00 13.31 H new ATOM 0 HD22 LEU A 13 -8.280 -2.832 6.569 1.00 13.31 H new ATOM 0 HD23 LEU A 13 -9.746 -3.800 6.281 1.00 13.31 H new ATOM 210 N LYS A 14 -9.372 -3.837 1.094 1.00 31.40 N ATOM 211 CA LYS A 14 -9.273 -3.285 -0.266 1.00 72.23 C ATOM 212 C LYS A 14 -10.556 -2.534 -0.651 1.00 33.22 C ATOM 213 O LYS A 14 -10.515 -1.336 -0.935 1.00 74.11 O ATOM 214 CB LYS A 14 -8.987 -4.411 -1.293 1.00 31.11 C ATOM 215 CG LYS A 14 -8.806 -3.895 -2.735 1.00 24.43 C ATOM 216 CD LYS A 14 -8.443 -5.009 -3.740 1.00 31.54 C ATOM 217 CE LYS A 14 -8.187 -4.453 -5.148 1.00 40.24 C ATOM 218 NZ LYS A 14 -7.963 -5.515 -6.160 1.00 13.13 N ATOM 0 H LYS A 14 -9.337 -4.856 1.128 1.00 31.40 H new ATOM 0 HA LYS A 14 -8.444 -2.578 -0.279 1.00 72.23 H new ATOM 0 HB2 LYS A 14 -8.087 -4.947 -0.992 1.00 31.11 H new ATOM 0 HB3 LYS A 14 -9.808 -5.128 -1.272 1.00 31.11 H new ATOM 0 HG2 LYS A 14 -9.727 -3.409 -3.058 1.00 24.43 H new ATOM 0 HG3 LYS A 14 -8.024 -3.136 -2.747 1.00 24.43 H new ATOM 0 HD2 LYS A 14 -7.555 -5.536 -3.392 1.00 31.54 H new ATOM 0 HD3 LYS A 14 -9.252 -5.739 -3.780 1.00 31.54 H new ATOM 0 HE2 LYS A 14 -9.038 -3.843 -5.452 1.00 40.24 H new ATOM 0 HE3 LYS A 14 -7.318 -3.796 -5.121 1.00 40.24 H new ATOM 0 HZ1 LYS A 14 -7.796 -5.079 -7.089 1.00 13.13 H new ATOM 0 HZ2 LYS A 14 -7.135 -6.083 -5.890 1.00 13.13 H new ATOM 0 HZ3 LYS A 14 -8.801 -6.128 -6.211 1.00 13.13 H new ATOM 232 N GLU A 15 -11.686 -3.267 -0.597 1.00 31.04 N ATOM 233 CA GLU A 15 -13.010 -2.764 -0.998 1.00 12.11 C ATOM 234 C GLU A 15 -13.461 -1.600 -0.091 1.00 15.53 C ATOM 235 O GLU A 15 -14.243 -0.750 -0.519 1.00 14.34 O ATOM 236 CB GLU A 15 -14.036 -3.927 -0.965 1.00 63.11 C ATOM 237 CG GLU A 15 -14.280 -4.525 0.435 1.00 71.34 C ATOM 238 CD GLU A 15 -15.219 -5.734 0.429 1.00 50.44 C ATOM 239 OE1 GLU A 15 -16.456 -5.542 0.463 1.00 51.14 O ATOM 240 OE2 GLU A 15 -14.726 -6.884 0.382 1.00 45.22 O ATOM 0 H GLU A 15 -11.703 -4.233 -0.270 1.00 31.04 H new ATOM 0 HA GLU A 15 -12.947 -2.375 -2.014 1.00 12.11 H new ATOM 0 HB2 GLU A 15 -14.985 -3.569 -1.364 1.00 63.11 H new ATOM 0 HB3 GLU A 15 -13.690 -4.719 -1.629 1.00 63.11 H new ATOM 0 HG2 GLU A 15 -13.324 -4.820 0.867 1.00 71.34 H new ATOM 0 HG3 GLU A 15 -14.698 -3.754 1.083 1.00 71.34 H new ATOM 247 N GLU A 16 -12.939 -1.591 1.155 1.00 53.15 N ATOM 248 CA GLU A 16 -13.141 -0.501 2.116 1.00 10.00 C ATOM 249 C GLU A 16 -12.495 0.794 1.585 1.00 73.13 C ATOM 250 O GLU A 16 -13.197 1.765 1.314 1.00 10.02 O ATOM 251 CB GLU A 16 -12.528 -0.898 3.485 1.00 51.44 C ATOM 252 CG GLU A 16 -12.711 0.138 4.626 1.00 71.41 C ATOM 253 CD GLU A 16 -14.163 0.252 5.133 1.00 45.24 C ATOM 254 OE1 GLU A 16 -14.612 -0.653 5.875 1.00 3.15 O ATOM 255 OE2 GLU A 16 -14.863 1.239 4.803 1.00 50.13 O ATOM 0 H GLU A 16 -12.362 -2.349 1.518 1.00 53.15 H new ATOM 0 HA GLU A 16 -14.208 -0.323 2.247 1.00 10.00 H new ATOM 0 HB2 GLU A 16 -12.971 -1.842 3.801 1.00 51.44 H new ATOM 0 HB3 GLU A 16 -11.461 -1.076 3.348 1.00 51.44 H new ATOM 0 HG2 GLU A 16 -12.065 -0.135 5.460 1.00 71.41 H new ATOM 0 HG3 GLU A 16 -12.381 1.115 4.274 1.00 71.41 H new ATOM 262 N VAL A 17 -11.156 0.757 1.407 1.00 31.42 N ATOM 263 CA VAL A 17 -10.362 1.922 0.961 1.00 22.33 C ATOM 264 C VAL A 17 -10.825 2.448 -0.418 1.00 53.31 C ATOM 265 O VAL A 17 -10.859 3.658 -0.632 1.00 44.50 O ATOM 266 CB VAL A 17 -8.826 1.579 0.928 1.00 53.24 C ATOM 267 CG1 VAL A 17 -7.985 2.773 0.409 1.00 33.25 C ATOM 268 CG2 VAL A 17 -8.327 1.123 2.324 1.00 13.30 C ATOM 0 H VAL A 17 -10.596 -0.080 1.568 1.00 31.42 H new ATOM 0 HA VAL A 17 -10.528 2.716 1.689 1.00 22.33 H new ATOM 0 HB VAL A 17 -8.693 0.752 0.230 1.00 53.24 H new ATOM 0 HG11 VAL A 17 -6.930 2.499 0.400 1.00 33.25 H new ATOM 0 HG12 VAL A 17 -8.302 3.029 -0.602 1.00 33.25 H new ATOM 0 HG13 VAL A 17 -8.131 3.633 1.063 1.00 33.25 H new ATOM 0 HG21 VAL A 17 -7.263 0.892 2.273 1.00 13.30 H new ATOM 0 HG22 VAL A 17 -8.491 1.922 3.048 1.00 13.30 H new ATOM 0 HG23 VAL A 17 -8.876 0.234 2.634 1.00 13.30 H new ATOM 278 N ARG A 18 -11.189 1.526 -1.330 1.00 22.40 N ATOM 279 CA ARG A 18 -11.638 1.889 -2.687 1.00 1.33 C ATOM 280 C ARG A 18 -13.006 2.601 -2.674 1.00 74.12 C ATOM 281 O ARG A 18 -13.263 3.459 -3.528 1.00 2.24 O ATOM 282 CB ARG A 18 -11.675 0.649 -3.619 1.00 24.41 C ATOM 283 CG ARG A 18 -10.296 -0.019 -3.841 1.00 70.24 C ATOM 284 CD ARG A 18 -10.307 -1.070 -4.961 1.00 20.13 C ATOM 285 NE ARG A 18 -10.473 -0.453 -6.293 1.00 22.40 N ATOM 286 CZ ARG A 18 -10.739 -1.113 -7.434 1.00 42.03 C ATOM 287 NH1 ARG A 18 -10.882 -2.443 -7.450 1.00 15.32 N ATOM 288 NH2 ARG A 18 -10.863 -0.423 -8.559 1.00 50.30 N ATOM 0 H ARG A 18 -11.181 0.522 -1.150 1.00 22.40 H new ATOM 0 HA ARG A 18 -10.906 2.593 -3.083 1.00 1.33 H new ATOM 0 HB2 ARG A 18 -12.360 -0.088 -3.198 1.00 24.41 H new ATOM 0 HB3 ARG A 18 -12.082 0.947 -4.585 1.00 24.41 H new ATOM 0 HG2 ARG A 18 -9.561 0.750 -4.080 1.00 70.24 H new ATOM 0 HG3 ARG A 18 -9.974 -0.490 -2.912 1.00 70.24 H new ATOM 0 HD2 ARG A 18 -9.376 -1.636 -4.937 1.00 20.13 H new ATOM 0 HD3 ARG A 18 -11.116 -1.779 -4.786 1.00 20.13 H new ATOM 0 HE ARG A 18 -10.378 0.561 -6.352 1.00 22.40 H new ATOM 0 HH11 ARG A 18 -10.789 -2.976 -6.585 1.00 15.32 H new ATOM 0 HH12 ARG A 18 -11.084 -2.924 -8.327 1.00 15.32 H new ATOM 0 HH21 ARG A 18 -10.757 0.591 -8.549 1.00 50.30 H new ATOM 0 HH22 ARG A 18 -11.065 -0.906 -9.434 1.00 50.30 H new ATOM 302 N LYS A 19 -13.863 2.237 -1.701 1.00 3.30 N ATOM 303 CA LYS A 19 -15.200 2.837 -1.538 1.00 62.30 C ATOM 304 C LYS A 19 -15.080 4.238 -0.909 1.00 63.32 C ATOM 305 O LYS A 19 -15.728 5.195 -1.356 1.00 25.14 O ATOM 306 CB LYS A 19 -16.082 1.929 -0.647 1.00 12.13 C ATOM 307 CG LYS A 19 -17.582 2.325 -0.577 1.00 4.43 C ATOM 308 CD LYS A 19 -18.342 2.121 -1.915 1.00 61.12 C ATOM 309 CE LYS A 19 -18.383 0.645 -2.351 1.00 64.55 C ATOM 310 NZ LYS A 19 -19.165 0.441 -3.597 1.00 20.23 N ATOM 0 H LYS A 19 -13.648 1.520 -1.008 1.00 3.30 H new ATOM 0 HA LYS A 19 -15.666 2.931 -2.519 1.00 62.30 H new ATOM 0 HB2 LYS A 19 -16.010 0.906 -1.016 1.00 12.13 H new ATOM 0 HB3 LYS A 19 -15.674 1.933 0.364 1.00 12.13 H new ATOM 0 HG2 LYS A 19 -18.069 1.736 0.201 1.00 4.43 H new ATOM 0 HG3 LYS A 19 -17.659 3.371 -0.281 1.00 4.43 H new ATOM 0 HD2 LYS A 19 -19.361 2.494 -1.811 1.00 61.12 H new ATOM 0 HD3 LYS A 19 -17.864 2.714 -2.695 1.00 61.12 H new ATOM 0 HE2 LYS A 19 -17.365 0.286 -2.502 1.00 64.55 H new ATOM 0 HE3 LYS A 19 -18.817 0.045 -1.551 1.00 64.55 H new ATOM 0 HZ1 LYS A 19 -19.162 -0.568 -3.848 1.00 20.23 H new ATOM 0 HZ2 LYS A 19 -20.144 0.758 -3.448 1.00 20.23 H new ATOM 0 HZ3 LYS A 19 -18.737 0.991 -4.369 1.00 20.23 H new ATOM 324 N LYS A 20 -14.232 4.333 0.132 1.00 34.32 N ATOM 325 CA LYS A 20 -13.997 5.583 0.876 1.00 65.14 C ATOM 326 C LYS A 20 -13.253 6.600 0.002 1.00 73.32 C ATOM 327 O LYS A 20 -13.542 7.806 0.042 1.00 11.54 O ATOM 328 CB LYS A 20 -13.171 5.295 2.157 1.00 64.12 C ATOM 329 CG LYS A 20 -13.828 4.311 3.143 1.00 54.32 C ATOM 330 CD LYS A 20 -12.965 4.051 4.400 1.00 35.11 C ATOM 331 CE LYS A 20 -12.823 5.297 5.290 1.00 30.13 C ATOM 332 NZ LYS A 20 -14.145 5.813 5.746 1.00 64.12 N ATOM 0 H LYS A 20 -13.690 3.543 0.481 1.00 34.32 H new ATOM 0 HA LYS A 20 -14.964 6.001 1.157 1.00 65.14 H new ATOM 0 HB2 LYS A 20 -12.199 4.899 1.864 1.00 64.12 H new ATOM 0 HB3 LYS A 20 -12.988 6.237 2.674 1.00 64.12 H new ATOM 0 HG2 LYS A 20 -14.797 4.704 3.449 1.00 54.32 H new ATOM 0 HG3 LYS A 20 -14.014 3.365 2.634 1.00 54.32 H new ATOM 0 HD2 LYS A 20 -13.410 3.243 4.981 1.00 35.11 H new ATOM 0 HD3 LYS A 20 -11.975 3.714 4.093 1.00 35.11 H new ATOM 0 HE2 LYS A 20 -12.210 5.054 6.158 1.00 30.13 H new ATOM 0 HE3 LYS A 20 -12.300 6.078 4.739 1.00 30.13 H new ATOM 0 HZ1 LYS A 20 -14.002 6.518 6.497 1.00 64.12 H new ATOM 0 HZ2 LYS A 20 -14.640 6.256 4.945 1.00 64.12 H new ATOM 0 HZ3 LYS A 20 -14.717 5.026 6.114 1.00 64.12 H new ATOM 346 N PHE A 21 -12.285 6.092 -0.782 1.00 51.32 N ATOM 347 CA PHE A 21 -11.392 6.915 -1.612 1.00 33.23 C ATOM 348 C PHE A 21 -11.263 6.291 -3.010 1.00 62.13 C ATOM 349 O PHE A 21 -10.398 5.432 -3.226 1.00 54.11 O ATOM 350 CB PHE A 21 -9.982 7.035 -0.964 1.00 54.24 C ATOM 351 CG PHE A 21 -9.993 7.407 0.515 1.00 4.12 C ATOM 352 CD1 PHE A 21 -10.193 8.724 0.920 1.00 33.12 C ATOM 353 CD2 PHE A 21 -9.819 6.433 1.502 1.00 53.41 C ATOM 354 CE1 PHE A 21 -10.214 9.050 2.256 1.00 14.14 C ATOM 355 CE2 PHE A 21 -9.850 6.773 2.836 1.00 45.45 C ATOM 356 CZ PHE A 21 -10.043 8.080 3.207 1.00 34.13 C ATOM 0 H PHE A 21 -12.101 5.092 -0.857 1.00 51.32 H new ATOM 0 HA PHE A 21 -11.822 7.913 -1.691 1.00 33.23 H new ATOM 0 HB2 PHE A 21 -9.460 6.085 -1.083 1.00 54.24 H new ATOM 0 HB3 PHE A 21 -9.408 7.784 -1.509 1.00 54.24 H new ATOM 0 HD1 PHE A 21 -10.333 9.497 0.178 1.00 33.12 H new ATOM 0 HD2 PHE A 21 -9.659 5.404 1.216 1.00 53.41 H new ATOM 0 HE1 PHE A 21 -10.366 10.076 2.556 1.00 14.14 H new ATOM 0 HE2 PHE A 21 -9.722 6.011 3.590 1.00 45.45 H new ATOM 0 HZ PHE A 21 -10.060 8.345 4.254 1.00 34.13 H new ATOM 366 N PRO A 22 -12.138 6.678 -3.983 1.00 44.24 N ATOM 367 CA PRO A 22 -11.953 6.312 -5.416 1.00 64.52 C ATOM 368 C PRO A 22 -10.790 7.103 -6.072 1.00 21.22 C ATOM 369 O PRO A 22 -10.425 6.856 -7.227 1.00 54.11 O ATOM 370 CB PRO A 22 -13.330 6.661 -6.061 1.00 63.42 C ATOM 371 CG PRO A 22 -14.265 6.937 -4.906 1.00 74.10 C ATOM 372 CD PRO A 22 -13.390 7.460 -3.787 1.00 12.45 C ATOM 0 HA PRO A 22 -11.678 5.266 -5.550 1.00 64.52 H new ATOM 0 HB2 PRO A 22 -13.247 7.530 -6.714 1.00 63.42 H new ATOM 0 HB3 PRO A 22 -13.696 5.836 -6.673 1.00 63.42 H new ATOM 0 HG2 PRO A 22 -15.025 7.668 -5.183 1.00 74.10 H new ATOM 0 HG3 PRO A 22 -14.790 6.031 -4.602 1.00 74.10 H new ATOM 0 HD2 PRO A 22 -13.218 8.533 -3.871 1.00 12.45 H new ATOM 0 HD3 PRO A 22 -13.832 7.283 -2.807 1.00 12.45 H new ATOM 380 N GLN A 23 -10.234 8.070 -5.317 1.00 31.13 N ATOM 381 CA GLN A 23 -9.143 8.952 -5.766 1.00 23.32 C ATOM 382 C GLN A 23 -7.737 8.325 -5.584 1.00 50.05 C ATOM 383 O GLN A 23 -6.746 8.900 -6.044 1.00 71.12 O ATOM 384 CB GLN A 23 -9.260 10.315 -5.031 1.00 44.50 C ATOM 385 CG GLN A 23 -9.372 10.223 -3.486 1.00 53.15 C ATOM 386 CD GLN A 23 -9.652 11.570 -2.802 1.00 63.33 C ATOM 387 OE1 GLN A 23 -10.248 12.470 -3.383 1.00 14.13 O ATOM 388 NE2 GLN A 23 -9.254 11.705 -1.550 1.00 3.03 N ATOM 0 H GLN A 23 -10.537 8.262 -4.362 1.00 31.13 H new ATOM 0 HA GLN A 23 -9.252 9.103 -6.840 1.00 23.32 H new ATOM 0 HB2 GLN A 23 -8.389 10.921 -5.281 1.00 44.50 H new ATOM 0 HB3 GLN A 23 -10.135 10.842 -5.412 1.00 44.50 H new ATOM 0 HG2 GLN A 23 -10.168 9.524 -3.230 1.00 53.15 H new ATOM 0 HG3 GLN A 23 -8.445 9.810 -3.088 1.00 53.15 H new ATOM 0 HE21 GLN A 23 -8.760 10.942 -1.087 1.00 3.03 H new ATOM 0 HE22 GLN A 23 -9.441 12.572 -1.046 1.00 3.03 H new ATOM 397 N VAL A 24 -7.639 7.163 -4.909 1.00 74.40 N ATOM 398 CA VAL A 24 -6.362 6.410 -4.773 1.00 12.41 C ATOM 399 C VAL A 24 -6.465 5.043 -5.471 1.00 24.15 C ATOM 400 O VAL A 24 -7.564 4.570 -5.756 1.00 42.03 O ATOM 401 CB VAL A 24 -5.932 6.216 -3.268 1.00 4.41 C ATOM 402 CG1 VAL A 24 -5.651 7.576 -2.589 1.00 73.13 C ATOM 403 CG2 VAL A 24 -6.980 5.392 -2.475 1.00 1.21 C ATOM 0 H VAL A 24 -8.430 6.718 -4.444 1.00 74.40 H new ATOM 0 HA VAL A 24 -5.590 7.009 -5.257 1.00 12.41 H new ATOM 0 HB VAL A 24 -5.004 5.645 -3.263 1.00 4.41 H new ATOM 0 HG11 VAL A 24 -5.357 7.411 -1.552 1.00 73.13 H new ATOM 0 HG12 VAL A 24 -4.847 8.087 -3.118 1.00 73.13 H new ATOM 0 HG13 VAL A 24 -6.551 8.190 -2.617 1.00 73.13 H new ATOM 0 HG21 VAL A 24 -6.649 5.279 -1.443 1.00 1.21 H new ATOM 0 HG22 VAL A 24 -7.939 5.909 -2.494 1.00 1.21 H new ATOM 0 HG23 VAL A 24 -7.089 4.408 -2.930 1.00 1.21 H new ATOM 413 N GLU A 25 -5.310 4.443 -5.787 1.00 61.32 N ATOM 414 CA GLU A 25 -5.236 3.065 -6.342 1.00 1.51 C ATOM 415 C GLU A 25 -4.807 2.084 -5.237 1.00 53.44 C ATOM 416 O GLU A 25 -3.955 2.419 -4.415 1.00 41.01 O ATOM 417 CB GLU A 25 -4.263 3.035 -7.554 1.00 21.42 C ATOM 418 CG GLU A 25 -2.824 3.511 -7.259 1.00 53.43 C ATOM 419 CD GLU A 25 -2.014 3.798 -8.530 1.00 20.31 C ATOM 420 OE1 GLU A 25 -2.157 4.916 -9.071 1.00 21.32 O ATOM 421 OE2 GLU A 25 -1.255 2.920 -9.011 1.00 12.11 O ATOM 0 H GLU A 25 -4.399 4.888 -5.670 1.00 61.32 H new ATOM 0 HA GLU A 25 -6.218 2.755 -6.700 1.00 1.51 H new ATOM 0 HB2 GLU A 25 -4.219 2.016 -7.938 1.00 21.42 H new ATOM 0 HB3 GLU A 25 -4.678 3.657 -8.347 1.00 21.42 H new ATOM 0 HG2 GLU A 25 -2.864 4.413 -6.649 1.00 53.43 H new ATOM 0 HG3 GLU A 25 -2.309 2.751 -6.671 1.00 53.43 H new ATOM 428 N VAL A 26 -5.412 0.879 -5.202 1.00 43.20 N ATOM 429 CA VAL A 26 -5.164 -0.115 -4.134 1.00 33.14 C ATOM 430 C VAL A 26 -4.669 -1.451 -4.726 1.00 13.12 C ATOM 431 O VAL A 26 -5.226 -1.946 -5.713 1.00 11.14 O ATOM 432 CB VAL A 26 -6.459 -0.360 -3.262 1.00 2.31 C ATOM 433 CG1 VAL A 26 -6.201 -1.366 -2.112 1.00 52.23 C ATOM 434 CG2 VAL A 26 -7.010 0.975 -2.705 1.00 11.14 C ATOM 0 H VAL A 26 -6.081 0.568 -5.906 1.00 43.20 H new ATOM 0 HA VAL A 26 -4.387 0.293 -3.488 1.00 33.14 H new ATOM 0 HB VAL A 26 -7.210 -0.799 -3.918 1.00 2.31 H new ATOM 0 HG11 VAL A 26 -7.117 -1.505 -1.538 1.00 52.23 H new ATOM 0 HG12 VAL A 26 -5.885 -2.322 -2.529 1.00 52.23 H new ATOM 0 HG13 VAL A 26 -5.419 -0.979 -1.459 1.00 52.23 H new ATOM 0 HG21 VAL A 26 -7.901 0.780 -2.108 1.00 11.14 H new ATOM 0 HG22 VAL A 26 -6.252 1.449 -2.081 1.00 11.14 H new ATOM 0 HG23 VAL A 26 -7.265 1.637 -3.533 1.00 11.14 H new ATOM 444 N ARG A 27 -3.603 -2.016 -4.119 1.00 65.41 N ATOM 445 CA ARG A 27 -3.042 -3.328 -4.486 1.00 42.41 C ATOM 446 C ARG A 27 -3.391 -4.366 -3.407 1.00 53.24 C ATOM 447 O ARG A 27 -3.281 -4.080 -2.217 1.00 70.33 O ATOM 448 CB ARG A 27 -1.496 -3.234 -4.649 1.00 42.12 C ATOM 449 CG ARG A 27 -0.992 -2.355 -5.822 1.00 54.30 C ATOM 450 CD ARG A 27 -1.359 -2.904 -7.217 1.00 53.21 C ATOM 451 NE ARG A 27 -2.797 -2.786 -7.528 1.00 10.11 N ATOM 452 CZ ARG A 27 -3.386 -3.214 -8.656 1.00 31.30 C ATOM 453 NH1 ARG A 27 -2.683 -3.788 -9.624 1.00 52.21 N ATOM 454 NH2 ARG A 27 -4.693 -3.071 -8.801 1.00 21.30 N ATOM 0 H ARG A 27 -3.104 -1.566 -3.352 1.00 65.41 H new ATOM 0 HA ARG A 27 -3.475 -3.638 -5.437 1.00 42.41 H new ATOM 0 HB2 ARG A 27 -1.075 -2.845 -3.722 1.00 42.12 H new ATOM 0 HB3 ARG A 27 -1.102 -4.242 -4.780 1.00 42.12 H new ATOM 0 HG2 ARG A 27 -1.407 -1.353 -5.716 1.00 54.30 H new ATOM 0 HG3 ARG A 27 0.092 -2.261 -5.753 1.00 54.30 H new ATOM 0 HD2 ARG A 27 -0.785 -2.369 -7.974 1.00 53.21 H new ATOM 0 HD3 ARG A 27 -1.066 -3.952 -7.277 1.00 53.21 H new ATOM 0 HE ARG A 27 -3.392 -2.343 -6.828 1.00 10.11 H new ATOM 0 HH11 ARG A 27 -1.676 -3.911 -9.519 1.00 52.21 H new ATOM 0 HH12 ARG A 27 -3.150 -4.106 -10.473 1.00 52.21 H new ATOM 0 HH21 ARG A 27 -5.244 -2.639 -8.060 1.00 21.30 H new ATOM 0 HH22 ARG A 27 -5.150 -3.393 -9.654 1.00 21.30 H new ATOM 468 N LEU A 28 -3.812 -5.558 -3.839 1.00 4.31 N ATOM 469 CA LEU A 28 -4.122 -6.684 -2.942 1.00 64.32 C ATOM 470 C LEU A 28 -2.936 -7.665 -2.898 1.00 63.54 C ATOM 471 O LEU A 28 -2.387 -8.034 -3.943 1.00 53.10 O ATOM 472 CB LEU A 28 -5.401 -7.398 -3.429 1.00 33.43 C ATOM 473 CG LEU A 28 -5.888 -8.609 -2.571 1.00 21.22 C ATOM 474 CD1 LEU A 28 -6.164 -8.188 -1.116 1.00 52.21 C ATOM 475 CD2 LEU A 28 -7.126 -9.273 -3.205 1.00 21.42 C ATOM 0 H LEU A 28 -3.949 -5.774 -4.826 1.00 4.31 H new ATOM 0 HA LEU A 28 -4.293 -6.307 -1.934 1.00 64.32 H new ATOM 0 HB2 LEU A 28 -6.206 -6.665 -3.473 1.00 33.43 H new ATOM 0 HB3 LEU A 28 -5.231 -7.747 -4.448 1.00 33.43 H new ATOM 0 HG LEU A 28 -5.086 -9.347 -2.552 1.00 21.22 H new ATOM 0 HD11 LEU A 28 -6.501 -9.053 -0.545 1.00 52.21 H new ATOM 0 HD12 LEU A 28 -5.250 -7.794 -0.672 1.00 52.21 H new ATOM 0 HD13 LEU A 28 -6.936 -7.419 -1.100 1.00 52.21 H new ATOM 0 HD21 LEU A 28 -7.444 -10.113 -2.588 1.00 21.42 H new ATOM 0 HD22 LEU A 28 -7.935 -8.545 -3.273 1.00 21.42 H new ATOM 0 HD23 LEU A 28 -6.876 -9.631 -4.204 1.00 21.42 H new ATOM 487 N VAL A 29 -2.549 -8.069 -1.676 1.00 65.14 N ATOM 488 CA VAL A 29 -1.471 -9.037 -1.438 1.00 64.30 C ATOM 489 C VAL A 29 -2.020 -10.225 -0.634 1.00 41.51 C ATOM 490 O VAL A 29 -2.264 -10.114 0.573 1.00 71.43 O ATOM 491 CB VAL A 29 -0.271 -8.356 -0.675 1.00 52.42 C ATOM 492 CG1 VAL A 29 0.825 -9.373 -0.289 1.00 60.11 C ATOM 493 CG2 VAL A 29 0.327 -7.203 -1.509 1.00 20.13 C ATOM 0 H VAL A 29 -2.982 -7.727 -0.818 1.00 65.14 H new ATOM 0 HA VAL A 29 -1.096 -9.397 -2.396 1.00 64.30 H new ATOM 0 HB VAL A 29 -0.673 -7.945 0.251 1.00 52.42 H new ATOM 0 HG11 VAL A 29 1.631 -8.858 0.234 1.00 60.11 H new ATOM 0 HG12 VAL A 29 0.400 -10.137 0.362 1.00 60.11 H new ATOM 0 HG13 VAL A 29 1.219 -9.843 -1.190 1.00 60.11 H new ATOM 0 HG21 VAL A 29 1.153 -6.749 -0.962 1.00 20.13 H new ATOM 0 HG22 VAL A 29 0.692 -7.593 -2.459 1.00 20.13 H new ATOM 0 HG23 VAL A 29 -0.441 -6.452 -1.695 1.00 20.13 H new ATOM 503 N THR A 30 -2.244 -11.356 -1.323 1.00 5.12 N ATOM 504 CA THR A 30 -2.713 -12.600 -0.681 1.00 20.10 C ATOM 505 C THR A 30 -1.511 -13.503 -0.344 1.00 13.31 C ATOM 506 O THR A 30 -1.500 -14.197 0.683 1.00 4.51 O ATOM 507 CB THR A 30 -3.728 -13.364 -1.585 1.00 64.24 C ATOM 508 OG1 THR A 30 -3.111 -13.702 -2.836 1.00 35.14 O ATOM 509 CG2 THR A 30 -4.997 -12.535 -1.847 1.00 42.52 C ATOM 0 H THR A 30 -2.107 -11.436 -2.331 1.00 5.12 H new ATOM 0 HA THR A 30 -3.230 -12.330 0.240 1.00 20.10 H new ATOM 0 HB THR A 30 -4.021 -14.271 -1.057 1.00 64.24 H new ATOM 0 HG1 THR A 30 -2.308 -13.155 -2.963 1.00 35.14 H new ATOM 0 HG21 THR A 30 -5.678 -13.103 -2.481 1.00 42.52 H new ATOM 0 HG22 THR A 30 -5.486 -12.309 -0.899 1.00 42.52 H new ATOM 0 HG23 THR A 30 -4.727 -11.605 -2.347 