USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 780 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 96 LYS NZ :NH3+ -144:sc= 1.05 (180deg=-0.179) USER MOD Set 1.2: A 97 GLN : amide:sc= -5.55! C(o=-4.5!,f=-14!) USER MOD Set 2.1: A 4 GLN : amide:sc= -5.44! C(o=-8.2!,f=-26!) USER MOD Set 2.2: A 26 TYR OH : rot -160:sc= -2.01! USER MOD Set 2.3: A 54 LYS NZ :NH3+ 159:sc= -0.709 (180deg=-0.62) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0383 USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= -0.0244 (180deg=-0.227) USER MOD Single : A 7 THR OG1 : rot -64:sc= -0.105 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.41) USER MOD Single : A 19 LYS NZ :NH3+ 172:sc=-0.000238 (180deg=-0.0951) USER MOD Single : A 28 THR OG1 : rot -150:sc= -1.57 USER MOD Single : A 30 CYS SG : rot 91:sc= -1.71 USER MOD Single : A 33 CYS SG : rot 150:sc= -3.44 USER MOD Single : A 34 LYS NZ :NH3+ -167:sc= -0.0307 (180deg=-0.262) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -128:sc= -11.8! (180deg=-19.4!) USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0179) USER MOD Single : A 44 SER OG : rot -13:sc= 1.01 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot -126:sc= -0.0403 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -101:sc= -2.69! (180deg=-5.51!) USER MOD Single : A 67 ASN : amide:sc= -0.368 X(o=-0.37,f=-0.42) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 92:sc= -2.86 USER MOD Single : A 79 LYS NZ :NH3+ -106:sc= -2.6! (180deg=-5.46!) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 141:sc= 0.213 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -1.41 K(o=-1.4,f=-2.5!) USER MOD Single : A 102 ASN : amide:sc= -7.03! C(o=-7!,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -2.448 9.896 3.407 1.00 0.00 N ATOM 21 CA VAL A 2 -2.870 8.504 3.326 1.00 0.00 C ATOM 22 C VAL A 2 -4.342 8.405 2.924 1.00 0.00 C ATOM 23 O VAL A 2 -5.180 9.150 3.431 1.00 0.00 O ATOM 24 CB VAL A 2 -2.646 7.783 4.672 1.00 0.00 C ATOM 25 CG1 VAL A 2 -3.568 8.339 5.749 1.00 0.00 C ATOM 26 CG2 VAL A 2 -2.827 6.282 4.521 1.00 0.00 C ATOM 0 HA VAL A 2 -2.264 8.017 2.562 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.618 7.967 4.984 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.390 7.814 6.687 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.369 9.402 5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.606 8.200 5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.664 5.797 5.484 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.839 6.071 4.175 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.108 5.900 3.796 1.00 0.00 H new ATOM 36 N THR A 3 -4.653 7.493 2.003 1.00 0.00 N ATOM 37 CA THR A 3 -6.029 7.326 1.541 1.00 0.00 C ATOM 38 C THR A 3 -6.313 5.887 1.112 1.00 0.00 C ATOM 39 O THR A 3 -5.416 5.161 0.683 1.00 0.00 O ATOM 40 CB THR A 3 -6.311 8.279 0.378 1.00 0.00 C ATOM 41 OG1 THR A 3 -6.098 9.623 0.770 1.00 0.00 O ATOM 42 CG2 THR A 3 -7.724 8.176 -0.154 1.00 0.00 C ATOM 0 H THR A 3 -3.978 6.865 1.567 1.00 0.00 H new ATOM 0 HA THR A 3 -6.688 7.562 2.377 1.00 0.00 H new ATOM 0 HB THR A 3 -5.621 7.982 -0.412 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.282 10.218 0.013 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.855 8.879 -0.977 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.906 7.162 -0.511 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.430 8.413 0.642 1.00 0.00 H new ATOM 50 N GLN A 4 -7.579 5.490 1.230 1.00 0.00 N ATOM 51 CA GLN A 4 -8.019 4.147 0.854 1.00 0.00 C ATOM 52 C GLN A 4 -8.448 4.129 -0.612 1.00 0.00 C ATOM 53 O GLN A 4 -8.779 5.173 -1.176 1.00 0.00 O ATOM 54 CB GLN A 4 -9.211 3.734 1.721 1.00 0.00 C ATOM 55 CG GLN A 4 -9.015 3.977 3.211 1.00 0.00 C ATOM 56 CD GLN A 4 -8.208 2.887 3.890 1.00 0.00 C ATOM 57 OE1 GLN A 4 -7.085 2.588 3.493 1.00 0.00 O ATOM 58 NE2 GLN A 4 -8.783 2.283 4.924 1.00 0.00 N ATOM 0 H GLN A 4 -8.325 6.087 1.587 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.192 3.453 1.002 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.094 4.280 1.389 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.412 2.675 1.561 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.514 4.934 3.354 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -9.990 4.052 3.692 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.718 2.562 5.222 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -8.290 1.541 5.420 1.00 0.00 H new ATOM 67 N PHE A 5 -8.464 2.948 -1.228 1.00 0.00 N ATOM 68 CA PHE A 5 -8.883 2.837 -2.624 1.00 0.00 C ATOM 69 C PHE A 5 -10.143 1.988 -2.765 1.00 0.00 C ATOM 70 O PHE A 5 -10.075 0.760 -2.786 1.00 0.00 O ATOM 71 CB PHE A 5 -7.771 2.247 -3.495 1.00 0.00 C ATOM 72 CG PHE A 5 -6.602 3.167 -3.715 1.00 0.00 C ATOM 73 CD1 PHE A 5 -6.774 4.545 -3.746 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.334 2.649 -3.927 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.701 5.386 -3.981 1.00 0.00 C ATOM 76 CE2 PHE A 5 -4.259 3.486 -4.159 1.00 0.00 C ATOM 77 CZ PHE A 5 -4.443 4.855 -4.190 1.00 0.00 C ATOM 0 H PHE A 5 -8.196 2.067 -0.790 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.102 3.848 -2.967 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.412 1.328 -3.032 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.190 1.974 -4.463 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.756 4.964 -3.585 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.184 1.580 -3.911 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.847 6.456 -4.001 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.275 3.070 -4.316 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.604 5.509 -4.377 1.00 0.00 H new ATOM 87 N LYS A 6 -11.290 2.654 -2.884 1.00 0.00 N ATOM 88 CA LYS A 6 -12.567 1.962 -3.047 1.00 0.00 C ATOM 89 C LYS A 6 -12.831 1.645 -4.515 1.00 0.00 C ATOM 90 O LYS A 6 -13.523 0.683 -4.837 1.00 0.00 O ATOM 91 CB LYS A 6 -13.714 2.803 -2.482 1.00 0.00 C ATOM 92 CG LYS A 6 -13.794 2.791 -0.966 1.00 0.00 C ATOM 93 CD LYS A 6 -14.134 1.404 -0.439 1.00 0.00 C ATOM 94 CE LYS A 6 -14.193 1.382 1.079 1.00 0.00 C ATOM 95 NZ LYS A 6 -15.224 2.318 1.609 1.00 0.00 N ATOM 0 H LYS A 6 -11.361 3.671 -2.871 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.511 1.025 -2.493 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.599 3.832 -2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.656 2.436 -2.889 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.842 3.118 -0.547 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.549 3.503 -0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -15.094 1.085 -0.846 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.387 0.689 -0.785 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.413 0.370 1.419 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.217 1.650 1.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.389 2.119 2.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.893 3.298 1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -16.111 2.192 1.082 1.00 0.00 H new ATOM 109 N THR A 7 -12.269 2.459 -5.404 1.00 0.00 N ATOM 110 CA THR A 7 -12.441 2.257 -6.836 1.00 0.00 C ATOM 111 C THR A 7 -11.088 2.230 -7.537 1.00 0.00 C ATOM 112 O THR A 7 -10.298 3.167 -7.418 1.00 0.00 O ATOM 113 CB THR A 7 -13.319 3.361 -7.429 1.00 0.00 C ATOM 114 OG1 THR A 7 -12.740 4.634 -7.210 1.00 0.00 O ATOM 115 CG2 THR A 7 -14.718 3.387 -6.853 1.00 0.00 C ATOM 0 H THR A 7 -11.692 3.263 -5.157 1.00 0.00 H new ATOM 0 HA THR A 7 -12.933 1.297 -6.991 1.00 0.00 H new ATOM 0 HB THR A 7 -13.386 3.136 -8.493 1.00 0.00 H new ATOM 0 HG1 THR A 7 -12.705 4.816 -6.248 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.287 4.193 -7.316 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.210 2.435 -7.050 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.665 3.552 -5.777 1.00 0.00 H new ATOM 123 N ALA A 8 -10.823 1.149 -8.265 1.00 0.00 N ATOM 124 CA ALA A 8 -9.559 0.999 -8.978 1.00 0.00 C ATOM 125 C ALA A 8 -9.263 2.217 -9.846 1.00 0.00 C ATOM 126 O ALA A 8 -8.105 2.514 -10.138 1.00 0.00 O ATOM 127 CB ALA A 8 -9.572 -0.268 -9.820 1.00 0.00 C ATOM 0 H ALA A 8 -11.466 0.365 -8.376 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.764 0.919 -8.237 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.622 -0.365 -10.346 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.719 -1.133 -9.173 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.384 -0.215 -10.545 1.00 0.00 H new ATOM 133 N SER A 9 -10.311 2.927 -10.243 1.00 0.00 N ATOM 134 CA SER A 9 -10.151 4.120 -11.060 1.00 0.00 C ATOM 135 C SER A 9 -9.304 5.161 -10.330 1.00 0.00 C ATOM 136 O SER A 9 -8.769 6.082 -10.945 1.00 0.00 O ATOM 137 CB SER A 9 -11.517 4.711 -11.408 1.00 0.00 C ATOM 138 OG SER A 9 -12.304 3.785 -12.138 1.00 0.00 O ATOM 0 H SER A 9 -11.278 2.697 -10.013 1.00 0.00 H new ATOM 0 HA SER A 9 -9.641 3.839 -11.981 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.038 4.994 -10.493 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.384 5.621 -11.993 1.00 0.00 H new ATOM 0 HG SER A 9 -13.173 4.187 -12.346 1.00 0.00 H new ATOM 144 N GLU A 10 -9.191 5.010 -9.010 1.00 0.00 N ATOM 145 CA GLU A 10 -8.414 5.933 -8.199 1.00 0.00 C ATOM 146 C GLU A 10 -6.969 5.475 -8.076 1.00 0.00 C ATOM 147 O GLU A 10 -6.040 6.280 -8.127 1.00 0.00 O ATOM 148 CB GLU A 10 -9.039 6.081 -6.810 1.00 0.00 C ATOM 149 CG GLU A 10 -10.433 6.684 -6.832 1.00 0.00 C ATOM 150 CD GLU A 10 -11.039 6.802 -5.448 1.00 0.00 C ATOM 151 OE1 GLU A 10 -10.442 7.493 -4.596 1.00 0.00 O ATOM 152 OE2 GLU A 10 -12.111 6.205 -5.215 1.00 0.00 O ATOM 0 H GLU A 10 -9.630 4.255 -8.484 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.422 6.903 -8.697 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.083 5.101 -6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.392 6.705 -6.194 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.390 7.672 -7.291 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.081 6.069 -7.457 1.00 0.00 H new ATOM 159 N PHE A 11 -6.796 4.176 -7.909 1.00 0.00 N ATOM 160 CA PHE A 11 -5.472 3.588 -7.768 1.00 0.00 C ATOM 161 C PHE A 11 -4.761 3.522 -9.118 1.00 0.00 C ATOM 162 O PHE A 11 -3.536 3.609 -9.193 1.00 0.00 O ATOM 163 CB PHE A 11 -5.584 2.185 -7.164 1.00 0.00 C ATOM 164 CG PHE A 11 -4.267 1.584 -6.742 1.00 0.00 C ATOM 165 CD1 PHE A 11 -3.094 2.327 -6.777 1.00 0.00 C ATOM 166 CD2 PHE A 11 -4.208 0.272 -6.300 1.00 0.00 C ATOM 167 CE1 PHE A 11 -1.893 1.770 -6.385 1.00 0.00 C ATOM 168 CE2 PHE A 11 -3.008 -0.288 -5.906 1.00 0.00 C ATOM 169 CZ PHE A 11 -1.851 0.462 -5.949 1.00 0.00 C ATOM 0 H PHE A 11 -7.561 3.502 -7.867 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.884 4.219 -7.101 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.245 2.227 -6.298 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.054 1.525 -7.893 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.122 3.352 -7.115 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.111 -0.320 -6.263 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.988 2.358 -6.420 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.976 -1.312 -5.565 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.912 0.025 -5.641 1.00 0.00 H new ATOM 179 N ASP A 12 -5.540 3.366 -10.184 1.00 0.00 N ATOM 180 CA ASP A 12 -4.987 3.284 -11.533 1.00 0.00 C ATOM 181 C ASP A 12 -4.103 4.492 -11.839 1.00 0.00 C ATOM 182 O ASP A 12 -2.973 4.344 -12.306 1.00 0.00 O ATOM 183 CB ASP A 12 -6.115 3.190 -12.563 1.00 0.00 C ATOM 184 CG ASP A 12 -5.596 3.073 -13.983 1.00 0.00 C ATOM 185 OD1 ASP A 12 -4.869 2.100 -14.272 1.00 0.00 O ATOM 186 OD2 ASP A 12 -5.917 3.956 -14.807 1.00 0.00 O ATOM 0 H ASP A 12 -6.557 3.294 -10.140 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.373 2.386 -11.591 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.739 2.326 -12.335 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.750 4.072 -12.483 1.00 0.00 H new ATOM 191 N SER A 13 -4.625 5.685 -11.574 1.00 0.00 N ATOM 192 CA SER A 13 -3.884 6.917 -11.823 1.00 0.00 C ATOM 193 C SER A 13 -2.751 7.092 -10.815 1.00 0.00 C ATOM 194 O SER A 13 -1.758 7.765 -11.094 1.00 0.00 O ATOM 195 CB SER A 13 -4.824 8.122 -11.765 1.00 0.00 C ATOM 196 OG SER A 13 -5.850 8.017 -12.737 1.00 0.00 O ATOM 0 H SER A 13 -5.558 5.825 -11.187 1.00 0.00 H new ATOM 0 HA SER A 13 -3.448 6.850 -12.820 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.266 8.194 -10.771 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.256 9.038 -11.929 1.00 0.00 H new ATOM 0 HG SER A 13 -6.438 8.799 -12.678 1.00 0.00 H new ATOM 202 N ALA A 14 -2.907 6.487 -9.641 1.00 0.00 N ATOM 203 CA ALA A 14 -1.899 6.581 -8.591 1.00 0.00 C ATOM 204 C ALA A 14 -0.539 6.091 -9.082 1.00 0.00 C ATOM 205 O ALA A 14 0.402 6.872 -9.215 1.00 0.00 O ATOM 206 CB ALA A 14 -2.340 5.791 -7.367 1.00 0.00 C ATOM 0 H ALA A 14 -3.722 5.926 -9.393 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.795 7.630 -8.316 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.579 5.869 -6.590 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.282 6.193 -6.994 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.475 4.744 -7.639 1.00 0.00 H new ATOM 212 N ILE A 15 -0.445 4.791 -9.347 1.00 0.00 N ATOM 213 CA ILE A 15 0.800 4.192 -9.820 1.00 0.00 C ATOM 214 C ILE A 15 1.332 4.899 -11.056 1.00 0.00 C ATOM 215 O ILE A 15 2.508 5.249 -11.115 1.00 0.00 O ATOM 216 CB ILE A 15 0.623 2.688 -10.119 1.00 0.00 C ATOM 217 CG1 ILE A 15 -0.455 2.464 -11.183 1.00 0.00 C ATOM 218 CG2 ILE A 15 0.277 1.936 -8.841 1.00 0.00 C ATOM 219 CD1 ILE A 15 -0.752 1.002 -11.446 1.00 0.00 C ATOM 0 H ILE A 15 -1.216 4.132 -9.242 1.00 0.00 H new ATOM 0 HA ILE A 15 1.527 4.309 -9.016 1.00 0.00 H new ATOM 0 HB ILE A 15 1.565 2.303 -10.509 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.372 2.962 -10.869 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.139 2.935 -12.114 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.155 0.876 -9.064 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.080 2.063 -8.115 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.652 2.329 -8.427 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.525 0.919 -12.210 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.154 0.503 -11.790 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.099 0.530 -10.527 1.00 0.00 H new ATOM 231 N ALA A 16 0.472 5.098 -12.048 1.00 0.00 N ATOM 232 CA ALA A 16 0.873 5.746 -13.292 1.00 0.00 C ATOM 233 C ALA A 16 1.727 6.988 -13.052 1.00 0.00 C ATOM 234 O ALA A 16 1.210 8.069 -12.775 1.00 0.00 O ATOM 235 CB ALA A 16 -0.352 6.100 -14.122 1.00 0.00 C ATOM 0 H ALA A 16 -0.509 4.820 -12.015 1.00 0.00 H new ATOM 0 HA ALA A 16 1.489 5.034 -13.841 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.037 6.583 -15.047 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.907 5.192 -14.357 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.990 6.779 -13.557 1.00 0.00 H new ATOM 241 N GLN A 17 3.042 6.818 -13.179 1.00 0.00 N ATOM 242 CA GLN A 17 3.988 7.914 -12.997 1.00 0.00 C ATOM 243 C GLN A 17 3.652 8.744 -11.766 1.00 0.00 C ATOM 244 O GLN A 17 2.905 9.719 -11.846 1.00 0.00 O ATOM 245 CB GLN A 17 3.999 8.800 -14.241 1.00 0.00 C ATOM 246 CG GLN A 17 4.497 8.076 -15.477 1.00 0.00 C ATOM 247 CD GLN A 17 5.994 7.836 -15.451 1.00 0.00 C ATOM 248 OE1 GLN A 17 6.784 8.777 -15.372 1.00 0.00 O ATOM 249 NE2 GLN A 17 6.391 6.571 -15.517 1.00 0.00 N ATOM 0 H GLN A 17 3.477 5.925 -13.409 1.00 0.00 H new ATOM 0 HA GLN A 17 4.978 7.484 -12.847 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.991 9.171 -14.425 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.630 9.669 -14.056 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.981 7.120 -15.565 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.242 8.659 -16.362 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.701 5.823 -15.582 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.386 6.347 -15.503 1.00 0.00 H new ATOM 258 N ASP A 18 4.207 8.354 -10.625 1.00 0.00 N ATOM 259 CA ASP A 18 3.960 9.069 -9.384 1.00 0.00 C ATOM 260 C ASP A 18 4.899 8.599 -8.278 1.00 0.00 C ATOM 261 O ASP A 18 4.494 8.473 -7.123 1.00 0.00 O ATOM 262 CB ASP A 18 2.504 8.889 -8.949 1.00 0.00 C ATOM 263 CG ASP A 18 2.152 9.722 -7.731 1.00 0.00 C ATOM 264 OD1 ASP A 18 3.031 10.464 -7.243 1.00 0.00 O ATOM 265 OD2 ASP A 18 0.995 9.636 -7.267 1.00 0.00 O ATOM 0 H ASP A 18 4.828 7.550 -10.536 1.00 0.00 H new ATOM 0 HA ASP A 18 4.151 10.127 -9.563 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.846 9.162 -9.774 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.321 7.837 -8.730 1.00 0.00 H new ATOM 270 N LYS A 19 6.159 8.351 -8.634 1.00 0.00 N ATOM 271 CA LYS A 19 7.148 7.915 -7.661 1.00 0.00 C ATOM 272 C LYS A 19 6.791 6.534 -7.124 1.00 0.00 C ATOM 273 O LYS A 19 6.121 5.752 -7.798 1.00 0.00 O ATOM 274 CB LYS A 19 7.238 8.953 -6.534 1.00 0.00 C ATOM 275 CG LYS A 19 7.688 10.333 -6.995 1.00 0.00 C ATOM 276 CD LYS A 19 6.629 11.027 -7.840 1.00 0.00 C ATOM 277 CE LYS A 19 7.019 12.463 -8.150 1.00 0.00 C ATOM 278 NZ LYS A 19 8.302 12.540 -8.904 1.00 0.00 N ATOM 0 H LYS A 19 6.514 8.445 -9.586 1.00 0.00 H new ATOM 0 HA LYS A 19 8.125 7.835 -8.138 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.262 9.041 -6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.932 8.591 -5.775 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.918 10.948 -6.125 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.608 10.240 -7.572 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.487 10.478 -8.771 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.675 11.013 -7.313 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.228 12.937 -8.731 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.111 13.023 -7.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.465 13.520 -9.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.084 12.236 -8.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.254 11.918 -9.736 1.00 0.00 H new ATOM 292 N LEU A 20 7.250 6.234 -5.922 1.00 0.00 N ATOM 293 CA LEU A 20 6.989 4.943 -5.306 1.00 0.00 C ATOM 294 C LEU A 20 5.813 5.032 -4.343 1.00 0.00 C ATOM 295 O LEU A 20 5.868 5.735 -3.335 1.00 0.00 O ATOM 296 CB LEU A 20 8.229 4.463 -4.553 1.00 0.00 C ATOM 297 CG LEU A 20 8.041 3.169 -3.759 1.00 0.00 C ATOM 298 CD1 LEU A 20 7.799 1.996 -4.695 1.00 0.00 C ATOM 299 CD2 LEU A 20 9.247 2.913 -2.869 1.00 0.00 C ATOM 0 H LEU A 20 7.807 6.869 -5.350 1.00 0.00 H new ATOM 0 HA LEU A 20 6.743 4.232 -6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.038 4.318 -5.269 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.547 5.249 -3.868 1.00 0.00 H new ATOM 0 HG LEU A 20 7.163 3.278 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.668 1.085 -4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.902 2.181 -5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.654 1.880 -5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.098 1.989 -2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.142 2.824 -3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.367 3.742 -2.172 1.00 0.00 H new ATOM 311 N VAL A 21 4.747 4.313 -4.670 1.00 0.00 N ATOM 312 CA VAL A 21 3.547 4.301 -3.848 1.00 0.00 C ATOM 313 C VAL A 21 3.423 2.990 -3.080 1.00 0.00 C ATOM 314 O VAL A 21 3.498 1.907 -3.661 1.00 0.00 O ATOM 315 CB VAL A 21 2.283 4.509 -4.705 1.00 0.00 C ATOM 316 CG1 VAL A 21 1.038 4.557 -3.831 1.00 0.00 C ATOM 317 CG2 VAL A 21 2.406 5.775 -5.538 1.00 0.00 C ATOM 0 H VAL A 21 4.691 3.728 -5.504 1.00 0.00 H new ATOM 0 HA VAL A 21 3.635 5.124 -3.139 1.00 0.00 H new ATOM 0 HB VAL A 21 2.186 3.661 -5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.159 4.705 -4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.941 3.619 -3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.122 5.382 -3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.505 5.906 -6.137 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.531 6.634 -4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.271 5.694 -6.197 1.00 0.00 H new ATOM 327 N VAL A 22 3.223 3.096 -1.771 1.00 0.00 N ATOM 328 CA VAL A 22 3.080 1.919 -0.923 1.00 0.00 C ATOM 329 C VAL A 22 1.610 1.652 -0.631 1.00 0.00 C ATOM 330 O VAL A 22 1.025 2.258 0.265 1.00 0.00 O ATOM 331 CB VAL A 22 3.836 2.088 0.407 1.00 0.00 C ATOM 332 CG1 VAL A 22 3.756 0.817 1.240 1.00 0.00 C ATOM 333 CG2 VAL A 22 5.283 2.477 0.147 1.00 0.00 C ATOM 0 H VAL A 22 3.156 3.985 -1.275 1.00 0.00 H new ATOM 0 HA VAL A 22 3.508 1.075 -1.463 1.00 0.00 H new ATOM 0 HB VAL A 22 3.362 2.889 0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.297 0.960 2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.712 0.589 1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.201 -0.010 0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.805 2.593 1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.769 1.699 -0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.314 3.419 -0.401 1.00 0.00 H new ATOM 343 N VAL A 23 1.014 0.752 -1.403 1.00 0.00 N ATOM 344 CA VAL A 23 -0.392 0.421 -1.232 1.00 0.00 C ATOM 345 C VAL A 23 -0.574 -0.891 -0.476 1.00 0.00 C ATOM 346 O VAL A 23 0.020 -1.911 -0.822 1.00 0.00 O ATOM 347 CB VAL A 23 -1.111 0.332 -2.593 1.00 0.00 C ATOM 348 CG1 VAL A 23 -2.601 0.097 -2.398 1.00 0.00 C ATOM 349 CG2 VAL A 23 -0.863 1.595 -3.403 1.00 0.00 C ATOM 0 H VAL A 23 1.482 0.240 -2.151 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.836 1.225 -0.644 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.706 -0.516 -3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.090 0.037 -3.370 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.754 -0.837 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.028 0.922 -1.827 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.376 1.519 -4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.242 2.458 -2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.207 1.714 -3.573 1.00 0.00 H new ATOM 359 N ASP A 24 -1.409 -0.851 0.557 