1.00 42.52 H new ATOM 517 N THR A 31 -0.503 -13.469 -1.226 1.00 42.42 N ATOM 518 CA THR A 31 0.783 -14.163 -1.051 1.00 35.13 C ATOM 519 C THR A 31 1.913 -13.139 -1.247 1.00 70.15 C ATOM 520 O THR A 31 1.658 -12.027 -1.733 1.00 73.44 O ATOM 521 CB THR A 31 0.941 -15.329 -2.091 1.00 52.53 C ATOM 522 OG1 THR A 31 0.915 -14.800 -3.425 1.00 11.12 O ATOM 523 CG2 THR A 31 -0.167 -16.391 -1.953 1.00 52.21 C ATOM 0 H THR A 31 -0.559 -12.947 -2.101 1.00 42.42 H new ATOM 0 HA THR A 31 0.825 -14.597 -0.052 1.00 35.13 H new ATOM 0 HB THR A 31 1.898 -15.811 -1.888 1.00 52.53 H new ATOM 0 HG1 THR A 31 0.216 -14.116 -3.492 1.00 11.12 H new ATOM 0 HG21 THR A 31 -0.013 -17.176 -2.694 1.00 52.21 H new ATOM 0 HG22 THR A 31 -0.133 -16.824 -0.953 1.00 52.21 H new ATOM 0 HG23 THR A 31 -1.139 -15.925 -2.114 1.00 52.21 H new ATOM 531 N GLU A 32 3.158 -13.520 -0.892 1.00 22.03 N ATOM 532 CA GLU A 32 4.344 -12.658 -1.106 1.00 21.45 C ATOM 533 C GLU A 32 4.597 -12.430 -2.608 1.00 61.24 C ATOM 534 O GLU A 32 5.217 -11.439 -2.977 1.00 3.53 O ATOM 535 CB GLU A 32 5.615 -13.254 -0.448 1.00 23.22 C ATOM 536 CG GLU A 32 6.868 -12.356 -0.598 1.00 61.20 C ATOM 537 CD GLU A 32 8.137 -12.960 -0.017 1.00 14.23 C ATOM 538 OE1 GLU A 32 8.728 -13.859 -0.657 1.00 22.31 O ATOM 539 OE2 GLU A 32 8.571 -12.531 1.068 1.00 3.11 O ATOM 0 H GLU A 32 3.370 -14.418 -0.456 1.00 22.03 H new ATOM 0 HA GLU A 32 4.129 -11.701 -0.631 1.00 21.45 H new ATOM 0 HB2 GLU A 32 5.422 -13.420 0.612 1.00 23.22 H new ATOM 0 HB3 GLU A 32 5.821 -14.228 -0.891 1.00 23.22 H new ATOM 0 HG2 GLU A 32 7.028 -12.148 -1.656 1.00 61.20 H new ATOM 0 HG3 GLU A 32 6.677 -11.400 -0.111 1.00 61.20 H new ATOM 546 N GLU A 33 4.107 -13.350 -3.469 1.00 20.02 N ATOM 547 CA GLU A 33 4.204 -13.201 -4.930 1.00 4.23 C ATOM 548 C GLU A 33 3.523 -11.896 -5.395 1.00 24.32 C ATOM 549 O GLU A 33 4.010 -11.218 -6.301 1.00 14.21 O ATOM 550 CB GLU A 33 3.588 -14.423 -5.645 1.00 23.52 C ATOM 551 CG GLU A 33 4.275 -15.756 -5.288 1.00 21.13 C ATOM 552 CD GLU A 33 3.896 -16.903 -6.240 1.00 35.41 C ATOM 553 OE1 GLU A 33 4.448 -16.961 -7.360 1.00 54.20 O ATOM 554 OE2 GLU A 33 3.041 -17.739 -5.894 1.00 11.32 O ATOM 0 H GLU A 33 3.639 -14.206 -3.171 1.00 20.02 H new ATOM 0 HA GLU A 33 5.260 -13.146 -5.196 1.00 4.23 H new ATOM 0 HB2 GLU A 33 2.531 -14.489 -5.389 1.00 23.52 H new ATOM 0 HB3 GLU A 33 3.646 -14.271 -6.723 1.00 23.52 H new ATOM 0 HG2 GLU A 33 5.356 -15.618 -5.308 1.00 21.13 H new ATOM 0 HG3 GLU A 33 4.008 -16.034 -4.269 1.00 21.13 H new ATOM 561 N ASP A 34 2.407 -11.549 -4.730 1.00 22.24 N ATOM 562 CA ASP A 34 1.673 -10.295 -4.968 1.00 41.54 C ATOM 563 C ASP A 34 2.445 -9.088 -4.412 1.00 34.13 C ATOM 564 O ASP A 34 2.407 -8.009 -5.001 1.00 44.05 O ATOM 565 CB ASP A 34 0.267 -10.353 -4.331 1.00 13.35 C ATOM 566 CG ASP A 34 -0.596 -11.509 -4.857 1.00 24.40 C ATOM 567 OD1 ASP A 34 -0.992 -11.476 -6.044 1.00 53.53 O ATOM 568 OD2 ASP A 34 -0.888 -12.451 -4.091 1.00 52.25 O ATOM 0 H ASP A 34 1.987 -12.135 -4.008 1.00 22.24 H new ATOM 0 HA ASP A 34 1.569 -10.175 -6.046 1.00 41.54 H new ATOM 0 HB2 ASP A 34 0.370 -10.450 -3.250 1.00 13.35 H new ATOM 0 HB3 ASP A 34 -0.248 -9.411 -4.519 1.00 13.35 H new ATOM 573 N ALA A 35 3.138 -9.292 -3.268 1.00 65.11 N ATOM 574 CA ALA A 35 4.000 -8.260 -2.652 1.00 2.41 C ATOM 575 C ALA A 35 5.193 -7.923 -3.568 1.00 1.41 C ATOM 576 O ALA A 35 5.637 -6.776 -3.611 1.00 73.25 O ATOM 577 CB ALA A 35 4.488 -8.724 -1.269 1.00 1.31 C ATOM 0 H ALA A 35 3.115 -10.170 -2.750 1.00 65.11 H new ATOM 0 HA ALA A 35 3.409 -7.353 -2.522 1.00 2.41 H new ATOM 0 HB1 ALA A 35 5.121 -7.953 -0.829 1.00 1.31 H new ATOM 0 HB2 ALA A 35 3.630 -8.902 -0.621 1.00 1.31 H new ATOM 0 HB3 ALA A 35 5.060 -9.646 -1.375 1.00 1.31 H new ATOM 583 N LYS A 36 5.694 -8.945 -4.296 1.00 12.42 N ATOM 584 CA LYS A 36 6.737 -8.765 -5.319 1.00 65.31 C ATOM 585 C LYS A 36 6.187 -7.976 -6.517 1.00 23.02 C ATOM 586 O LYS A 36 6.866 -7.092 -7.043 1.00 53.50 O ATOM 587 CB LYS A 36 7.270 -10.135 -5.788 1.00 10.01 C ATOM 588 CG LYS A 36 7.928 -10.967 -4.673 1.00 71.42 C ATOM 589 CD LYS A 36 8.391 -12.351 -5.179 1.00 43.44 C ATOM 590 CE LYS A 36 9.082 -13.184 -4.089 1.00 40.43 C ATOM 591 NZ LYS A 36 9.733 -14.410 -4.633 1.00 4.21 N ATOM 0 H LYS A 36 5.386 -9.911 -4.189 1.00 12.42 H new ATOM 0 HA LYS A 36 7.558 -8.200 -4.877 1.00 65.31 H new ATOM 0 HB2 LYS A 36 6.446 -10.707 -6.215 1.00 10.01 H new ATOM 0 HB3 LYS A 36 7.996 -9.977 -6.586 1.00 10.01 H new ATOM 0 HG2 LYS A 36 8.783 -10.423 -4.272 1.00 71.42 H new ATOM 0 HG3 LYS A 36 7.221 -11.099 -3.854 1.00 71.42 H new ATOM 0 HD2 LYS A 36 7.530 -12.901 -5.558 1.00 43.44 H new ATOM 0 HD3 LYS A 36 9.076 -12.216 -6.016 1.00 43.44 H new ATOM 0 HE2 LYS A 36 9.831 -12.571 -3.588 1.00 40.43 H new ATOM 0 HE3 LYS A 36 8.348 -13.470 -3.335 1.00 40.43 H new ATOM 0 HZ1 LYS A 36 10.184 -14.936 -3.858 1.00 4.21 H new ATOM 0 HZ2 LYS A 36 9.016 -15.011 -5.088 1.00 4.21 H new ATOM 0 HZ3 LYS A 36 10.453 -14.139 -5.333 1.00 4.21 H new ATOM 605 N GLN A 37 4.945 -8.321 -6.935 1.00 51.21 N ATOM 606 CA GLN A 37 4.210 -7.572 -7.971 1.00 51.32 C ATOM 607 C GLN A 37 4.031 -6.096 -7.548 1.00 25.12 C ATOM 608 O GLN A 37 4.039 -5.220 -8.403 1.00 5.35 O ATOM 609 CB GLN A 37 2.832 -8.222 -8.267 1.00 14.13 C ATOM 610 CG GLN A 37 2.891 -9.610 -8.934 1.00 50.33 C ATOM 611 CD GLN A 37 1.497 -10.206 -9.176 1.00 31.25 C ATOM 612 OE1 GLN A 37 0.990 -10.977 -8.224 1.00 51.02 O flip ATOM 613 NE2 GLN A 37 0.886 -9.978 -10.219 1.00 21.41 N flip ATOM 0 H GLN A 37 4.432 -9.121 -6.564 1.00 51.21 H new ATOM 0 HA GLN A 37 4.799 -7.605 -8.887 1.00 51.32 H new ATOM 0 HB2 GLN A 37 2.281 -8.310 -7.331 1.00 14.13 H new ATOM 0 HB3 GLN A 37 2.263 -7.551 -8.910 1.00 14.13 H new ATOM 0 HG2 GLN A 37 3.419 -9.531 -9.884 1.00 50.33 H new ATOM 0 HG3 GLN A 37 3.468 -10.288 -8.305 1.00 50.33 H new ATOM 0 HE21 GLN A 37 1.302 -9.381 -10.934 1.00 21.41 H new ATOM 0 HE22 GLN A 37 -0.037 -10.386 -10.369 1.00 21.41 H new ATOM 622 N VAL A 38 3.887 -5.848 -6.219 1.00 1.03 N ATOM 623 CA VAL A 38 3.820 -4.483 -5.662 1.00 51.34 C ATOM 624 C VAL A 38 5.171 -3.757 -5.821 1.00 74.52 C ATOM 625 O VAL A 38 5.188 -2.634 -6.310 1.00 32.41 O ATOM 626 CB VAL A 38 3.356 -4.490 -4.152 1.00 22.44 C ATOM 627 CG1 VAL A 38 3.483 -3.096 -3.499 1.00 50.01 C ATOM 628 CG2 VAL A 38 1.906 -5.001 -4.025 1.00 41.32 C ATOM 0 H VAL A 38 3.815 -6.584 -5.516 1.00 1.03 H new ATOM 0 HA VAL A 38 3.069 -3.935 -6.231 1.00 51.34 H new ATOM 0 HB VAL A 38 4.022 -5.170 -3.620 1.00 22.44 H new ATOM 0 HG11 VAL A 38 3.153 -3.149 -2.462 1.00 50.01 H new ATOM 0 HG12 VAL A 38 4.523 -2.772 -3.533 1.00 50.01 H new ATOM 0 HG13 VAL A 38 2.863 -2.382 -4.041 1.00 50.01 H new ATOM 0 HG21 VAL A 38 1.609 -4.997 -2.976 1.00 41.32 H new ATOM 0 HG22 VAL A 38 1.240 -4.351 -4.593 1.00 41.32 H new ATOM 0 HG23 VAL A 38 1.843 -6.017 -4.416 1.00 41.32 H new ATOM 638 N ILE A 39 6.291 -4.431 -5.449 1.00 45.53 N ATOM 639 CA ILE A 39 7.664 -3.860 -5.563 1.00 23.52 C ATOM 640 C ILE A 39 7.936 -3.347 -6.999 1.00 53.11 C ATOM 641 O ILE A 39 8.468 -2.249 -7.188 1.00 63.04 O ATOM 642 CB ILE A 39 8.756 -4.918 -5.137 1.00 53.53 C ATOM 643 CG1 ILE A 39 8.533 -5.362 -3.660 1.00 31.13 C ATOM 644 CG2 ILE A 39 10.195 -4.371 -5.323 1.00 1.41 C ATOM 645 CD1 ILE A 39 9.439 -6.482 -3.180 1.00 73.41 C ATOM 0 H ILE A 39 6.271 -5.376 -5.065 1.00 45.53 H new ATOM 0 HA ILE A 39 7.727 -3.012 -4.881 1.00 23.52 H new ATOM 0 HB ILE A 39 8.647 -5.783 -5.791 1.00 53.53 H new ATOM 0 HG12 ILE A 39 8.675 -4.497 -3.012 1.00 31.13 H new ATOM 0 HG13 ILE A 39 7.497 -5.679 -3.545 1.00 31.13 H new ATOM 0 HG21 ILE A 39 10.915 -5.130 -5.018 1.00 1.41 H new ATOM 0 HG22 ILE A 39 10.356 -4.118 -6.371 1.00 1.41 H new ATOM 0 HG23 ILE A 39 10.327 -3.479 -4.710 1.00 1.41 H new ATOM 0 HD11 ILE A 39 9.206 -6.718 -2.142 1.00 73.41 H new ATOM 0 HD12 ILE A 39 9.282 -7.367 -3.797 1.00 73.41 H new ATOM 0 HD13 ILE A 39 10.479 -6.166 -3.256 1.00 73.41 H new ATOM 657 N LYS A 40 7.511 -4.154 -7.989 1.00 23.31 N ATOM 658 CA LYS A 40 7.582 -3.807 -9.418 1.00 4.41 C ATOM 659 C LYS A 40 6.608 -2.661 -9.770 1.00 43.24 C ATOM 660 O LYS A 40 7.010 -1.680 -10.397 1.00 14.22 O ATOM 661 CB LYS A 40 7.251 -5.047 -10.274 1.00 70.24 C ATOM 662 CG LYS A 40 8.120 -6.283 -9.975 1.00 53.24 C ATOM 663 CD LYS A 40 7.756 -7.491 -10.862 1.00 71.32 C ATOM 664 CE LYS A 40 8.438 -8.790 -10.399 1.00 50.11 C ATOM 665 NZ LYS A 40 9.919 -8.670 -10.300 1.00 12.11 N ATOM 0 H LYS A 40 7.105 -5.074 -7.816 1.00 23.31 H new ATOM 0 HA LYS A 40 8.596 -3.469 -9.631 1.00 4.41 H new ATOM 0 HB2 LYS A 40 6.204 -5.309 -10.120 1.00 70.24 H new ATOM 0 HB3 LYS A 40 7.363 -4.786 -11.326 1.00 70.24 H new ATOM 0 HG2 LYS A 40 9.170 -6.030 -10.125 1.00 53.24 H new ATOM 0 HG3 LYS A 40 8.005 -6.559 -8.927 1.00 53.24 