1.00 0.00 N ATOM 360 CA ASP A 24 -1.689 -2.027 1.373 1.00 0.00 C ATOM 361 C ASP A 24 -3.013 -2.660 0.954 1.00 0.00 C ATOM 362 O ASP A 24 -4.026 -1.977 0.836 1.00 0.00 O ATOM 363 CB ASP A 24 -1.732 -1.637 2.856 1.00 0.00 C ATOM 364 CG ASP A 24 -2.107 -2.795 3.766 1.00 0.00 C ATOM 365 OD1 ASP A 24 -2.400 -3.894 3.248 1.00 0.00 O ATOM 366 OD2 ASP A 24 -2.114 -2.600 4.999 1.00 0.00 O ATOM 0 H ASP A 24 -1.907 -0.010 0.850 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.894 -2.757 1.223 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.757 -1.251 3.152 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.450 -0.828 2.992 1.00 0.00 H new ATOM 371 N PHE A 25 -2.994 -3.968 0.725 1.00 0.00 N ATOM 372 CA PHE A 25 -4.178 -4.689 0.311 1.00 0.00 C ATOM 373 C PHE A 25 -4.827 -5.391 1.496 1.00 0.00 C ATOM 374 O PHE A 25 -5.135 -6.581 1.437 1.00 0.00 O ATOM 375 CB PHE A 25 -3.793 -5.708 -0.755 1.00 0.00 C ATOM 376 CG PHE A 25 -3.469 -5.110 -2.095 1.00 0.00 C ATOM 377 CD1 PHE A 25 -2.534 -4.092 -2.222 1.00 0.00 C ATOM 378 CD2 PHE A 25 -4.083 -5.594 -3.233 1.00 0.00 C ATOM 379 CE1 PHE A 25 -2.224 -3.570 -3.463 1.00 0.00 C ATOM 380 CE2 PHE A 25 -3.781 -5.075 -4.474 1.00 0.00 C ATOM 381 CZ PHE A 25 -2.850 -4.061 -4.592 1.00 0.00 C ATOM 0 H PHE A 25 -2.161 -4.549 0.822 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.900 -3.982 -0.098 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.930 -6.274 -0.405 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.612 -6.417 -0.875 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.044 -3.704 -1.341 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.809 -6.389 -3.150 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.493 -2.779 -3.550 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.273 -5.461 -5.355 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.613 -3.654 -5.564 1.00 0.00 H new ATOM 391 N TYR A 26 -5.039 -4.639 2.571 1.00 0.00 N ATOM 392 CA TYR A 26 -5.662 -5.181 3.770 1.00 0.00 C ATOM 393 C TYR A 26 -6.961 -5.904 3.427 1.00 0.00 C ATOM 394 O TYR A 26 -7.753 -5.424 2.619 1.00 0.00 O ATOM 395 CB TYR A 26 -5.913 -4.061 4.787 1.00 0.00 C ATOM 396 CG TYR A 26 -6.526 -2.811 4.188 1.00 0.00 C ATOM 397 CD1 TYR A 26 -7.751 -2.858 3.536 1.00 0.00 C ATOM 398 CD2 TYR A 26 -5.875 -1.583 4.267 1.00 0.00 C ATOM 399 CE1 TYR A 26 -8.308 -1.724 2.984 1.00 0.00 C ATOM 400 CE2 TYR A 26 -6.428 -0.446 3.722 1.00 0.00 C ATOM 401 CZ TYR A 26 -7.646 -0.521 3.080 1.00 0.00 C ATOM 402 OH TYR A 26 -8.200 0.608 2.526 1.00 0.00 O ATOM 0 H TYR A 26 -4.788 -3.652 2.635 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.983 -5.908 4.215 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.571 -4.436 5.571 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.968 -3.798 5.263 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.276 -3.799 3.460 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.919 -1.521 4.765 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.261 -1.779 2.478 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.911 0.499 3.797 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.501 1.281 2.387 1.00 0.00 H new ATOM 412 N ALA A 27 -7.169 -7.067 4.031 1.00 0.00 N ATOM 413 CA ALA A 27 -8.369 -7.849 3.772 1.00 0.00 C ATOM 414 C ALA A 27 -9.618 -7.084 4.187 1.00 0.00 C ATOM 415 O ALA A 27 -9.583 -6.269 5.108 1.00 0.00 O ATOM 416 CB ALA A 27 -8.300 -9.184 4.494 1.00 0.00 C ATOM 0 H ALA A 27 -6.525 -7.487 4.701 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.426 -8.036 2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.205 -9.756 4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.432 -9.742 4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.214 -9.013 5.567 1.00 0.00 H new ATOM 422 N THR A 28 -10.722 -7.350 3.501 1.00 0.00 N ATOM 423 CA THR A 28 -11.982 -6.683 3.796 1.00 0.00 C ATOM 424 C THR A 28 -12.661 -7.294 5.020 1.00 0.00 C ATOM 425 O THR A 28 -13.489 -6.652 5.666 1.00 0.00 O ATOM 426 CB THR A 28 -12.921 -6.765 2.593 1.00 0.00 C ATOM 427 OG1 THR A 28 -14.181 -6.198 2.906 1.00 0.00 O ATOM 428 CG2 THR A 28 -13.158 -8.182 2.113 1.00 0.00 C ATOM 0 H THR A 28 -10.770 -8.023 2.736 1.00 0.00 H new ATOM 0 HA THR A 28 -11.760 -5.638 4.012 1.00 0.00 H new ATOM 0 HB THR A 28 -12.424 -6.210 1.797 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.879 -6.644 2.383 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.833 -8.168 1.257 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.209 -8.630 1.819 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.603 -8.769 2.917 1.00 0.00 H new ATOM 436 N TRP A 29 -12.314 -8.540 5.327 1.00 0.00 N ATOM 437 CA TRP A 29 -12.898 -9.240 6.467 1.00 0.00 C ATOM 438 C TRP A 29 -11.929 -9.314 7.647 1.00 0.00 C ATOM 439 O TRP A 29 -12.351 -9.258 8.802 1.00 0.00 O ATOM 440 CB TRP A 29 -13.324 -10.652 6.058 1.00 0.00 C ATOM 441 CG TRP A 29 -12.308 -11.346 5.208 1.00 0.00 C ATOM 442 CD1 TRP A 29 -12.169 -11.251 3.852 1.00 0.00 C ATOM 443 CD2 TRP A 29 -11.259 -12.204 5.659 1.00 0.00 C ATOM 444 NE1 TRP A 29 -11.114 -12.020 3.432 1.00 0.00 N ATOM 445 CE2 TRP A 29 -10.534 -12.613 4.522 1.00 0.00 C ATOM 446 CE3 TRP A 29 -10.866 -12.673 6.913 1.00 0.00 C ATOM 447 CZ2 TRP A 29 -9.440 -13.465 4.605 1.00 0.00 C ATOM 448 CZ3 TRP A 29 -9.778 -13.516 6.996 1.00 0.00 C ATOM 449 CH2 TRP A 29 -9.074 -13.906 5.848 1.00 0.00 C ATOM 0 H TRP A 29 -11.631 -9.086 4.802 1.00 0.00 H new ATOM 0 HA TRP A 29 -13.772 -8.672 6.786 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -13.505 -11.245 6.955 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -14.268 -10.598 5.515 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -12.798 -10.657 3.205 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.810 -12.132 2.465 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -11.404 -12.381 7.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.898 -13.768 3.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -9.463 -13.882 7.962 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.226 -14.568 5.946 1.00 0.00 H new ATOM 460 N CYS A 30 -10.633 -9.448 7.354 1.00 0.00 N ATOM 461 CA CYS A 30 -9.607 -9.535 8.399 1.00 0.00 C ATOM 462 C CYS A 30 -9.904 -8.579 9.554 1.00 0.00 C ATOM 463 O CYS A 30 -10.608 -7.585 9.382 1.00 0.00 O ATOM 464 CB CYS A 30 -8.224 -9.223 7.817 1.00 0.00 C ATOM 465 SG CYS A 30 -6.883 -9.247 9.031 1.00 0.00 S ATOM 0 H CYS A 30 -10.268 -9.499 6.403 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.617 -10.554 8.785 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.001 -9.946 7.033 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -8.254 -8.241 7.346 1.00 0.00 H new ATOM 0 HG CYS A 30 -6.369 -10.440 9.086 1.00 0.00 H new ATOM 471 N GLY A 31 -9.368 -8.890 10.729 1.00 0.00 N ATOM 472 CA GLY A 31 -9.592 -8.049 11.891 1.00 0.00 C ATOM 473 C GLY A 31 -8.586 -6.916 11.999 1.00 0.00 C ATOM 474 O GLY A 31 -8.837 -5.817 11.505 1.00 0.00 O ATOM 0 H GLY A 31 -8.783 -9.708 10.898 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.598 -7.632 11.844 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.542 -8.661 12.792 1.00 0.00 H new ATOM 478 N PRO A 32 -7.433 -7.152 12.650 1.00 0.00 N ATOM 479 CA PRO A 32 -6.391 -6.131 12.823 1.00 0.00 C ATOM 480 C PRO A 32 -5.736 -5.729 11.502 1.00 0.00 C ATOM 481 O PRO A 32 -4.533 -5.909 11.314 1.00 0.00 O ATOM 482 CB PRO A 32 -5.362 -6.805 13.746 1.00 0.00 C ATOM 483 CG PRO A 32 -6.056 -7.996 14.314 1.00 0.00 C ATOM 484 CD PRO A 32 -7.053 -8.426 13.279 1.00 0.00 C ATOM 0 HA PRO A 32 -6.803 -5.207 13.229 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.470 -7.098 13.192 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.038 -6.126 14.535 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.347 -8.795 14.528 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.551 -7.748 15.253 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.617 -9.119 12.559 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.910 -8.929 13.726 1.00 0.00 H new ATOM 492 N CYS A 33 -6.532 -5.179 10.591 1.00 0.00 N ATOM 493 CA CYS A 33 -6.023 -4.749 9.292 1.00 0.00 C ATOM 494 C CYS A 33 -6.445 -3.308 8.975 1.00 0.00 C ATOM 495 O CYS A 33 -6.047 -2.755 7.950 1.00 0.00 O ATOM 496 CB CYS A 33 -6.520 -5.686 8.189 1.00 0.00 C ATOM 497 SG CYS A 33 -8.313 -5.684 7.967 1.00 0.00 S ATOM 0 H CYS A 33 -7.530 -5.020 10.727 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.934 -4.786 9.335 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -6.048 -5.403 7.248 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.195 -6.701 8.416 1.00 0.00 H new ATOM 0 HG CYS A 33 -8.597 -5.944 6.725 1.00 0.00 H new ATOM 503 N LYS A 34 -7.256 -2.703 9.850 1.00 0.00 N ATOM 504 CA LYS A 34 -7.723 -1.332 9.637 1.00 0.00 C ATOM 505 C LYS A 34 -6.900 -0.331 10.443 1.00 0.00 C ATOM 506 O LYS A 34 -6.809 0.842 10.082 1.00 0.00 O ATOM 507 CB LYS A 34 -9.202 -1.190 10.014 1.00 0.00 C ATOM 508 CG LYS A 34 -10.140 -2.082 9.214 1.00 0.00 C ATOM 509 CD LYS A 34 -10.135 -3.511 9.730 1.00 0.00 C ATOM 510 CE LYS A 34 -11.059 -4.400 8.911 1.00 0.00 C ATOM 511 NZ LYS A 34 -12.464 -3.909 8.932 1.00 0.00 N ATOM 0 H LYS A 34 -7.600 -3.139 10.706 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.600 -1.115 8.576 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.318 -1.418 11.074 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.502 -0.151 9.876 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.153 -1.681 9.263 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.844 -2.073 8.165 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.121 -3.908 9.696 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.447 -3.523 10.774 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.704 -4.441 7.881 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.024 -5.417 9.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.095 -4.645 8.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.739 -3.684 9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.542 -3.054 8.345 1.00 0.00 H new ATOM 525 N MET A 35 -6.300 -0.797 11.534 1.00 0.00 N ATOM 526 CA MET A 35 -5.482 0.063 12.386 1.00 0.00 C ATOM 527 C MET A 35 -4.195 0.484 11.678 1.00 0.00 C ATOM 528 O MET A 35 -3.375 1.209 12.243 1.00 0.00 O ATOM 529 CB MET A 35 -5.144 -0.662 13.686 1.00 0.00 C ATOM 530 CG MET A 35 -6.367 -1.128 14.455 1.00 0.00 C ATOM 531 SD MET A 35 -7.414 0.239 14.989 1.00 0.00 S ATOM 532 CE MET A 35 -8.726 -0.647 15.828 1.00 0.00 C ATOM 0 H MET A 35 -6.364 -1.765 11.850 1.00 0.00 H new ATOM 0 HA MET A 35 -6.057 0.962 12.608 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.517 -1.524 13.459 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.557 0.002 14.321 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.950 -1.804 13.829 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.047 -1.698 15.327 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.455 0.064 16.216 1.00 0.00 H new ATOM 0 HE2 MET A 35 -9.215 -1.322 15.126 1.00 0.00 H new ATOM 0 HE3 MET A 35 -8.307 -1.223 16.653 1.00 0.00 H new ATOM 542 N ILE A 36 -4.021 0.018 10.447 1.00 0.00 N ATOM 543 CA ILE A 36 -2.840 0.334 9.657 1.00 0.00 C ATOM 544 C ILE A 36 -2.965 1.690 8.964 1.00 0.00 C ATOM 545 O ILE A 36 -1.964 2.349 8.691 1.00 0.00 O ATOM 546 CB ILE A 36 -2.597 -0.755 8.600 1.00 0.00 C ATOM 547 CG1 ILE A 36 -2.392 -2.110 9.275 1.00 0.00 C ATOM 548 CG2 ILE A 36 -1.404 -0.403 7.733 1.00 0.00 C ATOM 549 CD1 ILE A 36 -2.163 -3.236 8.297 1.00 0.00 C ATOM 0 H ILE A 36 -4.691 -0.586 9.972 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.995 0.378 10.345 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.476 -0.817 7.958 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.539 -2.046 9.951 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.266 -2.340 9.885 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.249 -1.187 6.991 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.589 0.544 7.227 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.515 -0.313 8.357 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.025 -4.169 8.843 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.026 -3.326 7.637 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.273 -3.027 7.704 1.00 0.00 H new ATOM 561 N ALA A 37 -4.197 2.102 8.680 1.00 0.00 N ATOM 562 CA ALA A 37 -4.446 3.380 8.016 1.00 0.00 C ATOM 563 C ALA A 37 -3.659 4.526 8.657 1.00 0.00 C ATOM 564 O ALA A 37 -3.036 5.320 7.954 1.00 0.00 O ATOM 565 CB ALA A 37 -5.937 3.691 8.014 1.00 0.00 C ATOM 0 H ALA A 37 -5.039 1.570 8.899 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.098 3.287 6.987 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.109 4.646 7.517 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.472 2.904 7.483 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.298 3.747 9.041 1.00 0.00 H new ATOM 571 N PRO A 38 -3.658 4.627 10.000 1.00 0.00 N ATOM 572 CA PRO A 38 -2.921 5.682 10.692 1.00 0.00 C ATOM 573 C PRO A 38 -1.425 5.423 10.631 1.00 0.00 C ATOM 574 O PRO A 38 -0.627 6.346 10.473 1.00 0.00 O ATOM 575 CB PRO A 38 -3.438 5.615 12.129 1.00 0.00 C ATOM 576 CG PRO A 38 -3.944 4.222 12.302 1.00 0.00 C ATOM 577 CD PRO A 38 -4.347 3.722 10.938 1.00 0.00 C ATOM 0 HA PRO A 38 -3.070 6.665 10.245 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.645 5.837 12.843 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.230 6.345 12.296 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.173 3.583 12.734 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.793 4.203 12.985 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.042 2.686 10.788 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.428 3.759 10.804 1.00 0.00 H new ATOM 585 N MET A 39 -1.057 4.150 10.719 1.00 0.00 N ATOM 586 CA MET A 39 0.339 3.748 10.634 1.00 0.00 C ATOM 587 C MET A 39 0.887 4.130 9.268 1.00 0.00 C ATOM 588 O MET A 39 1.909 4.802 9.164 1.00 0.00 O ATOM 589 CB MET A 39 0.457 2.237 10.875 1.00 0.00 C ATOM 590 CG MET A 39 1.847 1.660 10.650 1.00 0.00 C ATOM 591 SD MET A 39 2.231 1.407 8.904 1.00 0.00 S ATOM 592 CE MET A 39 3.795 0.542 9.017 1.00 0.00 C ATOM 0 H MET A 39 -1.710 3.377 10.850 1.00 0.00 H new ATOM 0 HA MET A 39 0.923 4.260 11.399 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.151 2.022 11.899 1.00 0.00 H new ATOM 0 HB3 MET A 39 -0.245 1.723 10.218 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.588 2.330 11.086 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.929 0.709 11.176 1.00 0.00 H new ATOM 0 HE1 MET A 39 4.534 1.044 8.393 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.136 0.540 10.052 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.668 -0.485 8.675 1.00 0.00 H new ATOM 602 N ILE A 40 0.176 3.718 8.223 1.00 0.00 N ATOM 603 CA ILE A 40 0.565 4.029 6.852 1.00 0.00 C ATOM 604 C ILE A 40 0.814 5.527 6.690 1.00 0.00 C ATOM 605 O ILE A 40 1.623 5.947 5.863 1.00 0.00 O ATOM 606 CB ILE A 40 -0.524 3.572 5.853 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.641 2.049 5.858 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.225 4.078 4.447 1.00 0.00 C ATOM 609 CD1 ILE A 40 -1.664 1.515 4.877 1.00 0.00 C ATOM 0 H ILE A 40 -0.677 3.165 8.301 1.00 0.00 H new ATOM 0 HA ILE A 40 1.488 3.490 6.637 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.476 3.999 6.169 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.333 1.618 5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.905 1.717 6.862 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.007 3.742 3.766 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.192 5.167 4.452 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.737 3.687 4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.692 0.427 4.936 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.647 1.917 5.122 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.390 1.816 3.866 1.00 0.00 H new ATOM 621 N GLU A 41 0.116 6.324 7.491 1.00 0.00 N ATOM 622 CA GLU A 41 0.262 7.771 7.446 1.00 0.00 C ATOM 623 C GLU A 41 1.552 8.198 8.133 1.00 0.00 C ATOM 624 O GLU A 41 2.254 9.095 7.667 1.00 0.00 O ATOM 625 CB GLU A 41 -0.935 8.440 8.119 1.00 0.00 C ATOM 626 CG GLU A 41 -0.877 9.959 8.099 1.00 0.00 C ATOM 627 CD GLU A 41 -2.068 10.598 8.786 1.00 0.00 C ATOM 628 OE1 GLU A 41 -3.210 10.357 8.340 1.00 0.00 O ATOM 629 OE2 GLU A 41 -1.860 11.337 9.771 1.00 0.00 O ATOM 0 H GLU A 41 -0.558 5.990 8.180 1.00 0.00 H new ATOM 0 HA GLU A 41 0.304 8.083 6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.849 8.114 7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.995 8.101 9.153 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.040 10.290 8.587 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.831 10.303 7.066 1.00 0.00 H new ATOM 636 N LYS A 42 1.861 7.544 9.248 1.00 0.00 N ATOM 637 CA LYS A 42 3.064 7.845 10.008 1.00 0.00 C ATOM 638 C LYS A 42 4.314 7.744 9.135 1.00 0.00 C ATOM 639 O LYS A 42 5.336 8.366 9.428 1.00 0.00 O ATOM 640 CB LYS A 42 3.168 6.888 11.195 1.00 0.00 C ATOM 641 CG LYS A 42 2.032 7.032 12.179 1.00 0.00 C ATOM 642 CD LYS A 42 2.139 8.335 12.945 1.00 0.00 C ATOM 643 CE LYS A 42 1.280 8.304 14.189 1.00 0.00 C ATOM 644 NZ LYS A 42 -0.168 8.169 13.866 1.00 0.00 N ATOM 0 H LYS A 42 1.290 6.798 9.645 1.00 0.00 H new ATOM 0 HA LYS A 42 2.997 8.871 10.370 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.192 5.863 10.825 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.112 7.062 11.712 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.080 6.995 11.649 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.042 6.194 12.876 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.178 8.515 13.221 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.831 9.163 12.306 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.589 7.472 14.822 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.440 9.217 14.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.727 8.237 14.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.451 8.929 13.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.339 7.247 13.417 1.00 0.00 H new ATOM 658 N PHE A 43 4.232 6.957 8.065 1.00 0.00 N ATOM 659 CA PHE A 43 5.364 6.782 7.161 1.00 0.00 C ATOM 660 C PHE A 43 5.351 7.807 6.034 1.00 0.00 C ATOM 661 O PHE A 43 6.391 8.101 5.443 1.00 0.00 O ATOM 662 CB PHE A 43 5.382 5.363 6.591 1.00 0.00 C ATOM 663 CG PHE A 43 5.638 4.315 7.632 1.00 0.00 C ATOM 664 CD1 PHE A 43 4.752 4.138 8.680 1.00 0.00 C ATOM 665 CD2 PHE A 43 6.771 3.519 7.573 1.00 0.00 C ATOM 666 CE1 PHE A 43 4.988 3.184 9.651 1.00 0.00 C ATOM 667 CE2 PHE A 43 7.012 2.562 8.539 1.00 0.00 C ATOM 668 CZ PHE A 43 6.119 2.393 9.580 1.00 0.00 C ATOM 0 H PHE A 43 3.397 6.433 7.804 1.00 0.00 H new ATOM 0 HA PHE A 43 6.273 6.941 7.741 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.427 5.160 6.107 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.150 5.297 5.821 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.866 4.753 8.740 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.473 3.649 6.763 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.289 3.057 10.465 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.897 1.946 8.481 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.305 1.645 10.336 1.00 0.00 H new ATOM 678 N SER A 44 4.180 8.356 5.740 1.00 0.00 N ATOM 679 CA SER A 44 4.060 9.357 4.685 1.00 0.00 C ATOM 680 C SER A 44 4.722 10.673 5.095 1.00 0.00 C ATOM 681 O SER A 44 4.861 11.584 4.279 1.00 0.00 O ATOM 682 CB SER A 44 2.589 9.598 4.340 1.00 0.00 C ATOM 683 OG SER A 44 1.875 10.091 5.460 1.00 0.00 O ATOM 0 H SER A 44 3.305 8.128 6.212 1.00 0.00 H new ATOM 0 HA SER A 44 4.574 8.974 3.803 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.517 10.310 3.518 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.136 8.668 3.997 1.00 0.00 H new ATOM 0 HG SER A 44 2.417 9.979 6.269 1.00 0.00 H new ATOM 689 N GLU A 45 5.133 10.769 6.359 1.00 0.00 N ATOM 690 CA GLU A 45 5.781 11.975 6.862 1.00 0.00 C ATOM 691 C GLU A 45 7.295 11.900 6.678 1.00 0.00 C ATOM 692 O GLU A 45 7.969 12.926 6.583 1.00 0.00 O ATOM 693 CB GLU A 45 5.444 12.181 8.341 1.00 0.00 C ATOM 694 CG GLU A 45 6.089 13.416 8.949 1.00 0.00 C ATOM 695 CD GLU A 45 5.655 14.699 8.266 1.00 0.00 C ATOM 696 OE1 GLU A 45 5.907 14.841 7.051 1.00 0.00 O ATOM 697 OE2 GLU A 45 5.062 15.562 8.947 1.00 0.00 O ATOM 0 H GLU A 45 5.028 10.027 7.051 1.00 0.00 H new ATOM 0 HA GLU A 45 5.407 12.823 6.289 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.362 12.256 8.451 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.762 11.302 8.903 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.836 13.469 10.008 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.173 13.324 8.885 1.00 0.00 H new ATOM 704 N GLN A 46 7.826 10.680 6.630 1.00 0.00 N ATOM 705 CA GLN A 46 9.261 10.476 6.459 1.00 0.00 C ATOM 706 C GLN A 46 9.641 10.369 4.985 1.00 0.00 C ATOM 707 O GLN A 46 10.752 10.730 4.596 1.00 0.00 O ATOM 708 CB GLN A 46 9.709 9.221 7.206 1.00 0.00 C ATOM 709 CG GLN A 46 9.469 9.302 8.701 1.00 0.00 C ATOM 710 CD GLN A 46 9.920 8.053 9.434 1.00 0.00 C ATOM 711 OE1 GLN A 46 11.094 7.688 9.397 1.00 0.00 O ATOM 712 NE2 GLN A 46 8.985 7.393 10.108 1.00 0.00 N ATOM 0 H GLN A 46 7.284 9.819 6.707 1.00 0.00 H new ATOM 0 HA GLN A 46 9.771 11.345 6.875 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.178 8.358 6.805 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.771 9.056 7.023 1.00 0.00 H new ATOM 0 HG2 GLN A 46 9.998 10.166 9.104 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.407 9.464 8.886 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.023 7.732 10.111 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.229 6.547 10.623 1.00 0.00 H new ATOM 721 N TYR A 47 8.717 9.874 4.168 1.00 0.00 N ATOM 722 CA TYR A 47 8.968 9.726 2.737 1.00 0.00 C ATOM 723 C TYR A 47 7.929 10.483 1.908 1.00 0.00 C ATOM 724 O TYR A 47 7.405 9.954 0.929 1.00 0.00 O ATOM 725 CB TYR A 47 8.962 8.246 2.359 1.00 0.00 C