H new ATOM 0 HD2 LYS A 40 6.675 -7.630 -10.855 1.00 71.32 H new ATOM 0 HD3 LYS A 40 8.044 -7.281 -11.892 1.00 71.32 H new ATOM 0 HE2 LYS A 40 8.037 -9.077 -9.427 1.00 50.11 H new ATOM 0 HE3 LYS A 40 8.190 -9.591 -11.095 1.00 50.11 H new ATOM 0 HZ1 LYS A 40 10.325 -9.590 -10.033 1.00 12.11 H new ATOM 0 HZ2 LYS A 40 10.306 -8.374 -11.219 1.00 12.11 H new ATOM 0 HZ3 LYS A 40 10.162 -7.962 -9.578 1.00 12.11 H new ATOM 679 N GLU A 41 5.341 -2.811 -9.305 1.00 52.14 N ATOM 680 CA GLU A 41 4.220 -1.900 -9.622 1.00 31.25 C ATOM 681 C GLU A 41 4.582 -0.445 -9.291 1.00 2.22 C ATOM 682 O GLU A 41 4.419 0.452 -10.122 1.00 72.24 O ATOM 683 CB GLU A 41 2.963 -2.309 -8.805 1.00 73.43 C ATOM 684 CG GLU A 41 1.643 -1.597 -9.192 1.00 44.21 C ATOM 685 CD GLU A 41 0.947 -2.188 -10.440 1.00 14.31 C ATOM 686 OE1 GLU A 41 1.591 -2.330 -11.500 1.00 14.44 O ATOM 687 OE2 GLU A 41 -0.256 -2.502 -10.367 1.00 55.23 O ATOM 0 H GLU A 41 5.070 -3.580 -8.692 1.00 52.14 H new ATOM 0 HA GLU A 41 4.013 -1.976 -10.690 1.00 31.25 H new ATOM 0 HB2 GLU A 41 2.818 -3.384 -8.912 1.00 73.43 H new ATOM 0 HB3 GLU A 41 3.161 -2.117 -7.750 1.00 73.43 H new ATOM 0 HG2 GLU A 41 0.955 -1.647 -8.348 1.00 44.21 H new ATOM 0 HG3 GLU A 41 1.851 -0.542 -9.371 1.00 44.21 H new ATOM 694 N ILE A 42 5.105 -0.281 -8.062 1.00 65.32 N ATOM 695 CA ILE A 42 5.585 0.988 -7.514 1.00 41.01 C ATOM 696 C ILE A 42 6.567 1.680 -8.484 1.00 11.11 C ATOM 697 O ILE A 42 6.306 2.785 -8.945 1.00 44.43 O ATOM 698 CB ILE A 42 6.285 0.742 -6.128 1.00 63.04 C ATOM 699 CG1 ILE A 42 5.290 0.176 -5.066 1.00 71.42 C ATOM 700 CG2 ILE A 42 6.951 2.022 -5.610 1.00 52.21 C ATOM 701 CD1 ILE A 42 5.964 -0.320 -3.791 1.00 51.31 C ATOM 0 H ILE A 42 5.206 -1.057 -7.407 1.00 65.32 H new ATOM 0 HA ILE A 42 4.726 1.644 -7.376 1.00 41.01 H new ATOM 0 HB ILE A 42 7.058 -0.009 -6.291 1.00 63.04 H new ATOM 0 HG12 ILE A 42 4.570 0.952 -4.807 1.00 71.42 H new ATOM 0 HG13 ILE A 42 4.727 -0.645 -5.511 1.00 71.42 H new ATOM 0 HG21 ILE A 42 7.427 1.822 -4.650 1.00 52.21 H new ATOM 0 HG22 ILE A 42 7.703 2.356 -6.325 1.00 52.21 H new ATOM 0 HG23 ILE A 42 6.197 2.800 -5.486 1.00 52.21 H new ATOM 0 HD11 ILE A 42 5.208 -0.698 -3.103 1.00 51.31 H new ATOM 0 HD12 ILE A 42 6.663 -1.120 -4.036 1.00 51.31 H new ATOM 0 HD13 ILE A 42 6.504 0.502 -3.321 1.00 51.31 H new ATOM 713 N GLN A 43 7.652 0.964 -8.823 1.00 74.42 N ATOM 714 CA GLN A 43 8.783 1.523 -9.593 1.00 64.45 C ATOM 715 C GLN A 43 8.366 1.868 -11.034 1.00 34.53 C ATOM 716 O GLN A 43 8.799 2.890 -11.580 1.00 10.22 O ATOM 717 CB GLN A 43 9.960 0.518 -9.581 1.00 73.44 C ATOM 718 CG GLN A 43 10.441 0.135 -8.166 1.00 52.42 C ATOM 719 CD GLN A 43 11.557 -0.912 -8.155 1.00 15.42 C ATOM 720 OE1 GLN A 43 11.544 -1.794 -7.169 1.00 34.44 O flip ATOM 721 NE2 GLN A 43 12.403 -0.954 -9.051 1.00 74.40 N flip ATOM 0 H GLN A 43 7.773 -0.017 -8.573 1.00 74.42 H new ATOM 0 HA GLN A 43 9.102 2.453 -9.122 1.00 64.45 H new ATOM 0 HB2 GLN A 43 9.658 -0.387 -10.109 1.00 73.44 H new ATOM 0 HB3 GLN A 43 10.796 0.946 -10.135 1.00 73.44 H new ATOM 0 HG2 GLN A 43 10.792 1.032 -7.657 1.00 52.42 H new ATOM 0 HG3 GLN A 43 9.594 -0.245 -7.595 1.00 52.42 H new ATOM 0 HE21 GLN A 43 12.389 -0.261 -9.799 1.00 74.40 H new ATOM 0 HE22 GLN A 43 13.117 -1.682 -9.044 1.00 74.40 H new ATOM 730 N LYS A 44 7.498 1.014 -11.620 1.00 53.03 N ATOM 731 CA LYS A 44 7.004 1.191 -13.001 1.00 43.41 C ATOM 732 C LYS A 44 6.015 2.371 -13.101 1.00 51.13 C ATOM 733 O LYS A 44 5.982 3.076 -14.115 1.00 73.51 O ATOM 734 CB LYS A 44 6.351 -0.120 -13.525 1.00 64.15 C ATOM 735 CG LYS A 44 7.308 -1.335 -13.611 1.00 74.12 C ATOM 736 CD LYS A 44 8.606 -1.041 -14.404 1.00 1.45 C ATOM 737 CE LYS A 44 9.474 -2.291 -14.619 1.00 75.13 C ATOM 738 NZ LYS A 44 8.815 -3.281 -15.510 1.00 65.52 N ATOM 0 H LYS A 44 7.123 0.189 -11.152 1.00 53.03 H new ATOM 0 HA LYS A 44 7.862 1.425 -13.631 1.00 43.41 H new ATOM 0 HB2 LYS A 44 5.516 -0.379 -12.874 1.00 64.15 H new ATOM 0 HB3 LYS A 44 5.936 0.068 -14.515 1.00 64.15 H new ATOM 0 HG2 LYS A 44 7.571 -1.653 -12.602 1.00 74.12 H new ATOM 0 HG3 LYS A 44 6.785 -2.168 -14.081 1.00 74.12 H new ATOM 0 HD2 LYS A 44 8.345 -0.616 -15.373 1.00 1.45 H new ATOM 0 HD3 LYS A 44 9.188 -0.288 -13.872 1.00 1.45 H new ATOM 0 HE2 LYS A 44 10.432 -1.998 -15.049 1.00 75.13 H new ATOM 0 HE3 LYS A 44 9.686 -2.755 -13.656 1.00 75.13 H new ATOM 0 HZ1 LYS A 44 9.485 -4.043 -15.737 1.00 65.52 H new ATOM 0 HZ2 LYS A 44 7.985 -3.682 -15.029 1.00 65.52 H new ATOM 0 HZ3 LYS A 44 8.514 -2.812 -16.388 1.00 65.52 H new ATOM 752 N LYS A 45 5.203 2.558 -12.042 1.00 3.14 N ATOM 753 CA LYS A 45 4.252 3.686 -11.935 1.00 15.21 C ATOM 754 C LYS A 45 4.972 4.961 -11.437 1.00 13.20 C ATOM 755 O LYS A 45 4.429 6.063 -11.570 1.00 42.55 O ATOM 756 CB LYS A 45 3.051 3.323 -10.988 1.00 63.53 C ATOM 757 CG LYS A 45 1.763 2.732 -11.649 1.00 31.52 C ATOM 758 CD LYS A 45 1.791 1.211 -11.962 1.00 42.14 C ATOM 759 CE LYS A 45 2.655 0.829 -13.168 1.00 51.13 C ATOM 760 NZ LYS A 45 2.578 -0.619 -13.466 1.00 22.23 N ATOM 0 H LYS A 45 5.187 1.933 -11.236 1.00 3.14 H new ATOM 0 HA LYS A 45 3.850 3.883 -12.929 1.00 15.21 H new ATOM 0 HB2 LYS A 45 3.410 2.606 -10.250 1.00 63.53 H new ATOM 0 HB3 LYS A 45 2.767 4.224 -10.445 1.00 63.53 H new ATOM 0 HG2 LYS A 45 0.917 2.931 -10.991 1.00 31.52 H new ATOM 0 HG3 LYS A 45 1.577 3.270 -12.578 1.00 31.52 H new ATOM 0 HD2 LYS A 45 2.158 0.679 -11.084 1.00 42.14 H new ATOM 0 HD3 LYS A 45 0.771 0.870 -12.139 1.00 42.14 H new ATOM 0 HE2 LYS A 45 2.332 1.397 -14.040 1.00 51.13 H new ATOM 0 HE3 LYS A 45 3.691 1.105 -12.974 1.00 51.13 H new ATOM 0 HZ1 LYS A 45 3.524 -0.974 -13.712 1.00 22.23 H new ATOM 0 HZ2 LYS A 45 2.225 -1.127 -12.630 1.00 22.23 H new ATOM 0 HZ3 LYS A 45 1.931 -0.775 -14.265 1.00 22.23 H new ATOM 774 N GLY A 46 6.177 4.792 -10.860 1.00 75.40 N ATOM 775 CA GLY A 46 6.945 5.901 -10.289 1.00 75.33 C ATOM 776 C GLY A 46 6.325 6.449 -9.010 1.00 60.22 C ATOM 777 O GLY A 46 6.166 7.658 -8.858 1.00 55.10 O ATOM 0 H GLY A 46 6.638 3.886 -10.780 1.00 75.40 H new ATOM 0 HA2 GLY A 46 7.961 5.565 -10.080 1.00 75.33 H new ATOM 0 HA3 GLY A 46 7.019 6.702 -11.024 1.00 75.33 H new ATOM 781 N VAL A 47 5.944 5.547 -8.103 1.00 2.12 N ATOM 782 CA VAL A 47 5.257 5.891 -6.852 1.00 12.25 C ATOM 783 C VAL A 47 6.292 6.141 -5.749 1.00 40.20 C ATOM 784 O VAL A 47 7.095 5.262 -5.455 1.00 45.44 O ATOM 785 CB VAL A 47 4.293 4.740 -6.410 1.00 42.11 C ATOM 786 CG1 VAL A 47 3.407 5.161 -5.224 1.00 31.31 C ATOM 787 CG2 VAL A 47 3.447 4.251 -7.596 1.00 51.02 C ATOM 0 H VAL A 47 6.105 4.546 -8.216 1.00 2.12 H new ATOM 0 HA VAL A 47 4.668 6.793 -7.019 1.00 12.25 H new ATOM 0 HB VAL A 47 4.908 3.907 -6.068 1.00 42.11 H new ATOM 0 HG11 VAL A 47 2.752 4.335 -4.948 1.00 31.31 H new ATOM 0 HG12 VAL A 47 4.037 5.425 -4.375 1.00 31.31 H new ATOM 0 HG13 VAL A 47 2.803 6.023 -5.509 1.00 31.31 H new ATOM 0 HG21 VAL A 47 2.785 3.451 -7.265 1.00 51.02 H new ATOM 0 HG22 VAL A 47 2.852 5.078 -7.984 1.00 51.02 H new ATOM 0 HG23 VAL A 47 4.104 3.877 -8.381 1.00 51.02 H new ATOM 797 N GLN A 48 6.286 7.343 -5.179 1.00 64.34 N ATOM 798 CA GLN A 48 7.193 7.708 -4.073 1.00 74.32 C ATOM 799 C GLN A 48 6.542 7.405 -2.716 1.00 53.12 C ATOM 800 O GLN A 48 7.234 7.057 -1.758 1.00 72.40 O ATOM 801 CB GLN A 48 7.607 9.204 -4.155 1.00 43.12 C ATOM 802 CG GLN A 48 8.558 9.560 -5.324 1.00 44.51 C ATOM 803 CD GLN A 48 7.939 9.420 -6.721 1.00 60.23 C ATOM 804 OE1 GLN A 48 6.672 9.795 -6.876 1.00 74.51 O flip ATOM 805 NE2 GLN A 48 8.620 9.037 -7.679 1.00 2.34 N flip ATOM 0 H GLN A 48 5.658 8.095 -5.463 1.00 64.34 H new ATOM 0 HA GLN A 48 8.095 7.103 -4.169 1.00 74.32 H new ATOM 0 HB2 GLN A 48 6.705 9.810 -4.243 1.00 43.12 H new ATOM 0 HB3 GLN A 48 8.088 9.484 -3.218 1.00 43.12 H new ATOM 0 HG2 GLN A 48 8.901 10.586 -5.195 1.00 44.51 H new ATOM 0 HG3 GLN A 48 9.438 8.920 -5.266 1.00 44.51 H new ATOM 0 HE21 GLN A 48 9.589 8.755 -7.535 1.00 2.34 H new ATOM 0 HE22 GLN A 48 8.212 9.004 -8.613 1.00 2.34 H new ATOM 814 N LYS A 49 5.205 7.524 -2.650 1.00 2.14 N ATOM 815 CA LYS A 49 4.446 7.327 -1.404 1.00 25.23 C ATOM 816 C LYS A 49 3.579 6.068 -1.522 1.00 33.34 C ATOM 817 O LYS A 49 2.648 6.011 -2.327 1.00 42.34 O ATOM 818 CB LYS A 49 3.552 8.569 -1.155 1.00 55.13 C ATOM 819 CG LYS A 49 4.319 9.866 -0.816 1.00 73.34 C ATOM 820 CD LYS A 49 3.421 11.121 -0.892 1.00 43.30 C ATOM 821 CE LYS A 49 4.088 12.384 -0.308 1.00 45.02 C ATOM 822 NZ LYS A 49 4.168 12.355 1.178 1.00 74.01 N ATOM 0 H LYS A 49 4.623 7.758 -3.454 1.00 2.14 H new ATOM 0 HA LYS A 49 5.133 7.202 -0.567 1.00 25.23 H new ATOM 0 HB2 LYS A 49 2.945 8.745 -2.043 1.00 55.13 H new ATOM 0 HB3 LYS A 49 2.865 8.346 -0.338 1.00 55.13 H new ATOM 0 HG2 LYS A 49 4.740 9.784 0.186 1.00 73.34 H new ATOM 0 HG3 LYS A 49 5.156 