ATOM 726 CG TYR A 47 10.006 7.435 3.090 1.00 0.00 C ATOM 727 CD1 TYR A 47 11.354 7.557 2.779 1.00 0.00 C ATOM 728 CD2 TYR A 47 9.641 6.553 4.097 1.00 0.00 C ATOM 729 CE1 TYR A 47 12.310 6.817 3.450 1.00 0.00 C ATOM 730 CE2 TYR A 47 10.591 5.809 4.773 1.00 0.00 C ATOM 731 CZ TYR A 47 11.923 5.945 4.444 1.00 0.00 C ATOM 732 OH TYR A 47 12.871 5.205 5.115 1.00 0.00 O ATOM 0 H TYR A 47 7.791 9.569 4.469 1.00 0.00 H new ATOM 0 HA TYR A 47 9.947 10.153 2.519 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.977 7.829 2.568 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.126 8.152 1.285 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.660 8.241 2.001 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.598 6.446 4.357 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.355 6.922 3.196 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.291 5.126 5.554 1.00 0.00 H new ATOM 0 HH TYR A 47 12.637 4.254 5.069 1.00 0.00 H new ATOM 742 N PRO A 48 7.613 11.736 2.295 1.00 0.00 N ATOM 743 CA PRO A 48 6.632 12.566 1.593 1.00 0.00 C ATOM 744 C PRO A 48 6.684 12.408 0.078 1.00 0.00 C ATOM 745 O PRO A 48 5.665 12.514 -0.604 1.00 0.00 O ATOM 746 CB PRO A 48 7.041 13.979 1.998 1.00 0.00 C ATOM 747 CG PRO A 48 7.607 13.833 3.370 1.00 0.00 C ATOM 748 CD PRO A 48 8.180 12.437 3.462 1.00 0.00 C ATOM 0 HA PRO A 48 5.609 12.297 1.855 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.777 14.391 1.308 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.186 14.655 1.993 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.380 14.580 3.551 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.835 13.984 4.124 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.269 12.451 3.428 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.896 11.951 4.395 1.00 0.00 H new ATOM 756 N GLN A 49 7.875 12.149 -0.438 1.00 0.00 N ATOM 757 CA GLN A 49 8.064 11.968 -1.874 1.00 0.00 C ATOM 758 C GLN A 49 7.209 10.816 -2.385 1.00 0.00 C ATOM 759 O GLN A 49 6.610 10.899 -3.457 1.00 0.00 O ATOM 760 CB GLN A 49 9.537 11.706 -2.193 1.00 0.00 C ATOM 761 CG GLN A 49 10.461 12.838 -1.776 1.00 0.00 C ATOM 762 CD GLN A 49 11.915 12.553 -2.099 1.00 0.00 C ATOM 763 OE1 GLN A 49 12.278 12.360 -3.259 1.00 0.00 O ATOM 764 NE2 GLN A 49 12.756 12.526 -1.072 1.00 0.00 N ATOM 0 H GLN A 49 8.728 12.059 0.114 1.00 0.00 H new ATOM 0 HA GLN A 49 7.754 12.885 -2.376 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.851 10.789 -1.693 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.644 11.537 -3.265 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.154 13.756 -2.278 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.358 13.010 -0.705 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.412 12.692 -0.126 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.747 12.340 -1.229 1.00 0.00 H new ATOM 773 N ALA A 50 7.154 9.743 -1.605 1.00 0.00 N ATOM 774 CA ALA A 50 6.369 8.571 -1.967 1.00 0.00 C ATOM 775 C ALA A 50 4.948 8.687 -1.429 1.00 0.00 C ATOM 776 O ALA A 50 4.733 9.173 -0.317 1.00 0.00 O ATOM 777 CB ALA A 50 7.036 7.308 -1.442 1.00 0.00 C ATOM 0 H ALA A 50 7.646 9.661 -0.715 1.00 0.00 H new ATOM 0 HA ALA A 50 6.317 8.513 -3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.439 6.439 -1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.033 7.216 -1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.115 7.363 -0.356 1.00 0.00 H new ATOM 783 N ASP A 51 3.980 8.240 -2.222 1.00 0.00 N ATOM 784 CA ASP A 51 2.580 8.299 -1.820 1.00 0.00 C ATOM 785 C ASP A 51 2.172 7.029 -1.081 1.00 0.00 C ATOM 786 O ASP A 51 2.340 5.922 -1.590 1.00 0.00 O ATOM 787 CB ASP A 51 1.685 8.502 -3.044 1.00 0.00 C ATOM 788 CG ASP A 51 1.994 9.791 -3.778 1.00 0.00 C ATOM 789 OD1 ASP A 51 1.876 10.870 -3.160 1.00 0.00 O ATOM 790 OD2 ASP A 51 2.355 9.723 -4.972 1.00 0.00 O ATOM 0 H ASP A 51 4.139 7.834 -3.144 1.00 0.00 H new ATOM 0 HA ASP A 51 2.457 9.145 -1.144 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.809 7.660 -3.725 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.641 8.507 -2.731 1.00 0.00 H new ATOM 795 N PHE A 52 1.635 7.195 0.120 1.00 0.00 N ATOM 796 CA PHE A 52 1.202 6.058 0.922 1.00 0.00 C ATOM 797 C PHE A 52 -0.305 5.863 0.816 1.00 0.00 C ATOM 798 O PHE A 52 -1.075 6.473 1.556 1.00 0.00 O ATOM 799 CB PHE A 52 1.606 6.249 2.383 1.00 0.00 C ATOM 800 CG PHE A 52 3.093 6.257 2.594 1.00 0.00 C ATOM 801 CD1 PHE A 52 3.885 7.228 2.003 1.00 0.00 C ATOM 802 CD2 PHE A 52 3.697 5.290 3.379 1.00 0.00 C ATOM 803 CE1 PHE A 52 5.254 7.236 2.194 1.00 0.00 C ATOM 804 CE2 PHE A 52 5.065 5.291 3.574 1.00 0.00 C ATOM 805 CZ PHE A 52 5.844 6.265 2.981 1.00 0.00 C ATOM 0 H PHE A 52 1.489 8.104 0.560 1.00 0.00 H new ATOM 0 HA PHE A 52 1.693 5.165 0.536 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.190 7.188 2.748 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.166 5.451 2.981 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.428 7.987 1.386 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.092 4.526 3.844 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.861 7.999 1.729 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.524 4.531 4.189 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.913 6.268 3.132 1.00 0.00 H new ATOM 815 N TYR A 53 -0.718 5.005 -0.110 1.00 0.00 N ATOM 816 CA TYR A 53 -2.131 4.722 -0.318 1.00 0.00 C ATOM 817 C TYR A 53 -2.489 3.335 0.197 1.00 0.00 C ATOM 818 O TYR A 53 -1.634 2.607 0.698 1.00 0.00 O ATOM 819 CB TYR A 53 -2.479 4.826 -1.803 1.00 0.00 C ATOM 820 CG TYR A 53 -2.595 6.245 -2.308 1.00 0.00 C ATOM 821 CD1 TYR A 53 -3.648 7.058 -1.907 1.00 0.00 C ATOM 822 CD2 TYR A 53 -1.662 6.769 -3.193 1.00 0.00 C ATOM 823 CE1 TYR A 53 -3.766 8.353 -2.373 1.00 0.00 C ATOM 824 CE2 TYR A 53 -1.772 8.064 -3.661 1.00 0.00 C ATOM 825 CZ TYR A 53 -2.826 8.851 -3.250 1.00 0.00 C ATOM 826 OH TYR A 53 -2.939 10.141 -3.714 1.00 0.00 O ATOM 0 H TYR A 53 -0.091 4.492 -0.730 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.708 5.460 0.239 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.716 4.306 -2.382 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.422 4.309 -1.982 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.386 6.671 -1.220 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.837 6.154 -3.521 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.591 8.972 -2.052 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.036 8.458 -4.346 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.196 10.336 -4.322 1.00 0.00 H new ATOM 836 N LYS A 54 -3.761 2.976 0.068 1.00 0.00 N ATOM 837 CA LYS A 54 -4.235 1.675 0.516 1.00 0.00 C ATOM 838 C LYS A 54 -5.197 1.073 -0.501 1.00 0.00 C ATOM 839 O LYS A 54 -5.841 1.793 -1.265 1.00 0.00 O ATOM 840 CB LYS A 54 -4.911 1.773 1.886 1.00 0.00 C ATOM 841 CG LYS A 54 -3.980 2.214 3.006 1.00 0.00 C ATOM 842 CD LYS A 54 -3.792 3.725 3.048 1.00 0.00 C ATOM 843 CE LYS A 54 -5.073 4.444 3.443 1.00 0.00 C ATOM 844 NZ LYS A 54 -5.508 4.090 4.823 1.00 0.00 N ATOM 0 H LYS A 54 -4.482 3.569 -0.344 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.368 1.022 0.609 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.742 2.476 1.820 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.335 0.802 2.141 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.380 1.874 3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.010 1.734 2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.003 3.973 3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.464 4.078 2.070 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.920 5.521 3.376 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.864 4.190 2.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.143 4.829 5.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.010 3.179 4.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.675 4.015 5.441 1.00 0.00 H new ATOM 858 N LEU A 55 -5.280 -0.251 -0.513 1.00 0.00 N ATOM 859 CA LEU A 55 -6.152 -0.959 -1.440 1.00 0.00 C ATOM 860 C LEU A 55 -7.293 -1.641 -0.697 1.00 0.00 C ATOM 861 O LEU A 55 -7.069 -2.502 0.155 1.00 0.00 O ATOM 862 CB LEU A 55 -5.341 -1.985 -2.235 1.00 0.00 C ATOM 863 CG LEU A 55 -6.061 -2.618 -3.430 1.00 0.00 C ATOM 864 CD1 LEU A 55 -7.185 -3.530 -2.964 1.00 0.00 C ATOM 865 CD2 LEU A 55 -6.599 -1.538 -4.356 1.00 0.00 C ATOM 0 H LEU A 55 -4.751 -0.859 0.112 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.586 -0.237 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.433 -1.502 -2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.032 -2.781 -1.557 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.341 -3.223 -3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.681 -3.968 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.774 -4.325 -2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.906 -2.952 -2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.108 -2.003 -5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.302 -0.908 -3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.773 -0.928 -4.722 1.00 0.00 H new ATOM 877 N ASP A 56 -8.518 -1.241 -1.021 1.00 0.00 N ATOM 878 CA ASP A 56 -9.697 -1.790 -0.391 1.00 0.00 C ATOM 879 C ASP A 56 -10.051 -3.159 -0.961 1.00 0.00 C ATOM 880 O ASP A 56 -10.521 -3.270 -2.092 1.00 0.00 O ATOM 881 CB ASP A 56 -10.857 -0.823 -0.584 1.00 0.00 C ATOM 882 CG ASP A 56 -10.530 0.574 -0.093 1.00 0.00 C ATOM 883 OD1 ASP A 56 -9.393 0.788 0.377 1.00 0.00 O ATOM 884 OD2 ASP A 56 -11.409 1.455 -0.177 1.00 0.00 O ATOM 0 H ASP A 56 -8.713 -0.530 -1.726 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.495 -1.923 0.672 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.121 -0.782 -1.641 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.731 -1.197 -0.052 1.00 0.00 H new ATOM 889 N VAL A 57 -9.832 -4.199 -0.162 1.00 0.00 N ATOM 890 CA VAL A 57 -10.138 -5.561 -0.578 1.00 0.00 C ATOM 891 C VAL A 57 -11.645 -5.823 -0.534 1.00 0.00 C ATOM 892 O VAL A 57 -12.111 -6.888 -0.941 1.00 0.00 O ATOM 893 CB VAL A 57 -9.402 -6.592 0.310 1.00 0.00 C ATOM 894 CG1 VAL A 57 -9.808 -8.017 -0.049 1.00 0.00 C ATOM 895 CG2 VAL A 57 -7.896 -6.420 0.174 1.00 0.00 C ATOM 0 H VAL A 57 -9.443 -4.123 0.778 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.792 -5.674 -1.606 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.687 -6.413 1.347 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.275 -8.720 0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.882 -8.137 0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.558 -8.215 -1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.388 -7.151 0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.605 -6.572 -0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.615 -5.414 0.487 1.00 0.00 H new ATOM 905 N ASP A 58 -12.405 -4.845 -0.041 1.00 0.00 N ATOM 906 CA ASP A 58 -13.854 -4.974 0.050 1.00 0.00 C ATOM 907 C ASP A 58 -14.509 -4.693 -1.298 1.00 0.00 C ATOM 908 O ASP A 58 -15.377 -5.442 -1.745 1.00 0.00 O ATOM 909 CB ASP A 58 -14.404 -4.011 1.104 