9.980 -1.505 1.00 73.34 H new ATOM 0 HD2 LYS A 49 3.155 11.307 -1.933 1.00 43.30 H new ATOM 0 HD3 LYS A 49 2.492 10.928 -0.355 1.00 43.30 H new ATOM 0 HE2 LYS A 49 5.092 12.483 -0.720 1.00 45.02 H new ATOM 0 HE3 LYS A 49 3.526 13.264 -0.621 1.00 45.02 H new ATOM 0 HZ1 LYS A 49 5.003 12.890 1.491 1.00 74.01 H new ATOM 0 HZ2 LYS A 49 3.311 12.785 1.580 1.00 74.01 H new ATOM 0 HZ3 LYS A 49 4.246 11.370 1.502 1.00 74.01 H new ATOM 836 N VAL A 50 3.896 5.072 -0.688 1.00 11.33 N ATOM 837 CA VAL A 50 3.249 3.752 -0.695 1.00 41.43 C ATOM 838 C VAL A 50 2.779 3.424 0.720 1.00 34.22 C ATOM 839 O VAL A 50 3.583 3.366 1.652 1.00 31.33 O ATOM 840 CB VAL A 50 4.237 2.630 -1.194 1.00 52.23 C ATOM 841 CG1 VAL A 50 3.559 1.233 -1.215 1.00 10.33 C ATOM 842 CG2 VAL A 50 4.812 2.995 -2.577 1.00 22.34 C ATOM 0 H VAL A 50 4.621 5.160 0.024 1.00 11.33 H new ATOM 0 HA VAL A 50 2.402 3.784 -1.381 1.00 41.43 H new ATOM 0 HB VAL A 50 5.062 2.571 -0.484 1.00 52.23 H new ATOM 0 HG11 VAL A 50 4.273 0.487 -1.565 1.00 10.33 H new ATOM 0 HG12 VAL A 50 3.227 0.974 -0.209 1.00 10.33 H new ATOM 0 HG13 VAL A 50 2.700 1.255 -1.886 1.00 10.33 H new ATOM 0 HG21 VAL A 50 5.492 2.210 -2.907 1.00 22.34 H new ATOM 0 HG22 VAL A 50 3.998 3.095 -3.295 1.00 22.34 H new ATOM 0 HG23 VAL A 50 5.353 3.939 -2.509 1.00 22.34 H new ATOM 852 N VAL A 51 1.470 3.214 0.868 1.00 15.54 N ATOM 853 CA VAL A 51 0.859 2.822 2.135 1.00 62.53 C ATOM 854 C VAL A 51 0.911 1.292 2.265 1.00 62.32 C ATOM 855 O VAL A 51 0.625 0.589 1.301 1.00 33.32 O ATOM 856 CB VAL A 51 -0.635 3.288 2.201 1.00 11.12 C ATOM 857 CG1 VAL A 51 -1.236 3.033 3.590 1.00 53.33 C ATOM 858 CG2 VAL A 51 -0.783 4.763 1.797 1.00 11.23 C ATOM 0 H VAL A 51 0.801 3.312 0.105 1.00 15.54 H new ATOM 0 HA VAL A 51 1.410 3.294 2.949 1.00 62.53 H new ATOM 0 HB VAL A 51 -1.195 2.692 1.480 1.00 11.12 H new ATOM 0 HG11 VAL A 51 -2.274 3.367 3.604 1.00 53.33 H new ATOM 0 HG12 VAL A 51 -1.195 1.967 3.814 1.00 53.33 H new ATOM 0 HG13 VAL A 51 -0.667 3.584 4.339 1.00 53.33 H new ATOM 0 HG21 VAL A 51 -1.832 5.052 1.854 1.00 11.23 H new ATOM 0 HG22 VAL A 51 -0.197 5.386 2.473 1.00 11.23 H new ATOM 0 HG23 VAL A 51 -0.424 4.899 0.777 1.00 11.23 H new ATOM 868 N LEU A 52 1.306 0.783 3.434 1.00 4.12 N ATOM 869 CA LEU A 52 1.247 -0.654 3.743 1.00 54.44 C ATOM 870 C LEU A 52 0.290 -0.867 4.944 1.00 20.43 C ATOM 871 O LEU A 52 0.665 -0.651 6.099 1.00 2.53 O ATOM 872 CB LEU A 52 2.679 -1.207 4.021 1.00 15.25 C ATOM 873 CG LEU A 52 3.679 -1.226 2.805 1.00 44.00 C ATOM 874 CD1 LEU A 52 5.045 -1.820 3.200 1.00 33.02 C ATOM 875 CD2 LEU A 52 3.106 -1.988 1.604 1.00 33.01 C ATOM 0 H LEU A 52 1.676 1.352 4.195 1.00 4.12 H new ATOM 0 HA LEU A 52 0.856 -1.210 2.891 1.00 54.44 H new ATOM 0 HB2 LEU A 52 3.124 -0.612 4.818 1.00 15.25 H new ATOM 0 HB3 LEU A 52 2.583 -2.225 4.398 1.00 15.25 H new ATOM 0 HG LEU A 52 3.825 -0.186 2.512 1.00 44.00 H new ATOM 0 HD11 LEU A 52 5.707 -1.816 2.334 1.00 33.02 H new ATOM 0 HD12 LEU A 52 5.486 -1.221 3.997 1.00 33.02 H new ATOM 0 HD13 LEU A 52 4.909 -2.844 3.548 1.00 33.02 H new ATOM 0 HD21 LEU A 52 3.828 -1.977 0.788 1.00 33.01 H new ATOM 0 HD22 LEU A 52 2.900 -3.019 1.892 1.00 33.01 H new ATOM 0 HD23 LEU A 52 2.182 -1.511 1.278 1.00 33.01 H new ATOM 887 N VAL A 53 -0.972 -1.225 4.624 1.00 23.33 N ATOM 888 CA VAL A 53 -2.058 -1.452 5.601 1.00 4.25 C ATOM 889 C VAL A 53 -2.105 -2.933 6.021 1.00 63.13 C ATOM 890 O VAL A 53 -2.335 -3.812 5.177 1.00 62.44 O ATOM 891 CB VAL A 53 -3.475 -1.063 5.012 1.00 71.11 C ATOM 892 CG1 VAL A 53 -4.598 -1.198 6.078 1.00 3.11 C ATOM 893 CG2 VAL A 53 -3.469 0.349 4.386 1.00 14.40 C ATOM 0 H VAL A 53 -1.270 -1.367 3.659 1.00 23.33 H new ATOM 0 HA VAL A 53 -1.842 -0.817 6.460 1.00 4.25 H new ATOM 0 HB VAL A 53 -3.691 -1.774 4.214 1.00 71.11 H new ATOM 0 HG11 VAL A 53 -5.555 -0.922 5.635 1.00 3.11 H new ATOM 0 HG12 VAL A 53 -4.644 -2.229 6.429 1.00 3.11 H new ATOM 0 HG13 VAL A 53 -4.383 -0.538 6.918 1.00 3.11 H new ATOM 0 HG21 VAL A 53 -4.460 0.577 3.994 1.00 14.40 H new ATOM 0 HG22 VAL A 53 -3.202 1.083 5.146 1.00 14.40 H new ATOM 0 HG23 VAL A 53 -2.741 0.385 3.576 1.00 14.40 H new ATOM 903 N GLY A 54 -1.890 -3.178 7.328 1.00 72.30 N ATOM 904 CA GLY A 54 -2.033 -4.501 7.940 1.00 65.21 C ATOM 905 C GLY A 54 -1.110 -5.568 7.367 1.00 53.13 C ATOM 906 O GLY A 54 -1.470 -6.751 7.333 1.00 21.02 O ATOM 0 H GLY A 54 -1.610 -2.453 7.989 1.00 72.30 H new ATOM 0 HA2 GLY A 54 -1.846 -4.414 9.010 1.00 65.21 H new ATOM 0 HA3 GLY A 54 -3.065 -4.831 7.823 1.00 65.21 H new ATOM 910 N VAL A 55 0.091 -5.155 6.926 1.00 51.52 N ATOM 911 CA VAL A 55 1.071 -6.066 6.307 1.00 24.30 C ATOM 912 C VAL A 55 1.955 -6.720 7.383 1.00 62.02 C ATOM 913 O VAL A 55 1.956 -6.292 8.546 1.00 22.24 O ATOM 914 CB VAL A 55 1.973 -5.322 5.256 1.00 32.24 C ATOM 915 CG1 VAL A 55 1.114 -4.677 4.138 1.00 45.45 C ATOM 916 CG2 VAL A 55 2.890 -4.279 5.941 1.00 10.22 C ATOM 0 H VAL A 55 0.409 -4.188 6.988 1.00 51.52 H new ATOM 0 HA VAL A 55 0.509 -6.840 5.783 1.00 24.30 H new ATOM 0 HB VAL A 55 2.618 -6.064 4.786 1.00 32.24 H new ATOM 0 HG11 VAL A 55 1.765 -4.170 3.426 1.00 45.45 H new ATOM 0 HG12 VAL A 55 0.546 -5.452 3.623 1.00 45.45 H new ATOM 0 HG13 VAL A 55 0.426 -3.955 4.578 1.00 45.45 H new ATOM 0 HG21 VAL A 55 3.501 -3.782 5.188 1.00 10.22 H new ATOM 0 HG22 VAL A 55 2.278 -3.540 6.458 1.00 10.22 H new ATOM 0 HG23 VAL A 55 3.537 -4.780 6.660 1.00 10.22 H new ATOM 926 N SER A 56 2.689 -7.764 6.987 1.00 2.23 N ATOM 927 CA SER A 56 3.707 -8.399 7.840 1.00 33.11 C ATOM 928 C SER A 56 4.974 -7.518 7.872 1.00 13.23 C ATOM 929 O SER A 56 5.265 -6.836 6.888 1.00 0.22 O ATOM 930 CB SER A 56 4.013 -9.809 7.279 1.00 35.30 C ATOM 931 OG SER A 56 2.815 -10.563 7.127 1.00 0.51 O ATOM 0 H SER A 56 2.597 -8.195 6.067 1.00 2.23 H new ATOM 0 HA SER A 56 3.344 -8.500 8.863 1.00 33.11 H new ATOM 0 HB2 SER A 56 4.517 -9.721 6.317 1.00 35.30 H new ATOM 0 HB3 SER A 56 4.695 -10.332 7.950 1.00 35.30 H new ATOM 0 HG SER A 56 3.030 -11.450 6.770 1.00 0.51 H new ATOM 937 N GLU A 57 5.715 -7.548 9.001 1.00 31.12 N ATOM 938 CA GLU A 57 6.933 -6.726 9.198 1.00 41.31 C ATOM 939 C GLU A 57 8.042 -7.129 8.208 1.00 12.22 C ATOM 940 O GLU A 57 8.777 -6.268 7.711 1.00 25.23 O ATOM 941 CB GLU A 57 7.432 -6.846 10.663 1.00 1.15 C ATOM 942 CG GLU A 57 8.717 -6.030 10.966 1.00 74.22 C ATOM 943 CD GLU A 57 9.273 -6.211 12.382 1.00 11.54 C ATOM 944 OE1 GLU A 57 9.060 -7.280 12.994 1.00 55.31 O ATOM 945 OE2 GLU A 57 9.979 -5.304 12.879 1.00 20.25 O ATOM 0 H GLU A 57 5.488 -8.140 9.800 1.00 31.12 H new ATOM 0 HA GLU A 57 6.677 -5.685 9.002 1.00 41.31 H new ATOM 0 HB2 GLU A 57 6.639 -6.516 11.333 1.00 1.15 H new ATOM 0 HB3 GLU A 57 7.621 -7.896 10.886 1.00 1.15 H new ATOM 0 HG2 GLU A 57 9.488 -6.313 10.249 1.00 74.22 H new ATOM 0 HG3 GLU A 57 8.505 -4.973 10.806 1.00 74.22 H new ATOM 952 N LYS A 58 8.124 -8.436 7.912 1.00 2.25 N ATOM 953 CA LYS A 58 9.067 -8.976 6.918 1.00 1.12 C ATOM 954 C LYS A 58 8.778 -8.395 5.518 1.00 35.23 C ATOM 955 O LYS A 58 9.702 -8.106 4.773 1.00 50.45 O ATOM 956 CB LYS A 58 8.994 -10.521 6.873 1.00 14.43 C ATOM 957 CG LYS A 58 9.478 -11.243 8.150 1.00 1.34 C ATOM 958 CD LYS A 58 10.992 -11.063 8.402 1.00 4.05 C ATOM 959 CE LYS A 58 11.489 -11.816 9.653 1.00 20.32 C ATOM 960 NZ LYS A 58 11.309 -13.288 9.545 1.00 11.31 N ATOM 0 H LYS A 58 7.541 -9.147 8.353 1.00 2.25 H new ATOM 0 HA LYS A 58 10.073 -8.682 7.219 1.00 1.12 H new ATOM 0 HB2 LYS A 58 7.962 -10.814 6.679 1.00 14.43 H new ATOM 0 HB3 LYS A 58 9.589 -10.872 6.030 1.00 14.43 H new ATOM 0 HG2 LYS A 58 8.924 -10.864 9.009 1.00 1.34 H new ATOM 0 HG3 LYS A 58 9.252 -12.306 8.069 1.00 1.34 H new ATOM 0 HD2 LYS A 58 11.544 -11.414 7.530 1.00 4.05 H new ATOM 0 HD3 LYS A 58 11.213 -10.001 8.512 1.00 4.05 H new ATOM 0 HE2 LYS A 58 12.544 -11.594 9.811 1.00 20.32 H new ATOM 0 HE3 LYS A 58 10.952 -11.452 10.529 1.00 20.32 H new ATOM 0 HZ1 LYS A 58 11.765 -13.754 10.356 1.00 11.31 H new ATOM 0 HZ2 LYS A 58 10.294 -13.514 9.541 1.00 11.31 H new ATOM 0 HZ3 LYS A 58 11.743 -13.627 8.663 1.00 11.31 H new ATOM 974 N LEU A 59 7.480 -8.236 5.188 1.00 42.14 N ATOM 975 CA LEU A 59 7.036 -7.656 3.903 1.00 42.14 C ATOM 976 C LEU A 59 7.180 -6.123 3.914 1.00 21.21 C ATOM 977 O LEU A 59 7.470 -5.521 2.886 1.00 43.31 O ATOM 978 CB LEU A 59 5.567 -8.063 3.609 1.00 45.12 C ATOM 979 CG LEU A 59 5.288 -9.596 3.503 1.00 52.21 C ATOM 980 CD1 LEU A 59 3.802 -9.860 3.178 1.00 51.53 C ATOM 981 CD2 LEU A 59 6.226 -10.266 2.471 1.00 32.12 C ATOM 0 H LEU A 59 6.712 -8.505 5.803 1.00 42.14 H new ATOM 0 HA LEU A 59 7.673 -8.049 3.111 1.00 42.14 H new ATOM 0 HB2 LEU A 59 4.933 -7.652 4.395 1.00 45.12 H new ATOM 0 HB3 LEU A 59 5.261 -7.593 2.674 1.00 45.12 H new ATOM 0 HG LEU A 59 5.501 -10.048 4.472 1.00 52.21 H