1.00 0.00 C ATOM 910 CG ASP A 58 -15.903 -4.149 1.294 1.00 0.00 C ATOM 911 OD1 ASP A 58 -16.516 -4.989 0.601 1.00 0.00 O ATOM 912 OD2 ASP A 58 -16.464 -3.417 2.135 1.00 0.00 O ATOM 0 H ASP A 58 -12.039 -3.956 0.301 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.087 -5.998 0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.903 -4.193 2.054 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.171 -2.987 0.812 1.00 0.00 H new ATOM 917 N GLU A 59 -14.087 -3.608 -1.938 1.00 0.00 N ATOM 918 CA GLU A 59 -14.634 -3.226 -3.233 1.00 0.00 C ATOM 919 C GLU A 59 -13.728 -3.691 -4.372 1.00 0.00 C ATOM 920 O GLU A 59 -14.184 -3.877 -5.500 1.00 0.00 O ATOM 921 CB GLU A 59 -14.821 -1.708 -3.300 1.00 0.00 C ATOM 922 CG GLU A 59 -15.469 -1.228 -4.591 1.00 0.00 C ATOM 923 CD GLU A 59 -16.848 -1.816 -4.812 1.00 0.00 C ATOM 924 OE1 GLU A 59 -16.953 -3.055 -4.933 1.00 0.00 O ATOM 925 OE2 GLU A 59 -17.824 -1.039 -4.863 1.00 0.00 O ATOM 0 H GLU A 59 -13.368 -2.978 -1.581 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.603 -3.712 -3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.433 -1.389 -2.456 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.850 -1.226 -3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.542 -0.141 -4.573 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.828 -1.491 -5.433 1.00 0.00 H new ATOM 932 N LEU A 60 -12.445 -3.875 -4.072 1.00 0.00 N ATOM 933 CA LEU A 60 -11.483 -4.314 -5.076 1.00 0.00 C ATOM 934 C LEU A 60 -10.959 -5.712 -4.759 1.00 0.00 C ATOM 935 O LEU A 60 -9.749 -5.936 -4.705 1.00 0.00 O ATOM 936 CB LEU A 60 -10.313 -3.330 -5.168 1.00 0.00 C ATOM 937 CG LEU A 60 -10.691 -1.902 -5.565 1.00 0.00 C ATOM 938 CD1 LEU A 60 -11.568 -1.266 -4.499 1.00 0.00 C ATOM 939 CD2 LEU A 60 -9.440 -1.068 -5.799 1.00 0.00 C ATOM 0 H LEU A 60 -12.049 -3.727 -3.144 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.997 -4.346 -6.037 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.808 -3.300 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.594 -3.713 -5.892 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.258 -1.940 -6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.827 -0.251 -4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.479 -1.852 -4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.028 -1.238 -3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.726 -0.055 -6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.847 -1.037 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.850 -1.514 -6.599 1.00 0.00 H new ATOM 951 N GLY A 61 -11.876 -6.651 -4.554 1.00 0.00 N ATOM 952 CA GLY A 61 -11.484 -8.014 -4.252 1.00 0.00 C ATOM 953 C GLY A 61 -10.728 -8.672 -5.391 1.00 0.00 C ATOM 954 O GLY A 61 -10.087 -9.705 -5.204 1.00 0.00 O ATOM 0 H GLY A 61 -12.883 -6.492 -4.592 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.861 -8.019 -3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.373 -8.602 -4.024 1.00 0.00 H new ATOM 958 N ASP A 62 -10.805 -8.074 -6.578 1.00 0.00 N ATOM 959 CA ASP A 62 -10.126 -8.611 -7.751 1.00 0.00 C ATOM 960 C ASP A 62 -8.659 -8.196 -7.786 1.00 0.00 C ATOM 961 O ASP A 62 -7.825 -8.886 -8.373 1.00 0.00 O ATOM 962 CB ASP A 62 -10.823 -8.146 -9.020 1.00 0.00 C ATOM 963 CG ASP A 62 -12.271 -8.592 -9.087 1.00 0.00 C ATOM 964 OD1 ASP A 62 -13.051 -8.217 -8.187 1.00 0.00 O ATOM 965 OD2 ASP A 62 -12.623 -9.318 -10.040 1.00 0.00 O ATOM 0 H ASP A 62 -11.331 -7.218 -6.751 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.170 -9.698 -7.690 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.779 -7.058 -9.077 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.287 -8.533 -9.887 1.00 0.00 H new ATOM 970 N VAL A 63 -8.347 -7.064 -7.160 1.00 0.00 N ATOM 971 CA VAL A 63 -6.977 -6.562 -7.131 1.00 0.00 C ATOM 972 C VAL A 63 -6.143 -7.312 -6.090 1.00 0.00 C ATOM 973 O VAL A 63 -4.919 -7.377 -6.190 1.00 0.00 O ATOM 974 CB VAL A 63 -6.940 -5.048 -6.839 1.00 0.00 C ATOM 975 CG1 VAL A 63 -5.551 -4.484 -7.095 1.00 0.00 C ATOM 976 CG2 VAL A 63 -7.980 -4.316 -7.676 1.00 0.00 C ATOM 0 H VAL A 63 -9.022 -6.479 -6.668 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.547 -6.733 -8.118 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.179 -4.897 -5.786 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.548 -3.415 -6.883 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.830 -4.985 -6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.278 -4.648 -8.138 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.939 -3.249 -7.456 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.774 -4.477 -8.734 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.973 -4.697 -7.438 1.00 0.00 H new ATOM 986 N ALA A 64 -6.816 -7.902 -5.107 1.00 0.00 N ATOM 987 CA ALA A 64 -6.136 -8.681 -4.074 1.00 0.00 C ATOM 988 C ALA A 64 -5.826 -10.074 -4.608 1.00 0.00 C ATOM 989 O ALA A 64 -4.897 -10.738 -4.150 1.00 0.00 O ATOM 990 CB ALA A 64 -7.000 -8.770 -2.825 1.00 0.00 C ATOM 0 H ALA A 64 -7.830 -7.857 -5.003 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.202 -8.186 -3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.481 -9.353 -2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.194 -7.767 -2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.945 -9.254 -3.070 1.00 0.00 H new ATOM 996 N GLN A 65 -6.614 -10.504 -5.594 1.00 0.00 N ATOM 997 CA GLN A 65 -6.432 -11.809 -6.212 1.00 0.00 C ATOM 998 C GLN A 65 -5.484 -11.716 -7.404 1.00 0.00 C ATOM 999 O GLN A 65 -4.752 -12.661 -7.700 1.00 0.00 O ATOM 1000 CB GLN A 65 -7.782 -12.375 -6.662 1.00 0.00 C ATOM 1001 CG GLN A 65 -7.679 -13.736 -7.334 1.00 0.00 C ATOM 1002 CD GLN A 65 -9.025 -14.262 -7.794 1.00 0.00 C ATOM 1003 OE1 GLN A 65 -9.705 -13.634 -8.606 1.00 0.00 O ATOM 1004 NE2 GLN A 65 -9.416 -15.421 -7.278 1.00 0.00 N ATOM 0 H GLN A 65 -7.387 -9.962 -5.980 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.994 -12.478 -5.472 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.439 -12.456 -5.796 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.249 -11.673 -7.353 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.009 -13.664 -8.191 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.233 -14.448 -6.639 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.821 -15.908 -6.608 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.312 -15.825 -7.552 1.00 0.00 H new ATOM 1013 N LYS A 66 -5.498 -10.571 -8.088 1.00 0.00 N ATOM 1014 CA LYS A 66 -4.631 -10.370 -9.245 1.00 0.00 C ATOM 1015 C LYS A 66 -3.169 -10.519 -8.836 1.00 0.00 C ATOM 1016 O LYS A 66 -2.397 -11.225 -9.485 1.00 0.00 O ATOM 1017 CB LYS A 66 -4.871 -8.991 -9.879 1.00 0.00 C ATOM 1018 CG LYS A 66 -4.270 -7.836 -9.095 1.00 0.00 C ATOM 1019 CD LYS A 66 -4.584 -6.486 -9.727 1.00 0.00 C ATOM 1020 CE LYS A 66 -3.930 -6.326 -11.094 1.00 0.00 C ATOM 1021 NZ LYS A 66 -4.588 -7.157 -12.140 1.00 0.00 N ATOM 0 H LYS A 66 -6.096 -9.776 -7.862 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.870 -11.130 -9.989 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.454 -8.988 -10.886 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.945 -8.830 -9.978 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.651 -7.855 -8.074 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.189 -7.964 -9.034 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.664 -6.376 -9.827 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.242 -5.689 -9.067 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.967 -5.278 -11.391 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.878 -6.601 -11.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.022 -8.013 -12.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.539 -7.429 -11.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.662 -6.610 -13.022 1.00 0.00 H new ATOM 1035 N ASN A 67 -2.802 -9.852 -7.746 1.00 0.00 N ATOM 1036 CA ASN A 67 -1.453 -9.903 -7.227 1.00 0.00 C ATOM 1037 C ASN A 67 -1.272 -11.092 -6.283 1.00 0.00 C ATOM 1038 O ASN A 67 -0.189 -11.305 -5.738 1.00 0.00 O ATOM 1039 CB ASN A 67 -1.152 -8.605 -6.490 1.00 0.00 C ATOM 1040 CG ASN A 67 -1.148 -7.403 -7.413 1.00 0.00 C ATOM 1041 OD1 ASN A 67 -0.361 -7.334 -8.357 1.00 0.00 O ATOM 1042 ND2 ASN A 67 -2.028 -6.445 -7.142 1.00 0.00 N ATOM 0 H ASN A 67 -3.435 -9.264 -7.204 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.761 -10.026 -8.060 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.894 -8.455 -5.706 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.182 -8.686 -5.999 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.070 -5.611 -7.727 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.662 -6.544 -6.349 1.00 0.00 H new ATOM 1049 N GLU A 68 -2.341 -11.864 -6.093 1.00 0.00 N ATOM 1050 CA GLU A 68 -2.302 -13.027 -5.217 1.00 0.00 C ATOM 1051 C GLU A 68 -1.996 -12.620 -3.779 1.00 0.00 C ATOM 1052 O GLU A 68 -1.223 -13.285 -3.089 1.00 0.00 O ATOM 1053 CB GLU A 68 -1.258 -14.026 -5.715 1.00 0.00 C ATOM 1054 CG GLU A 68 -1.521 -14.522 -7.126 1.00 0.00 C ATOM 1055 CD GLU A 68 -2.818 -15.298 -7.240 1.00 0.00 C ATOM 1056 OE1 GLU A 68 -2.958 -16.325 -6.542 1.00 0.00 O ATOM 1057 OE2 GLU A 68 -3.693 -14.880 -8.026 1.00 0.00 O ATOM 0 H GLU A 68 -3.245 -11.702 -6.536 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.284 -13.499 -5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.274 -13.559 -5.680 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.230 -14.879 -5.037 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.550 -13.671 -7.806 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.694 -15.156 -7.444 1.00 0.00 H new ATOM 1064 N VAL A 69 -2.603 -11.524 -3.330 1.00 0.00 N ATOM 1065 CA VAL A 69 -2.387 -11.041 -1.974 1.00 0.00 C ATOM 1066 C VAL A 69 -3.601 -11.314 -1.094 1.00 0.00 C ATOM 1067 O VAL A 69 -4.686 -10.787 -1.339 1.00 0.00 O ATOM 1068 CB VAL A 69 -2.086 -9.532 -1.961 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -1.789 -9.057 -0.547 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -0.927 -9.212 -2.893 1.00 0.00 C ATOM 0 H VAL A 69 -3.245 -10.958 -3.885 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.527 -11.580 -1.577 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.968 -9.001 -2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.579 -7.988 -0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.652 -9.250 0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.923 -9.593 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.728 -8.141 -2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.038 -9.753 -2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.183 -9.513 -3.909 1.00 0.00 H new ATOM 1080 N SER A 70 -3.415 -12.140 -0.067 1.00 0.00 N ATOM 1081 CA SER A 70 -4.504 -12.473 0.843 1.00 0.00 C ATOM 1082 C SER A 70 -3.992 -12.770 2.252 1.00 0.00 C ATOM 1083 O SER A 70 -4.697 -13.378 3.057 1.00 0.00 O ATOM 1084 CB SER A 70 -5.290 -13.673 0.311 1.00 0.00 C ATOM 1085 OG SER A 70 -4.471 -14.827 0.239 1.00 0.00 O ATOM 0 H SER A 70 -2.526 -12.588 0.154 