new ATOM 0 HD11 LEU A 59 3.630 -10.934 3.109 1.00 51.53 H new ATOM 0 HD12 LEU A 59 3.177 -9.443 3.968 1.00 51.53 H new ATOM 0 HD13 LEU A 59 3.548 -9.390 2.228 1.00 51.53 H new ATOM 0 HD21 LEU A 59 6.008 -11.333 2.420 1.00 32.12 H new ATOM 0 HD22 LEU A 59 6.069 -9.816 1.491 1.00 32.12 H new ATOM 0 HD23 LEU A 59 7.263 -10.122 2.775 1.00 32.12 H new ATOM 993 N LEU A 60 7.005 -5.520 5.107 1.00 25.30 N ATOM 994 CA LEU A 60 7.109 -4.063 5.306 1.00 52.42 C ATOM 995 C LEU A 60 8.503 -3.560 4.908 1.00 63.44 C ATOM 996 O LEU A 60 8.644 -2.727 4.010 1.00 62.34 O ATOM 997 CB LEU A 60 6.855 -3.711 6.786 1.00 21.44 C ATOM 998 CG LEU A 60 6.950 -2.183 7.139 1.00 4.01 C ATOM 999 CD1 LEU A 60 5.582 -1.490 7.013 1.00 63.12 C ATOM 1000 CD2 LEU A 60 7.597 -1.968 8.521 1.00 4.42 C ATOM 0 H LEU A 60 6.787 -6.033 5.961 1.00 25.30 H new ATOM 0 HA LEU A 60 6.360 -3.582 4.677 1.00 52.42 H new ATOM 0 HB2 LEU A 60 5.864 -4.070 7.063 1.00 21.44 H new ATOM 0 HB3 LEU A 60 7.573 -4.254 7.400 1.00 21.44 H new ATOM 0 HG LEU A 60 7.606 -1.709 6.408 1.00 4.01 H new ATOM 0 HD11 LEU A 60 5.684 -0.434 7.264 1.00 63.12 H new ATOM 0 HD12 LEU A 60 5.218 -1.586 5.990 1.00 63.12 H new ATOM 0 HD13 LEU A 60 4.873 -1.958 7.695 1.00 63.12 H new ATOM 0 HD21 LEU A 60 7.649 -0.901 8.737 1.00 4.42 H new ATOM 0 HD22 LEU A 60 6.998 -2.464 9.284 1.00 4.42 H new ATOM 0 HD23 LEU A 60 8.603 -2.387 8.521 1.00 4.42 H new ATOM 1012 N GLN A 61 9.514 -4.128 5.590 1.00 51.13 N ATOM 1013 CA GLN A 61 10.925 -3.771 5.423 1.00 71.03 C ATOM 1014 C GLN A 61 11.431 -4.177 4.026 1.00 30.40 C ATOM 1015 O GLN A 61 12.324 -3.542 3.480 1.00 62.23 O ATOM 1016 CB GLN A 61 11.756 -4.459 6.536 1.00 44.11 C ATOM 1017 CG GLN A 61 11.326 -4.117 7.991 1.00 53.52 C ATOM 1018 CD GLN A 61 11.644 -2.677 8.438 1.00 3.30 C ATOM 1019 OE1 GLN A 61 11.706 -1.750 7.632 1.00 23.22 O ATOM 1020 NE2 GLN A 61 11.840 -2.473 9.736 1.00 4.43 N ATOM 0 H GLN A 61 9.365 -4.861 6.284 1.00 51.13 H new ATOM 0 HA GLN A 61 11.037 -2.690 5.508 1.00 71.03 H new ATOM 0 HB2 GLN A 61 11.693 -5.539 6.400 1.00 44.11 H new ATOM 0 HB3 GLN A 61 12.803 -4.183 6.409 1.00 44.11 H new ATOM 0 HG2 GLN A 61 10.253 -4.283 8.086 1.00 53.52 H new ATOM 0 HG3 GLN A 61 11.818 -4.811 8.673 1.00 53.52 H new ATOM 0 HE21 GLN A 61 11.784 -3.254 10.389 1.00 4.43 H new ATOM 0 HE22 GLN A 61 12.046 -1.535 10.079 1.00 4.43 H new ATOM 1029 N LYS A 62 10.814 -5.224 3.456 1.00 62.04 N ATOM 1030 CA LYS A 62 11.210 -5.793 2.151 1.00 73.43 C ATOM 1031 C LYS A 62 10.807 -4.863 0.993 1.00 13.30 C ATOM 1032 O LYS A 62 11.647 -4.491 0.170 1.00 42.14 O ATOM 1033 CB LYS A 62 10.588 -7.203 1.981 1.00 4.03 C ATOM 1034 CG LYS A 62 11.071 -7.981 0.743 1.00 33.52 C ATOM 1035 CD LYS A 62 10.678 -9.481 0.779 1.00 21.31 C ATOM 1036 CE LYS A 62 11.229 -10.246 -0.435 1.00 2.22 C ATOM 1037 NZ LYS A 62 11.127 -11.723 -0.283 1.00 71.33 N ATOM 0 H LYS A 62 10.023 -5.704 3.886 1.00 62.04 H new ATOM 0 HA LYS A 62 12.296 -5.886 2.127 1.00 73.43 H new ATOM 0 HB2 LYS A 62 10.810 -7.792 2.871 1.00 4.03 H new ATOM 0 HB3 LYS A 62 9.504 -7.102 1.928 1.00 4.03 H new ATOM 0 HG2 LYS A 62 10.653 -7.523 -0.153 1.00 33.52 H new ATOM 0 HG3 LYS A 62 12.155 -7.897 0.668 1.00 33.52 H new ATOM 0 HD2 LYS A 62 11.056 -9.934 1.696 1.00 21.31 H new ATOM 0 HD3 LYS A 62 9.592 -9.572 0.803 1.00 21.31 H new ATOM 0 HE2 LYS A 62 10.686 -9.939 -1.329 1.00 2.22 H new ATOM 0 HE3 LYS A 62 12.273 -9.973 -0.587 1.00 2.22 H new ATOM 0 HZ1 LYS A 62 12.070 -12.118 -0.092 1.00 71.33 H new ATOM 0 HZ2 LYS A 62 10.491 -11.947 0.508 1.00 71.33 H new ATOM 0 HZ3 LYS A 62 10.749 -12.137 -1.159 1.00 71.33 H new ATOM 1051 N ILE A 63 9.515 -4.474 0.972 1.00 44.33 N ATOM 1052 CA ILE A 63 8.973 -3.512 -0.008 1.00 72.14 C ATOM 1053 C ILE A 63 9.687 -2.138 0.151 1.00 75.44 C ATOM 1054 O ILE A 63 10.024 -1.493 -0.842 1.00 25.34 O ATOM 1055 CB ILE A 63 7.389 -3.383 0.129 1.00 74.13 C ATOM 1056 CG1 ILE A 63 6.634 -4.551 -0.608 1.00 54.31 C ATOM 1057 CG2 ILE A 63 6.858 -2.019 -0.385 1.00 15.21 C ATOM 1058 CD1 ILE A 63 6.977 -5.970 -0.173 1.00 53.12 C ATOM 0 H ILE A 63 8.819 -4.818 1.634 1.00 44.33 H new ATOM 0 HA ILE A 63 9.171 -3.881 -1.015 1.00 72.14 H new ATOM 0 HB ILE A 63 7.183 -3.451 1.197 1.00 74.13 H new ATOM 0 HG12 ILE A 63 5.563 -4.403 -0.472 1.00 54.31 H new ATOM 0 HG13 ILE A 63 6.834 -4.465 -1.676 1.00 54.31 H new ATOM 0 HG21 ILE A 63 5.775 -1.983 -0.269 1.00 15.21 H new ATOM 0 HG22 ILE A 63 7.311 -1.212 0.190 1.00 15.21 H new ATOM 0 HG23 ILE A 63 7.114 -1.902 -1.438 1.00 15.21 H new ATOM 0 HD11 ILE A 63 6.391 -6.681 -0.755 1.00 53.12 H new ATOM 0 HD12 ILE A 63 8.039 -6.154 -0.337 1.00 53.12 H new ATOM 0 HD13 ILE A 63 6.747 -6.092 0.886 1.00 53.12 H new ATOM 1070 N LYS A 64 9.950 -1.753 1.422 1.00 40.14 N ATOM 1071 CA LYS A 64 10.661 -0.513 1.780 1.00 65.35 C ATOM 1072 C LYS A 64 12.040 -0.434 1.095 1.00 14.15 C ATOM 1073 O LYS A 64 12.284 0.470 0.290 1.00 63.44 O ATOM 1074 CB LYS A 64 10.794 -0.439 3.337 1.00 50.20 C ATOM 1075 CG LYS A 64 11.698 0.686 3.897 1.00 64.25 C ATOM 1076 CD LYS A 64 11.308 2.088 3.383 1.00 12.41 C ATOM 1077 CE LYS A 64 12.313 3.169 3.793 1.00 21.12 C ATOM 1078 NZ LYS A 64 12.102 4.420 3.024 1.00 44.03 N ATOM 0 H LYS A 64 9.669 -2.304 2.233 1.00 40.14 H new ATOM 0 HA LYS A 64 10.088 0.344 1.425 1.00 65.35 H new ATOM 0 HB2 LYS A 64 9.797 -0.318 3.760 1.00 50.20 H new ATOM 0 HB3 LYS A 64 11.178 -1.395 3.693 1.00 50.20 H new ATOM 0 HG2 LYS A 64 11.646 0.677 4.986 1.00 64.25 H new ATOM 0 HG3 LYS A 64 12.734 0.481 3.625 1.00 64.25 H new ATOM 0 HD2 LYS A 64 11.231 2.063 2.296 1.00 12.41 H new ATOM 0 HD3 LYS A 64 10.322 2.350 3.767 1.00 12.41 H new ATOM 0 HE2 LYS A 64 12.215 3.374 4.859 1.00 21.12 H new ATOM 0 HE3 LYS A 64 13.328 2.806 3.630 1.00 21.12 H new ATOM 0 HZ1 LYS A 64 12.994 4.703 2.570 1.00 44.03 H new ATOM 0 HZ2 LYS A 64 11.377 4.261 2.295 1.00 44.03 H new ATOM 0 HZ3 LYS A 64 11.787 5.174 3.667 1.00 44.03 H new ATOM 1092 N GLN A 65 12.903 -1.405 1.408 1.00 3.44 N ATOM 1093 CA GLN A 65 14.309 -1.399 0.972 1.00 2.33 C ATOM 1094 C GLN A 65 14.441 -1.634 -0.549 1.00 61.11 C ATOM 1095 O GLN A 65 15.134 -0.876 -1.236 1.00 72.24 O ATOM 1096 CB GLN A 65 15.106 -2.449 1.786 1.00 64.41 C ATOM 1097 CG GLN A 65 15.140 -2.160 3.304 1.00 25.12 C ATOM 1098 CD GLN A 65 15.818 -3.263 4.120 1.00 45.33 C ATOM 1099 OE1 GLN A 65 17.023 -3.224 4.376 1.00 24.33 O ATOM 1100 NE2 GLN A 65 15.050 -4.266 4.512 1.00 1.31 N ATOM 0 H GLN A 65 12.650 -2.218 1.970 1.00 3.44 H new ATOM 0 HA GLN A 65 14.729 -0.412 1.165 1.00 2.33 H new ATOM 0 HB2 GLN A 65 14.667 -3.433 1.622 1.00 64.41 H new ATOM 0 HB3 GLN A 65 16.128 -2.489 1.409 1.00 64.41 H new ATOM 0 HG2 GLN A 65 15.663 -1.219 3.475 1.00 25.12 H new ATOM 0 HG3 GLN A 65 14.120 -2.028 3.664 1.00 25.12 H new ATOM 0 HE21 GLN A 65 14.056 -4.267 4.283 1.00 1.31 H new ATOM 0 HE22 GLN A 65 15.452 -5.039 5.043 1.00 1.31 H new ATOM 1109 N GLU A 66 13.735 -2.655 -1.072 1.00 32.24 N ATOM 1110 CA GLU A 66 13.893 -3.082 -2.480 1.00 64.43 C ATOM 1111 C GLU A 66 13.265 -2.079 -3.469 1.00 25.03 C ATOM 1112 O GLU A 66 13.867 -1.792 -4.513 1.00 63.12 O ATOM 1113 CB GLU A 66 13.331 -4.508 -2.697 1.00 3.50 C ATOM 1114 CG GLU A 66 14.051 -5.597 -1.869 1.00 4.33 C ATOM 1115 CD GLU A 66 13.670 -7.022 -2.290 1.00 23.34 C ATOM 1116 OE1 GLU A 66 12.508 -7.402 -2.119 1.00 33.25 O ATOM 1117 OE2 GLU A 66 14.536 -7.768 -2.799 1.00 10.21 O ATOM 0 H GLU A 66 13.052 -3.199 -0.545 1.00 32.24 H new ATOM 0 HA GLU A 66 14.963 -3.104 -2.687 1.00 64.43 H new ATOM 0 HB2 GLU A 66 12.271 -4.513 -2.442 1.00 3.50 H new ATOM 0 HB3 GLU A 66 13.406 -4.761 -3.755 1.00 3.50 H new ATOM 0 HG2 GLU A 66 15.129 -5.470 -1.972 1.00 4.33 H new ATOM 0 HG3 GLU A 66 13.813 -5.460 -0.814 1.00 4.33 H new ATOM 1124 N ALA A 67 12.069 -1.543 -3.150 1.00 41.32 N ATOM 1125 CA ALA A 67 11.417 -0.530 -4.011 1.00 64.41 C ATOM 1126 C ALA A 67 12.052 0.864 -3.812 1.00 72.33 C ATOM 1127 O ALA A 67 11.977 1.704 -4.721 1.00 3.24 O ATOM 1128 CB ALA A 67 9.903 -0.491 -3.782 1.00 74.24 C ATOM 0 H ALA A 67 11.539 -1.789 -2.314 1.00 41.32 H new ATOM 0 HA ALA A 67 11.582 -0.824 -5.048 1.00 64.41 H new ATOM 0 HB1 ALA A 67 9.456 0.263 -4.430 1.00 74.24 H new ATOM 0 HB2 ALA A 67 9.475 -1.467 -4.012 1.00 74.24 H new ATOM 0 HB3 ALA A 67 9.699 -0.242 -2.741 1.00 74.24 H new ATOM 1134 N ASN A 68 12.676 1.079 -2.622 1.00 22.24 N ATOM 1135 CA ASN A 68 13.354 2.346 -2.244 1.00 4.42 C ATOM 1136 C ASN A 68 12.356 3.522 -2.258 1.00 2.24 C ATOM 1137 O ASN A 68 12.496 4.491 -3.017 1.00 23.15 O ATOM 1138 CB ASN A 68 14.611 2.606 -3.135 1.00 43.42 C ATOM 1139 CG ASN A 68 15.444 3.850 -2.763 1.00 53.45 C ATOM 1140 OD1 ASN A 68 16.012 4.512 -3.640 1.00 63.21 O ATOM 1141 ND2 ASN A 68 15.555 4.168 -1.480 1.00 71.51 N ATOM 0 H ASN A 68 12.722 0.368 -1.892 1.00 22.24 H new ATOM 0 HA ASN A 68 13.720 2.253 -1.222 1.00 4.42 H new ATOM 0 HB2 ASN A 68 15.257 1.730 -3.085 1.00 43.42 H new ATOM 0 HB3 ASN A 68 14.286 2.704 -4.171 1.00 43.42 H new ATOM 0 HD21 ASN A 68 16.117 4.972 -1.201 1.00 71.51 H new ATOM 0 HD22 ASN A 68 15.078 3.609 -0.773 1.00 71.51 H new ATOM 1148 N VAL A 69 11.306 3.393 -1.425 1.00 72.20 N ATOM 1149 CA VAL A 69 10.176 4.357 -1.377 1.00 21.21 C ATOM 1150 C VAL A 69 9.730 4.635 0.061 1.00 63.12 C ATOM 1151 O VAL A 69 10.104 3.910 0.991 1.00 72.43 O ATOM 1152 CB VAL A 69 8.947 3.846 -2.218 1.00 14.51 C ATOM 1153 CG1 VAL A 69 9.279 3.820 -3.726 1.00 51.03 C ATOM 1154 CG2 VAL A 69 8.467 2.456 -1.721 1.00 20.13 C ATOM 0 H VAL A 69 11.212 2.621 -0.765 1.00 72.20 H new ATOM 0 HA VAL A 69 10.542 5.286 -1.814 1.00 21.21 H new ATOM 0 HB VAL A 69 8.127 4.549 -2.072 1.00 14.51 H new ATOM 0 HG11 VAL A 69 8.413 3.463 -4.283 1.00 51.03 H new ATOM 0 HG12 VAL A 69 9.536 4.825 -4.059 1.00 51.03 H new ATOM 0 HG13 VAL A 69 10.123 3.153 -3.901 1.00 51.03 H new ATOM 0 HG21 VAL A 69 7.617 2.129 -2.320 1.00 20.13 H new ATOM 0 HG22 VAL A 69 9.279 1.735 -1.818 1.00 20.13 H new ATOM 0 HG23 VAL A 69 8.167 2.527 -0.675 1.00 20.13 H new ATOM 1164 N GLN A 70 8.938 5.708 0.220 1.00 25.34 N ATOM 1165 CA GLN A 70 8.385 6.118 1.511 1.00 61.05 C ATOM 1166 C GLN A 70 7.188 5.237 1.879 1.00 42.53 C ATOM 1167 O GLN A 70 6.154 5.270 1.214 1.00 13.01 O ATOM 1168 CB GLN A 70 7.974 7.611 1.460 1.00 65.31 C ATOM 1169 CG GLN A 70 9.151 8.574 1.219 1.00 23.32 C ATOM 1170 CD GLN A 70 10.239 8.474 2.293 1.00 40.42 C ATOM 1171 OE1 GLN A 70 11.195 7.690 2.182 1.00 23.13 O ATOM 1172 NE2 GLN A 70 10.106 9.252 3.350 1.00 73.22 N ATOM 0 H GLN A 70 8.665 6.316 -0.552 1.00 25.34 H new ATOM 0 HA GLN A 70 9.147 5.995 2.280 1.00 61.05 H new ATOM 0 HB2 GLN A 70 7.237 7.748 0.669 1.00 65.31 H new ATOM 0 HB3 GLN A 70 7.487 7.876 2.398 1.00 65.31 H new ATOM 0 HG2 GLN A 70 9.591 8.364 0.244 1.00 23.32 H new ATOM 0 HG3 GLN A 70 8.775 9.597 1.185 1.00 23.32 H new ATOM 0 HE21 GLN A 70 9.312 9.888 3.418 1.00 73.22 H new ATOM 0 HE22 GLN A 70 10.798 9.217 4.099 1.00 73.22 H new ATOM 1181 N VAL A 71 7.353 4.454 2.950 1.00 53.42 N ATOM 1182 CA VAL A 71 6.343 3.503 3.426 1.00 73.32 C ATOM 1183 C VAL A 71 5.537 4.115 4.580 1.00 51.23 C ATOM 1184 O VAL A 71 6.113 4.631 5.546 1.00 45.20 O ATOM 1185 CB VAL A 71 7.024 2.156 3.866 1.00 72.34 C ATOM 1186 CG1 VAL A 71 6.068 1.269 4.697 1.00 42.02 C ATOM 1187 CG2 VAL A 71 7.547 1.402 2.616 1.00 14.31 C ATOM 0 H VAL A 71 8.201 4.463 3.517 1.00 53.42 H new ATOM 0 HA VAL A 71 5.655 3.283 2.610 1.00 73.32 H new ATOM 0 HB VAL A 71 7.867 2.396 4.514 1.00 72.34 H new ATOM 0 HG11 VAL A 71 6.579 0.349 4.980 1.00 42.02 H new ATOM 0 HG12 VAL A 71 5.763 1.805 5.595 1.00 42.02 H new ATOM 0 HG13 VAL A 71 5.187 1.027 4.102 1.00 42.02 H new ATOM 0 HG21 VAL A 71 8.018 0.469 2.925 1.00 14.31 H new ATOM 0 HG22 VAL A 71 6.714 1.184 1.948 1.00 14.31 H new ATOM 0 HG23 VAL A 71 8.277 2.022 2.096 1.00 14.31 H new ATOM 1197 N TYR A 72 4.198 4.069 4.452 1.00 72.24 N ATOM 1198 CA TYR A 72 3.266 4.552 5.478 1.00 30.31 C ATOM 1199 C TYR A 72 2.592 3.332 6.111 1.00 23.42 C ATOM 1200 O TYR A 72 1.662 2.757 5.545 1.00 31.35 O ATOM 1201 CB TYR A 72 2.236 5.511 4.830 1.00 71.04 C ATOM 1202 CG TYR A 72 2.894 6.751 4.204 1.00 2.52 C ATOM 1203 CD1 TYR A 72 3.501 6.697 2.940 1.00 12.15 C ATOM 1204 CD2 TYR A 72 2.948 7.963 4.897 1.00 3.11 C ATOM 1205 CE1 TYR A 72 4.119 7.799 2.396 1.00 11.35 C ATOM 1206 CE2 TYR A 72 3.569 9.067 4.349 1.00 52.24 C ATOM 1207 CZ TYR A 72 4.157 8.976 3.101 1.00 31.35 C ATOM 1208 OH TYR A 72 4.802 10.065 2.563 1.00 13.32 O ATOM 0 H TYR A 72 3.733 3.692 3.626 1.00 72.24 H new ATOM 0 HA TYR A 72 3.785 5.112 6.255 1.00 30.31 H new ATOM 0 HB2 TYR A 72 1.678 4.974 4.063 1.00 71.04 H new ATOM 0 HB3 TYR A 72 1.516 5.828 5.584 1.00 71.04 H new ATOM 0 HD1 TYR A 72 3.483 5.772 2.383 1.00 12.15 H new ATOM 0 HD2 TYR A 72 2.497 8.037 5.876 1.00 3.11 H new ATOM 0 HE1 TYR A 72 4.573 7.738 1.418 1.00 11.35 H new ATOM 0 HE2 TYR A 72 3.596 9.999 4.893 1.00 52.24 H new ATOM 0 HH TYR A 72 4.740 10.821 3.183 1.00 13.32 H new ATOM 1218 N ARG A 73 3.092 2.941 7.282 1.00 43.35 N ATOM 1219 CA ARG A 73 2.669 1.716 7.966 1.00 54.13 C ATOM 1220 C ARG A 73 1.360 1.990 8.714 1.00 2.54 C ATOM 1221 O ARG A 73 1.357 2.658 9.750 1.00 0.12 O ATOM 1222 CB ARG A 73 3.787 1.278 8.938 1.00 54.04 C ATOM 1223 CG ARG A 73 3.527 -0.054 9.668 1.00 34.20 C ATOM 1224 CD ARG A 73 4.702 -0.451 10.569 1.00 23.43 C ATOM 1225 NE ARG A 73 4.586 -1.830 11.065 1.00 2.32 N ATOM 1226 CZ ARG A 73 5.470 -2.424 11.880 1.00 0.03 C ATOM 1227 NH1 ARG A 73 6.543 -1.769 12.310 1.00 21.23 N ATOM 1228 NH2 ARG A 73 5.279 -3.680 12.253 1.00 1.33 N ATOM 0 H ARG A 73 3.806 3.466 7.787 1.00 43.35 H new ATOM 0 HA ARG A 73 2.495 0.912 7.251 1.00 54.13 H new ATOM 0 HB2 ARG A 73 4.720 1.194 8.381 1.00 54.04 H new ATOM 0 HB3 ARG A 73 3.929 2.062 9.682 1.00 54.04 H new ATOM 0 HG2 ARG A 73 2.622 0.032 10.269 1.00 34.20 H new ATOM 0 HG3 ARG A 73 3.349 -0.841 8.935 1.00 34.20 H new ATOM 0 HD2 ARG A 73 5.634 -0.344 10.014 1.00 23.43 H new ATOM 0 HD3 ARG A 73 4.755 0.234 11.416 1.00 23.43 H new ATOM 0 HE ARG A 73 3.776 -2.374 10.768 1.00 2.32 H new ATOM 0 HH11 ARG A 73 6.701 -0.804 12.021 1.00 21.23 H new ATOM 0 HH12 ARG A 73 7.208 -2.231 12.930 1.00 21.23 H new ATOM 0 HH21 ARG A 73 4.462 -4.192 11.921 1.00 1.33 H new ATOM 0 HH22 ARG A 73 5.949 -4.135 12.873 1.00 1.33 H new ATOM 1242 N VAL A 74 0.255 1.479 8.162 1.00 72.54 N ATOM 1243 CA VAL A 74 -1.099 1.726 8.684 1.00 25.43 C ATOM 1244 C VAL A 74 -1.658 0.480 9.383 1.00 14.31 C ATOM 1245 O VAL A 74 -1.582 -0.628 8.857 1.00 21.13 O ATOM 1246 CB VAL A 74 -2.032 2.203 7.513 1.00 64.44 C ATOM 1247 CG1 VAL A 74 -3.529 2.169 7.896 1.00 75.13 C ATOM 1248 CG2 VAL A 74 -1.605 3.619 7.052 1.00 1.04 C ATOM 0 H VAL A 74 0.271 0.879 7.337 1.00 72.54 H new ATOM 0 HA VAL A 74 -1.054 2.515 9.435 1.00 25.43 H new ATOM 0 HB VAL A 74 -1.914 1.503 6.686 1.00 64.44 H new ATOM 0 HG11 VAL A 74 -4.128 2.508 7.051 1.00 75.13 H new ATOM 0 HG12 VAL A 74 -3.815 1.150 8.158 1.00 75.13 H new ATOM 0 HG13 VAL A 74 -3.701 2.825 8.750 1.00 75.13 H new ATOM 0 HG21 VAL A 74 -2.253 3.948 6.240 1.00 1.04 H new ATOM 0 HG22 VAL A 74 -1.689 4.314 7.887 1.00 1.04 H new ATOM 0 HG23 VAL A 74 -0.572 3.592 6.704 1.00 1.04 H new ATOM 1258 N THR A 75 -2.192 0.688 10.605 1.00 34.34 N ATOM 1259 CA THR A 75 -2.827 -0.365 11.421 1.00 14.14 C ATOM 1260 C THR A 75 -4.290 0.006 11.782 1.00 72.11 C ATOM 1261 O THR A 75 -5.026 -0.822 12.330 1.00 23.33 O ATOM 1262 CB THR A 75 -1.990 -0.627 12.719 1.00 12.52 C ATOM 1263 OG1 THR A 75 -1.857 0.592 13.470 1.00 73.14 O ATOM 1264 CG2 THR A 75 -0.583 -1.176 12.401 1.00 72.11 C ATOM 0 H THR A 75 -2.194 1.603 11.057 1.00 34.34 H new ATOM 0 HA THR A 75 -2.852 -1.280 10.829 1.00 14.14 H new ATOM 0 HB THR A 75 -2.525 -1.377 13.302 1.00 12.52 H new ATOM 0 HG1 THR A 75 -1.334 0.421 14.281 1.00 73.14 H new ATOM 0 HG21 THR A 75 -0.039 -1.343 13.331 1.00 72.11 H new ATOM 0 HG22 THR A 75 -0.674 -2.118 11.860 1.00 72.11 H new ATOM 0 HG23 THR A 75 -0.041 -0.456 11.788 1.00 72.11 H new ATOM 1272 N SER A 76 -4.709 1.247 11.450 1.00 4.12 N ATOM 1273 CA SER A 76 -6.084 1.750 11.705 1.00 4.14 C ATOM 1274 C SER A 76 -6.583 2.523 10.471 1.00 4.44 C ATOM 1275 O SER A 76 -5.768 3.134 9.776 1.00 31.44 O ATOM 1276 CB SER A 76 -6.102 2.668 12.956 1.00 24.23 C ATOM 1277 OG SER A 76 -7.417 3.138 13.237 1.00 20.43 O ATOM 0 H SER A 76 -4.105 1.932 10.997 1.00 4.12 H new ATOM 0 HA SER A 76 -6.745 0.903 11.892 1.00 4.14 H new ATOM 0 HB2 SER A 76 -5.718 2.120 13.817 1.00 24.23 H new ATOM 0 HB3 SER A 76 -5.437 3.517 12.796 1.00 24.23 H new ATOM 0 HG SER A 76 -7.397 3.712 14.031 1.00 20.43 H new ATOM 1283 N ASN A 77 -7.920 2.502 10.223 1.00 34.12 N ATOM 1284 CA ASN A 77 -8.550 3.213 9.074 1.00 71.52 C ATOM 1285 C ASN A 77 -8.133 4.690 9.045 1.00 11.50 C ATOM 1286 O ASN A 77 -7.735 5.203 8.000 1.00 64.22 O ATOM 1287 CB ASN A 77 -10.105 3.118 9.109 1.00 60.12 C ATOM 1288 CG ASN A 77 -10.639 1.698 8.925 1.00 44.41 C ATOM 1289 OD1 ASN A 77 -10.788 0.943 9.888 1.00 62.30 O ATOM 1290 ND2 ASN A 77 -10.932 1.318 7.689 1.00 11.44 N ATOM 0 H ASN A 77 -8.587 1.997 10.807 1.00 34.12 H new ATOM 0 HA ASN A 77 -8.196 2.718 8.170 1.00 71.52 H new ATOM 0 HB2 ASN A 77 -10.463 3.510 10.061 1.00 60.12 H new ATOM 0 HB3 ASN A 77 -10.517 3.756 8.327 1.00 60.12 H new ATOM 0 HD21 ASN A 77 -11.291 0.379 7.516 1.00 11.44 H new ATOM 0 HD22 ASN A 77 -10.798 1.965 6.911 1.00 11.44 H new ATOM 1297 N ASP A 78 -8.169 5.320 10.234 1.00 61.54 N ATOM 1298 CA ASP A 78 -7.895 6.755 10.423 1.00 52.14 C ATOM 1299 C ASP A 78 -6.502 7.164 9.912 1.00 23.11 C ATOM 1300 O ASP A 78 -6.341 8.273 9.389 