1.00 0.00 H new ATOM 0 HA SER A 70 -5.161 -11.605 0.901 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.144 -13.869 0.960 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.687 -13.443 -0.678 1.00 0.00 H new ATOM 0 HG SER A 70 -4.997 -15.580 -0.102 1.00 0.00 H new ATOM 1091 N ALA A 71 -2.772 -12.330 2.556 1.00 0.00 N ATOM 1092 CA ALA A 71 -2.197 -12.548 3.879 1.00 0.00 C ATOM 1093 C ALA A 71 -2.911 -11.697 4.927 1.00 0.00 C ATOM 1094 O ALA A 71 -2.808 -11.953 6.126 1.00 0.00 O ATOM 1095 CB ALA A 71 -0.705 -12.253 3.868 1.00 0.00 C ATOM 0 H ALA A 71 -2.168 -11.824 1.908 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.336 -13.596 4.144 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.294 -12.421 4.863 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.209 -12.911 3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.541 -11.215 3.578 1.00 0.00 H new ATOM 1101 N MET A 72 -3.648 -10.693 4.453 1.00 0.00 N ATOM 1102 CA MET A 72 -4.417 -9.796 5.316 1.00 0.00 C ATOM 1103 C MET A 72 -3.655 -9.339 6.560 1.00 0.00 C ATOM 1104 O MET A 72 -3.685 -10.014 7.588 1.00 0.00 O ATOM 1105 CB MET A 72 -5.714 -10.478 5.759 1.00 0.00 C ATOM 1106 CG MET A 72 -5.504 -11.815 6.458 1.00 0.00 C ATOM 1107 SD MET A 72 -6.926 -12.321 7.439 1.00 0.00 S ATOM 1108 CE MET A 72 -6.347 -13.884 8.095 1.00 0.00 C ATOM 0 H MET A 72 -3.729 -10.478 3.459 1.00 0.00 H new ATOM 0 HA MET A 72 -4.623 -8.909 4.717 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.253 -9.809 6.430 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.348 -10.632 4.886 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.292 -12.581 5.712 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.628 -11.749 7.104 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.120 -14.323 8.726 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.122 -14.563 7.272 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.446 -13.719 8.686 1.00 0.00 H new ATOM 1118 N PRO A 73 -2.970 -8.180 6.514 1.00 0.00 N ATOM 1119 CA PRO A 73 -2.873 -7.303 5.340 1.00 0.00 C ATOM 1120 C PRO A 73 -1.644 -7.614 4.482 1.00 0.00 C ATOM 1121 O PRO A 73 -1.111 -8.721 4.527 1.00 0.00 O ATOM 1122 CB PRO A 73 -2.714 -5.948 6.010 1.00 0.00 C ATOM 1123 CG PRO A 73 -1.815 -6.249 7.154 1.00 0.00 C ATOM 1124 CD PRO A 73 -2.211 -7.621 7.644 1.00 0.00 C ATOM 0 HA PRO A 73 -3.718 -7.395 4.657 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.277 -5.212 5.335 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.671 -5.547 6.343 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.770 -6.232 6.844 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.926 -5.506 7.943 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.339 -8.230 7.883 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.818 -7.565 8.548 1.00 0.00 H new ATOM 1132 N THR A 74 -1.191 -6.623 3.707 1.00 0.00 N ATOM 1133 CA THR A 74 -0.015 -6.786 2.850 1.00 0.00 C ATOM 1134 C THR A 74 0.507 -5.430 2.374 1.00 0.00 C ATOM 1135 O THR A 74 -0.206 -4.431 2.424 1.00 0.00 O ATOM 1136 CB THR A 74 -0.354 -7.653 1.636 1.00 0.00 C ATOM 1137 OG1 THR A 74 -0.810 -8.934 2.042 1.00 0.00 O ATOM 1138 CG2 THR A 74 0.821 -7.844 0.692 1.00 0.00 C ATOM 0 H THR A 74 -1.622 -5.700 3.657 1.00 0.00 H new ATOM 0 HA THR A 74 0.760 -7.275 3.439 1.00 0.00 H new ATOM 0 HB THR A 74 -1.138 -7.116 1.103 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.787 -8.923 2.124 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.515 -8.468 -0.148 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.152 -6.874 0.322 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.640 -8.328 1.224 1.00 0.00 H new ATOM 1146 N LEU A 75 1.751 -5.403 1.899 1.00 0.00 N ATOM 1147 CA LEU A 75 2.352 -4.168 1.403 1.00 0.00 C ATOM 1148 C LEU A 75 2.827 -4.337 -0.038 1.00 0.00 C ATOM 1149 O LEU A 75 3.626 -5.225 -0.336 1.00 0.00 O ATOM 1150 CB LEU A 75 3.532 -3.741 2.279 1.00 0.00 C ATOM 1151 CG LEU A 75 3.201 -3.464 3.745 1.00 0.00 C ATOM 1152 CD1 LEU A 75 4.432 -2.953 4.473 1.00 0.00 C ATOM 1153 CD2 LEU A 75 2.057 -2.468 3.857 1.00 0.00 C ATOM 0 H LEU A 75 2.360 -6.220 1.847 1.00 0.00 H new ATOM 0 HA LEU A 75 1.586 -3.394 1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.292 -4.521 2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.974 -2.842 1.849 1.00 0.00 H new ATOM 0 HG LEU A 75 2.885 -4.396 4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.183 -2.759 5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.222 -3.702 4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.775 -2.031 4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.836 -2.284 4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.341 -1.532 3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.172 -2.873 3.366 1.00 0.00 H new ATOM 1165 N LEU A 76 2.337 -3.479 -0.926 1.00 0.00 N ATOM 1166 CA LEU A 76 2.721 -3.532 -2.334 1.00 0.00 C ATOM 1167 C LEU A 76 3.406 -2.238 -2.763 1.00 0.00 C ATOM 1168 O LEU A 76 2.914 -1.143 -2.490 1.00 0.00 O ATOM 1169 CB LEU A 76 1.496 -3.805 -3.216 1.00 0.00 C ATOM 1170 CG LEU A 76 0.887 -5.203 -3.067 1.00 0.00 C ATOM 1171 CD1 LEU A 76 -0.135 -5.466 -4.163 1.00 0.00 C ATOM 1172 CD2 LEU A 76 1.976 -6.270 -3.085 1.00 0.00 C ATOM 0 H LEU A 76 1.674 -2.739 -0.697 1.00 0.00 H new ATOM 0 HA LEU A 76 3.430 -4.350 -2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.729 -3.065 -2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.778 -3.658 -4.259 1.00 0.00 H new ATOM 0 HG LEU A 76 0.377 -5.249 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.554 -6.464 -4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.933 -4.727 -4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.350 -5.396 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.522 -7.255 -2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.518 -6.221 -4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.668 -6.098 -2.260 1.00 0.00 H new ATOM 1184 N LEU A 77 4.550 -2.372 -3.431 1.00 0.00 N ATOM 1185 CA LEU A 77 5.309 -1.215 -3.893 1.00 0.00 C ATOM 1186 C LEU A 77 5.248 -1.091 -5.414 1.00 0.00 C ATOM 1187 O LEU A 77 5.363 -2.084 -6.134 1.00 0.00 O ATOM 1188 CB LEU A 77 6.769 -1.310 -3.432 1.00 0.00 C ATOM 1189 CG LEU A 77 6.976 -1.332 -1.916 1.00 0.00 C ATOM 1190 CD1 LEU A 77 6.340 -2.569 -1.300 1.00 0.00 C ATOM 1191 CD2 LEU A 77 8.460 -1.273 -1.582 1.00 0.00 C ATOM 0 H LEU A 77 4.971 -3.272 -3.664 1.00 0.00 H new ATOM 0 HA LEU A 77 4.858 -0.324 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.208 -2.213 -3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.319 -0.464 -3.845 1.00 0.00 H new ATOM 0 HG LEU A 77 6.489 -0.454 -1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.500 -2.562 -0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.270 -2.570 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.793 -3.463 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.590 -1.289 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.966 -2.132 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.887 -0.355 -1.985 1.00 0.00 H new ATOM 1203 N PHE A 78 5.059 0.135 -5.889 1.00 0.00 N ATOM 1204 CA PHE A 78 4.969 0.409 -7.321 1.00 0.00 C ATOM 1205 C PHE A 78 5.771 1.662 -7.672 1.00 0.00 C ATOM 1206 O PHE A 78 5.559 2.717 -7.078 1.00 0.00 O ATOM 1207 CB PHE A 78 3.502 0.607 -7.706 1.00 0.00 C ATOM 1208 CG PHE A 78 2.623 -0.551 -7.322 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.684 -1.749 -8.015 1.00 0.00 C ATOM 1210 CD2 PHE A 78 1.748 -0.445 -6.253 1.00 0.00 C ATOM 1211 CE1 PHE A 78 1.885 -2.817 -7.651 1.00 0.00 C ATOM 1212 CE2 PHE A 78 0.948 -1.509 -5.886 1.00 0.00 C ATOM 1213 CZ PHE A 78 1.016 -2.696 -6.585 1.00 0.00 C ATOM 0 H PHE A 78 4.964 0.962 -5.299 1.00 0.00 H new ATOM 0 HA PHE A 78 5.382 -0.435 -7.874 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.127 1.512 -7.228 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.434 0.764 -8.783 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.363 -1.850 -8.849 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.691 0.481 -5.700 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.941 -3.745 -8.200 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.269 -1.412 -5.052 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.391 -3.529 -6.299 1.00 0.00 H new ATOM 1223 N LYS A 79 6.690 1.554 -8.635 1.00 0.00 N ATOM 1224 CA LYS A 79 7.500 2.714 -9.027 1.00 0.00 C ATOM 1225 C LYS A 79 7.183 3.167 -10.450 1.00 0.00 C ATOM 1226 O LYS A 79 7.231 2.376 -11.390 1.00 0.00 O ATOM 1227 CB LYS A 79 8.996 2.403 -8.901 1.00 0.00 C ATOM 1228 CG LYS A 79 9.530 2.478 -7.476 1.00 0.00 C ATOM 1229 CD LYS A 79 11.049 2.374 -7.432 1.00 0.00 C ATOM 1230 CE LYS A 79 11.550 1.047 -7.989 1.00 0.00 C ATOM 1231 NZ LYS A 79 11.417 0.968 -9.472 1.00 0.00 N ATOM 0 H LYS A 79 6.891 0.696 -9.149 1.00 0.00 H new ATOM 0 HA LYS A 79 7.247 3.527 -8.346 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.183 1.404 -9.295 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.555 3.101 -9.524 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.217 3.417 -7.020 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.094 1.675 -6.882 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.485 3.194 -8.003 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.390 2.486 -6.403 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.596 0.911 -7.713 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.991 0.230 -7.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.629 0.335 -9.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.230 1.917 -9.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.299 0.597 -9.880 1.00 0.00 H new ATOM 1245 N ASN A 80 6.865 4.457 -10.603 1.00 0.00 N ATOM 1246 CA ASN A 80 6.549 5.024 -11.912 1.00 0.00 C ATOM 1247 C ASN A 80 5.579 4.136 -12.691 1.00 0.00 C ATOM 1248 O ASN A 80 5.974 3.446 -13.627 1.00 0.00 O ATOM 1249 CB ASN A 80 7.832 5.226 -12.723 1.00 0.00 C ATOM 1250 CG ASN A 80 8.803 6.169 -12.039 1.00 0.00 C ATOM 1251 OD1 ASN A 80 8.484 7.331 -11.786 1.00 0.00 O ATOM 1252 ND2 ASN A 80 9.997 5.672 -11.739 1.00 0.00 N ATOM 0 H ASN A 80 6.820 5.126 -9.834 1.00 0.00 H new ATOM 0 HA ASN A 80 6.066 5.987 -11.747 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.315 4.262 -12.880 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.579 5.620 -13.707 1.00 0.00 H new ATOM 0 HD21 ASN A 80 10.693 6.259 -11.280 1.00 0.00 H new ATOM 0 HD22 ASN A 80 10.218 4.703 -11.967 1.00 0.00 H new ATOM 1259 N GLY A 81 4.308 4.171 -12.298 1.00 0.00 N ATOM 1260 CA GLY A 81 3.282 3.382 -12.958 1.00 0.00 C ATOM 1261 C GLY A 81 3.732 1.979 -13.318 1.00 0.00 C ATOM 1262 O GLY A 81 3.390 1.464 -14.383 1.00 0.00 O ATOM 0 H GLY A 81 3.968 4.740 -11.523 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.410 3.319 -12.308 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.967 3.897 -13.865 1.00 0.00 H new ATOM 1266 N LYS A 82 4.493 1.355 -12.427 1.00 0.00 N ATOM 1267 CA LYS A 82 4.982 0.002 -12.653 1.00 0.00 C ATOM 1268 C LYS A 82 4.996 -0.771 -11.338 1.00 0.00 C ATOM 1269 O LYS A 82 4.284 -0.420 -10.399 1.00 0.00 O ATOM 1270 CB LYS A 82 6.378 0.046 -13.294 1.00 0.00 C ATOM 1271 CG LYS A 82 6.384 0.651 -14.689 1.00 0.00 C ATOM 1272 CD LYS A 82 5.559 -0.176 -15.663 1.00 0.00 C ATOM 1273 CE LYS A 82 6.107 -1.588 -15.801 1.00 0.00 C ATOM 1274 NZ LYS A 82 5.319 -2.400 -16.770 1.00 0.00 N ATOM 0 H LYS A 82 4.785 1.766 -11.540 1.00 0.00 H new ATOM 0 HA LYS A 82 4.314 -0.516 -13.342 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.046 0.622 -12.653 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.779 -0.966 -13.344 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.989 1.666 -14.647 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.410 0.723 -15.050 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.525 -0.218 -15.321 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.552 0.309 -16.639 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.146 -1.543 -16.126 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.099 -2.077 -14.