1.00 62.15 O ATOM 1301 CB ASP A 78 -8.047 7.105 11.920 1.00 64.34 C ATOM 1302 CG ASP A 78 -9.498 7.016 12.401 1.00 71.14 C ATOM 1303 OD1 ASP A 78 -9.971 5.896 12.721 1.00 55.43 O ATOM 1304 OD2 ASP A 78 -10.183 8.059 12.431 1.00 22.33 O ATOM 0 H ASP A 78 -8.393 4.837 11.104 1.00 61.54 H new ATOM 0 HA ASP A 78 -8.618 7.316 9.831 1.00 52.14 H new ATOM 0 HB2 ASP A 78 -7.430 6.429 12.512 1.00 64.34 H new ATOM 0 HB3 ASP A 78 -7.672 8.114 12.093 1.00 64.34 H new ATOM 1309 N GLU A 79 -5.512 6.257 10.048 1.00 54.33 N ATOM 1310 CA GLU A 79 -4.128 6.510 9.599 1.00 63.13 C ATOM 1311 C GLU A 79 -4.080 6.628 8.073 1.00 24.30 C ATOM 1312 O GLU A 79 -3.551 7.602 7.537 1.00 64.21 O ATOM 1313 CB GLU A 79 -3.178 5.393 10.093 1.00 43.23 C ATOM 1314 CG GLU A 79 -3.280 5.111 11.605 1.00 63.20 C ATOM 1315 CD GLU A 79 -3.203 6.384 12.473 1.00 60.13 C ATOM 1316 OE1 GLU A 79 -2.129 7.029 12.520 1.00 20.42 O ATOM 1317 OE2 GLU A 79 -4.214 6.745 13.119 1.00 60.45 O ATOM 0 H GLU A 79 -5.648 5.337 10.468 1.00 54.33 H new ATOM 0 HA GLU A 79 -3.791 7.453 10.030 1.00 63.13 H new ATOM 0 HB2 GLU A 79 -3.396 4.476 9.547 1.00 43.23 H new ATOM 0 HB3 GLU A 79 -2.151 5.670 9.853 1.00 43.23 H new ATOM 0 HG2 GLU A 79 -4.220 4.598 11.809 1.00 63.20 H new ATOM 0 HG3 GLU A 79 -2.477 4.433 11.895 1.00 63.20 H new ATOM 1324 N LEU A 80 -4.715 5.642 7.406 1.00 55.22 N ATOM 1325 CA LEU A 80 -4.845 5.586 5.937 1.00 31.44 C ATOM 1326 C LEU A 80 -5.555 6.851 5.423 1.00 41.54 C ATOM 1327 O LEU A 80 -5.114 7.461 4.444 1.00 62.40 O ATOM 1328 CB LEU A 80 -5.627 4.286 5.556 1.00 44.21 C ATOM 1329 CG LEU A 80 -5.930 3.998 4.039 1.00 24.51 C ATOM 1330 CD1 LEU A 80 -7.224 4.678 3.549 1.00 45.44 C ATOM 1331 CD2 LEU A 80 -4.733 4.379 3.142 1.00 42.01 C ATOM 0 H LEU A 80 -5.157 4.854 7.879 1.00 55.22 H new ATOM 0 HA LEU A 80 -3.862 5.554 5.467 1.00 31.44 H new ATOM 0 HB2 LEU A 80 -5.066 3.437 5.947 1.00 44.21 H new ATOM 0 HB3 LEU A 80 -6.580 4.308 6.084 1.00 44.21 H new ATOM 0 HG LEU A 80 -6.089 2.923 3.959 1.00 24.51 H new ATOM 0 HD11 LEU A 80 -7.382 4.444 2.496 1.00 45.44 H new ATOM 0 HD12 LEU A 80 -8.070 4.314 4.132 1.00 45.44 H new ATOM 0 HD13 LEU A 80 -7.137 5.758 3.672 1.00 45.44 H new ATOM 0 HD21 LEU A 80 -4.977 4.167 2.101 1.00 42.01 H new ATOM 0 HD22 LEU A 80 -4.517 5.441 3.255 1.00 42.01 H new ATOM 0 HD23 LEU A 80 -3.859 3.798 3.436 1.00 42.01 H new ATOM 1343 N GLU A 81 -6.632 7.232 6.139 1.00 1.42 N ATOM 1344 CA GLU A 81 -7.476 8.387 5.809 1.00 31.42 C ATOM 1345 C GLU A 81 -6.647 9.682 5.746 1.00 12.55 C ATOM 1346 O GLU A 81 -6.830 10.482 4.830 1.00 75.33 O ATOM 1347 CB GLU A 81 -8.641 8.487 6.840 1.00 63.45 C ATOM 1348 CG GLU A 81 -9.691 7.355 6.707 1.00 70.41 C ATOM 1349 CD GLU A 81 -10.815 7.402 7.755 1.00 22.01 C ATOM 1350 OE1 GLU A 81 -11.562 8.409 7.793 1.00 25.51 O ATOM 1351 OE2 GLU A 81 -10.964 6.443 8.544 1.00 64.34 O ATOM 0 H GLU A 81 -6.940 6.735 6.975 1.00 1.42 H new ATOM 0 HA GLU A 81 -7.906 8.247 4.817 1.00 31.42 H new ATOM 0 HB2 GLU A 81 -8.225 8.468 7.847 1.00 63.45 H new ATOM 0 HB3 GLU A 81 -9.140 9.449 6.719 1.00 63.45 H new ATOM 0 HG2 GLU A 81 -10.136 7.404 5.713 1.00 70.41 H new ATOM 0 HG3 GLU A 81 -9.182 6.394 6.781 1.00 70.41 H new ATOM 1358 N GLN A 82 -5.705 9.838 6.693 1.00 62.11 N ATOM 1359 CA GLN A 82 -4.826 11.022 6.768 1.00 4.20 C ATOM 1360 C GLN A 82 -3.745 11.012 5.673 1.00 44.14 C ATOM 1361 O GLN A 82 -3.410 12.068 5.131 1.00 62.35 O ATOM 1362 CB GLN A 82 -4.191 11.143 8.178 1.00 42.52 C ATOM 1363 CG GLN A 82 -5.224 11.322 9.311 1.00 75.21 C ATOM 1364 CD GLN A 82 -6.144 12.530 9.106 1.00 65.43 C ATOM 1365 OE1 GLN A 82 -5.852 13.640 9.548 1.00 11.45 O ATOM 1366 NE2 GLN A 82 -7.260 12.320 8.427 1.00 1.23 N ATOM 0 H GLN A 82 -5.531 9.150 7.426 1.00 62.11 H new ATOM 0 HA GLN A 82 -5.447 11.900 6.592 1.00 4.20 H new ATOM 0 HB2 GLN A 82 -3.598 10.251 8.377 1.00 42.52 H new ATOM 0 HB3 GLN A 82 -3.505 11.990 8.186 1.00 42.52 H new ATOM 0 HG2 GLN A 82 -5.831 10.420 9.386 1.00 75.21 H new ATOM 0 HG3 GLN A 82 -4.698 11.431 10.259 1.00 75.21 H new ATOM 0 HE21 GLN A 82 -7.474 11.388 8.073 1.00 1.23 H new ATOM 0 HE22 GLN A 82 -7.906 13.091 8.257 1.00 1.23 H new ATOM 1375 N VAL A 83 -3.214 9.814 5.351 1.00 4.31 N ATOM 1376 CA VAL A 83 -2.194 9.657 4.294 1.00 13.43 C ATOM 1377 C VAL A 83 -2.776 10.003 2.907 1.00 71.13 C ATOM 1378 O VAL A 83 -2.081 10.585 2.060 1.00 14.31 O ATOM 1379 CB VAL A 83 -1.588 8.211 4.291 1.00 72.34 C ATOM 1380 CG1 VAL A 83 -0.506 8.043 3.201 1.00 12.54 C ATOM 1381 CG2 VAL A 83 -1.008 7.862 5.676 1.00 71.32 C ATOM 0 H VAL A 83 -3.475 8.941 5.809 1.00 4.31 H new ATOM 0 HA VAL A 83 -1.388 10.357 4.513 1.00 13.43 H new ATOM 0 HB VAL A 83 -2.400 7.520 4.062 1.00 72.34 H new ATOM 0 HG11 VAL A 83 -0.112 7.027 3.233 1.00 12.54 H new ATOM 0 HG12 VAL A 83 -0.944 8.231 2.221 1.00 12.54 H new ATOM 0 HG13 VAL A 83 0.303 8.752 3.379 1.00 12.54 H new ATOM 0 HG21 VAL A 83 -0.592 6.855 5.653 1.00 71.32 H new ATOM 0 HG22 VAL A 83 -0.222 8.573 5.931 1.00 71.32 H new ATOM 0 HG23 VAL A 83 -1.799 7.911 6.425 1.00 71.32 H new ATOM 1391 N VAL A 84 -4.063 9.655 2.693 1.00 61.42 N ATOM 1392 CA VAL A 84 -4.771 9.986 1.446 1.00 5.05 C ATOM 1393 C VAL A 84 -4.899 11.507 1.285 1.00 4.11 C ATOM 1394 O VAL A 84 -4.615 12.040 0.214 1.00 32.03 O ATOM 1395 CB VAL A 84 -6.186 9.313 1.355 1.00 25.15 C ATOM 1396 CG1 VAL A 84 -6.931 9.764 0.073 1.00 41.43 C ATOM 1397 CG2 VAL A 84 -6.071 7.772 1.402 1.00 34.15 C ATOM 0 H VAL A 84 -4.630 9.145 3.370 1.00 61.42 H new ATOM 0 HA VAL A 84 -4.170 9.584 0.630 1.00 5.05 H new ATOM 0 HB VAL A 84 -6.765 9.637 2.219 1.00 25.15 H new ATOM 0 HG11 VAL A 84 -7.909 9.284 0.033 1.00 41.43 H new ATOM 0 HG12 VAL A 84 -7.058 10.846 0.088 1.00 41.43 H new ATOM 0 HG13 VAL A 84 -6.351 9.479 -0.804 1.00 41.43 H new ATOM 0 HG21 VAL A 84 -7.066 7.331 1.337 1.00 34.15 H new ATOM 0 HG22 VAL A 84 -5.466 7.427 0.564 1.00 34.15 H new ATOM 0 HG23 VAL A 84 -5.601 7.471 2.338 1.00 34.15 H new ATOM 1407 N LYS A 85 -5.291 12.185 2.379 1.00 70.50 N ATOM 1408 CA LYS A 85 -5.481 13.650 2.394 1.00 64.52 C ATOM 1409 C LYS A 85 -4.145 14.407 2.223 1.00 43.33 C ATOM 1410 O LYS A 85 -4.139 15.549 1.759 1.00 64.33 O ATOM 1411 CB LYS A 85 -6.188 14.093 3.698 1.00 34.13 C ATOM 1412 CG LYS A 85 -7.565 13.425 3.930 1.00 74.04 C ATOM 1413 CD LYS A 85 -8.288 13.960 5.182 1.00 35.24 C ATOM 1414 CE LYS A 85 -8.719 15.424 5.021 1.00 42.34 C ATOM 1415 NZ LYS A 85 -9.613 15.611 3.847 1.00 4.32 N ATOM 0 H LYS A 85 -5.485 11.737 3.275 1.00 70.50 H new ATOM 0 HA LYS A 85 -6.114 13.904 1.543 1.00 64.52 H new ATOM 0 HB2 LYS A 85 -5.540 13.867 4.545 1.00 34.13 H new ATOM 0 HB3 LYS A 85 -6.320 15.175 3.677 1.00 34.13 H new ATOM 0 HG2 LYS A 85 -8.195 13.589 3.055 1.00 74.04 H new ATOM 0 HG3 LYS A 85 -7.429 12.348 4.028 1.00 74.04 H new ATOM 0 HD2 LYS A 85 -9.165 13.345 5.384 1.00 35.24 H new ATOM 0 HD3 LYS A 85 -7.630 13.870 6.046 1.00 35.24 H new ATOM 0 HE2 LYS A 85 -9.232 15.753 5.925 1.00 42.34 H new ATOM 0 HE3 LYS A 85 -7.836 16.053 4.909 1.00 42.34 H new ATOM 0 HZ1 LYS A 85 -10.083 16.537 3.912 1.00 4.32 H new ATOM 0 HZ2 LYS A 85 -9.051 15.568 2.973 1.00 4.32 H new ATOM 0 HZ3 LYS A 85 -10.331 14.859 3.834 1.00 4.32 H new ATOM 1429 N ASP A 86 -3.027 13.753 2.603 1.00 33.45 N ATOM 1430 CA ASP A 86 -1.662 14.294 2.419 1.00 14.22 C ATOM 1431 C ASP A 86 -1.364 14.536 0.925 1.00 42.13 C ATOM 1432 O ASP A 86 -0.807 15.566 0.555 1.00 43.45 O ATOM 1433 CB ASP A 86 -0.615 13.325 3.036 1.00 34.13 C ATOM 1434 CG ASP A 86 0.837 13.823 2.901 1.00 75.54 C ATOM 1435 OD1 ASP A 86 1.287 14.599 3.770 1.00 11.05 O ATOM 1436 OD2 ASP A 86 1.542 13.443 1.931 1.00 3.30 O ATOM 0 H ASP A 86 -3.045 12.835 3.046 1.00 33.45 H new ATOM 0 HA ASP A 86 -1.598 15.252 2.934 1.00 14.22 H new ATOM 0 HB2 ASP A 86 -0.844 13.179 4.092 1.00 34.13 H new ATOM 0 HB3 ASP A 86 -0.703 12.352 2.553 1.00 34.13 H new ATOM 1441 N VAL A 87 -1.755 13.571 0.083 1.00 63.12 N ATOM 1442 CA VAL A 87 -1.566 13.648 -1.378 1.00 51.51 C ATOM 1443 C VAL A 87 -2.716 14.440 -2.031 1.00 72.31 C ATOM 1444 O VAL A 87 -2.505 15.216 -2.971 1.00 0.02 O ATOM 1445 CB VAL A 87 -1.463 12.203 -1.993 1.00 54.33 C ATOM 1446 CG1 VAL A 87 -1.259 12.234 -3.528 1.00 32.22 C ATOM 1447 CG2 VAL A 87 -0.330 11.406 -1.301 1.00 72.43 C ATOM 0 H VAL A 87 -2.212 12.713 0.392 1.00 63.12 H new ATOM 0 HA VAL A 87 -0.633 14.174 -1.581 1.00 51.51 H new ATOM 0 HB VAL A 87 -2.412 11.699 -1.810 1.00 54.33 H new ATOM 0 HG11 VAL A 87 -1.194 11.214 -3.907 1.00 32.22 H new ATOM 0 HG12 VAL A 87 -2.102 12.742 -3.997 1.00 32.22 H new ATOM 0 HG13 VAL A 87 -0.338 12.768 -3.762 1.00 32.22 H new ATOM 0 HG21 VAL A 87 -0.269 10.408 -1.736 1.00 72.43 H new ATOM 0 HG22 VAL A 87 0.619 11.923 -1.445 1.00 72.43 H new ATOM 0 HG23 VAL A 87 -0.541 11.325 -0.235 1.00 72.43 H new