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.726 -3.355 -16.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.333 -2.465 -16.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.348 -1.948 -17.706 1.00 0.00 H new ATOM 1288 N GLU A 83 5.793 -1.823 -11.275 1.00 0.00 N ATOM 1289 CA GLU A 83 5.883 -2.644 -10.078 1.00 0.00 C ATOM 1290 C GLU A 83 7.229 -2.421 -9.395 1.00 0.00 C ATOM 1291 O GLU A 83 8.074 -1.684 -9.908 1.00 0.00 O ATOM 1292 CB GLU A 83 5.700 -4.119 -10.472 1.00 0.00 C ATOM 1293 CG GLU A 83 5.722 -5.099 -9.310 1.00 0.00 C ATOM 1294 CD GLU A 83 5.329 -6.504 -9.725 1.00 0.00 C ATOM 1295 OE1 GLU A 83 5.037 -6.712 -10.922 1.00 0.00 O ATOM 1296 OE2 GLU A 83 5.312 -7.397 -8.852 1.00 0.00 O ATOM 0 H GLU A 83 6.390 -2.131 -12.042 1.00 0.00 H new ATOM 0 HA GLU A 83 5.100 -2.366 -9.373 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.752 -4.224 -10.999 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.487 -4.393 -11.174 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.721 -5.119 -8.875 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.042 -4.750 -8.532 1.00 0.00 H new ATOM 1303 N VAL A 84 7.418 -3.032 -8.229 1.00 0.00 N ATOM 1304 CA VAL A 84 8.661 -2.889 -7.486 1.00 0.00 C ATOM 1305 C VAL A 84 8.963 -4.147 -6.683 1.00 0.00 C ATOM 1306 O VAL A 84 9.937 -4.850 -6.952 1.00 0.00 O ATOM 1307 CB VAL A 84 8.631 -1.701 -6.535 1.00 0.00 C ATOM 1308 CG1 VAL A 84 10.019 -1.430 -5.983 1.00 0.00 C ATOM 1309 CG2 VAL A 84 8.064 -0.467 -7.216 1.00 0.00 C ATOM 0 H VAL A 84 6.725 -3.631 -7.780 1.00 0.00 H new ATOM 0 HA VAL A 84 9.442 -2.723 -8.228 1.00 0.00 H new ATOM 0 HB VAL A 84 7.973 -1.948 -5.702 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.981 -0.578 -5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.374 -2.308 -5.443 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.701 -1.210 -6.805 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.055 0.365 -6.512 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.683 -0.209 -8.075 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.047 -0.671 -7.550 1.00 0.00 H new ATOM 1319 N ALA A 85 8.118 -4.424 -5.695 1.00 0.00 N ATOM 1320 CA ALA A 85 8.290 -5.598 -4.851 1.00 0.00 C ATOM 1321 C ALA A 85 7.071 -5.820 -3.963 1.00 0.00 C ATOM 1322 O ALA A 85 6.341 -4.880 -3.649 1.00 0.00 O ATOM 1323 CB ALA A 85 9.543 -5.457 -4.001 1.00 0.00 C ATOM 0 H ALA A 85 7.308 -3.851 -5.460 1.00 0.00 H new ATOM 0 HA ALA A 85 8.398 -6.467 -5.499 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.659 -6.342 -3.375 1.00 0.00 H new ATOM 0 HB2 ALA A 85 10.413 -5.354 -4.650 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.456 -4.574 -3.368 1.00 0.00 H new ATOM 1329 N LYS A 86 6.857 -7.068 -3.560 1.00 0.00 N ATOM 1330 CA LYS A 86 5.728 -7.412 -2.704 1.00 0.00 C ATOM 1331 C LYS A 86 6.212 -7.968 -1.370 1.00 0.00 C ATOM 1332 O LYS A 86 6.921 -8.974 -1.327 1.00 0.00 O ATOM 1333 CB LYS A 86 4.821 -8.428 -3.400 1.00 0.00 C ATOM 1334 CG LYS A 86 5.524 -9.727 -3.761 1.00 0.00 C ATOM 1335 CD LYS A 86 4.586 -10.689 -4.473 1.00 0.00 C ATOM 1336 CE LYS A 86 3.395 -11.056 -3.602 1.00 0.00 C ATOM 1337 NZ LYS A 86 2.478 -12.008 -4.287 1.00 0.00 N ATOM 0 H LYS A 86 7.451 -7.858 -3.813 1.00 0.00 H new ATOM 0 HA LYS A 86 5.157 -6.504 -2.513 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.975 -8.651 -2.750 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.417 -7.979 -4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.381 -9.513 -4.400 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.910 -10.196 -2.856 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.234 -10.236 -5.400 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.130 -11.593 -4.747 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.749 -11.499 -2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.847 -10.152 -3.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.127 -12.707 -3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.674 -11.486 -4.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.991 -12.497 -5.048 1.00 0.00 H new ATOM 1351 N VAL A 87 5.832 -7.305 -0.283 1.00 0.00 N ATOM 1352 CA VAL A 87 6.234 -7.734 1.050 1.00 0.00 C ATOM 1353 C VAL A 87 5.081 -7.606 2.040 1.00 0.00 C ATOM 1354 O VAL A 87 4.872 -6.547 2.629 1.00 0.00 O ATOM 1355 CB VAL A 87 7.433 -6.912 1.565 1.00 0.00 C ATOM 1356 CG1 VAL A 87 7.882 -7.410 2.931 1.00 0.00 C ATOM 1357 CG2 VAL A 87 8.581 -6.959 0.569 1.00 0.00 C ATOM 0 H VAL A 87 5.247 -6.470 -0.300 1.00 0.00 H new ATOM 0 HA VAL A 87 6.526 -8.781 0.972 1.00 0.00 H new ATOM 0 HB VAL A 87 7.116 -5.875 1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.729 -6.816 3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.060 -7.315 3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.179 -8.456 2.857 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.418 -6.373 0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.897 -7.992 0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 87 8.253 -6.545 -0.384 1.00 0.00 H new ATOM 1367 N VAL A 88 4.339 -8.692 2.224 1.00 0.00 N ATOM 1368 CA VAL A 88 3.216 -8.690 3.151 1.00 0.00 C ATOM 1369 C VAL A 88 3.700 -8.552 4.591 1.00 0.00 C ATOM 1370 O VAL A 88 4.470 -9.377 5.082 1.00 0.00 O ATOM 1371 CB VAL A 88 2.365 -9.969 3.012 1.00 0.00 C ATOM 1372 CG1 VAL A 88 3.236 -11.210 3.147 1.00 0.00 C ATOM 1373 CG2 VAL A 88 1.245 -9.981 4.044 1.00 0.00 C ATOM 0 H VAL A 88 4.494 -9.580 1.746 1.00 0.00 H new ATOM 0 HA VAL A 88 2.593 -7.832 2.899 1.00 0.00 H new ATOM 0 HB VAL A 88 1.915 -9.976 2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.617 -12.102 3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.998 -11.207 2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.718 -11.212 4.125 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.655 -10.891 3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.673 -9.949 5.046 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.604 -9.112 3.895 1.00 0.00 H new ATOM 1383 N GLY A 89 3.242 -7.498 5.259 1.00 0.00 N ATOM 1384 CA GLY A 89 3.636 -7.261 6.635 1.00 0.00 C ATOM 1385 C GLY A 89 4.281 -5.902 6.821 1.00 0.00 C ATOM 1386 O GLY A 89 5.449 -5.711 6.483 1.00 0.00 O ATOM 0 H GLY A 89 2.604 -6.803 4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.760 -7.337 7.280 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.332 -8.038 6.950 1.00 0.00 H new ATOM 1390 N ALA A 90 3.519 -4.954 7.358 1.00 0.00 N ATOM 1391 CA ALA A 90 4.025 -3.606 7.586 1.00 0.00 C ATOM 1392 C ALA A 90 4.555 -3.449 9.006 1.00 0.00 C ATOM 1393 O ALA A 90 4.395 -2.399 9.627 1.00 0.00 O ATOM 1394 CB ALA A 90 2.936 -2.580 7.309 1.00 0.00 C ATOM 0 H ALA A 90 2.550 -5.095 7.643 1.00 0.00 H new ATOM 0 HA ALA A 90 4.853 -3.435 6.898 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.328 -1.578 7.483 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.609 -2.667 6.273 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.090 -2.759 7.972 1.00 0.00 H new ATOM 1400 N ASN A 91 5.192 -4.498 9.507 1.00 0.00 N ATOM 1401 CA ASN A 91 5.758 -4.478 10.849 1.00 0.00 C ATOM 1402 C ASN A 91 7.136 -3.823 10.825 1.00 0.00 C ATOM 1403 O ASN A 91 7.950 -4.127 9.954 1.00 0.00 O ATOM 1404 CB ASN A 91 5.863 -5.904 11.398 1.00 0.00 C ATOM 1405 CG ASN A 91 6.400 -5.947 12.815 1.00 0.00 C ATOM 1406 OD1 ASN A 91 5.783 -5.424 13.741 1.00 0.00 O ATOM 1407 ND2 ASN A 91 7.558 -6.574 12.990 1.00 0.00 N ATOM 0 H ASN A 91 5.330 -5.375 9.004 1.00 0.00 H new ATOM 0 HA ASN A 91 5.103 -3.899 11.499 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.879 -6.372 11.372 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.513 -6.492 10.750 1.00 0.00 H new ATOM 0 HD21 ASN A 91 7.969 -6.635 13.921 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.036 -6.994 12.193 1.00 0.00 H new ATOM 1414 N PRO A 92 7.420 -2.910 11.776 1.00 0.00 N ATOM 1415 CA PRO A 92 8.709 -2.214 11.848 1.00 0.00 C ATOM 1416 C PRO A 92 9.891 -3.133 11.557 1.00 0.00 C ATOM 1417 O PRO A 92 10.450 -3.750 12.464 1.00 0.00 O ATOM 1418 CB PRO A 92 8.741 -1.728 13.292 1.00 0.00 C ATOM 1419 CG PRO A 92 7.314 -1.445 13.604 1.00 0.00 C ATOM 1420 CD PRO A 92 6.510 -2.478 12.855 1.00 0.00 C ATOM 0 HA PRO A 92 8.796 -1.420 11.107 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.154 -2.484 13.959 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.358 -0.836 13.400 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.129 -1.510 14.676 1.00 0.00 H new ATOM 0 HG3 PRO A 92 7.040 -0.437 13.293 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.228 -3.311 13.499 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.587 -2.056 12.457 1.00 0.00 H new ATOM 1428 N ALA A 93 10.261 -3.224 10.282 1.00 0.00 N ATOM 1429 CA ALA A 93 11.372 -4.072 9.866 1.00 0.00 C ATOM 1430 C ALA A 93 11.584 -4.007 8.355 1.00 0.00 C ATOM 1431 O ALA A 93 12.714 -4.117 7.878 1.00 0.00 O ATOM 1432 CB ALA A 93 11.132 -5.510 10.302 1.00 0.00 C ATOM 0 H ALA A 93 9.807 -2.720 9.520 1.00 0.00 H new ATOM 0 HA ALA A 93 12.276 -3.701 10.349 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.970 -6.131 9.984 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.041 -5.551 11.387 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.213 -5.880 9.847 1.00 0.00 H new ATOM 1438 N ALA A 94 10.498 -3.837 7.602 1.00 0.00 N ATOM 1439 CA ALA A 94 10.590 -3.769 6.148 1.00 0.00 C ATOM 1440 C ALA A 94 9.810 -2.588 5.586 1.00 0.00 C ATOM 1441 O ALA A 94 10.292 -1.893 4.690 1.00 0.00 O ATOM 1442 CB ALA A 94 10.111 -5.071 5.522 1.00 0.00 C ATOM 0 H ALA A 94 9.552 -3.745 7.973 1.00 0.00 H new ATOM 0 HA ALA A 94 11.639 -3.620 5.893 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.187 -5.002 4.437 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.730 -5.895 5.877 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.073 -5.249 5.803 1.00 0.00 H new ATOM 1448 N ILE A 95 8.613 -2.353 6.109 1.00 0.00 N ATOM 1449 CA ILE A 95 7.791 -1.243 5.647 1.00 0.00 C ATOM 1450 C ILE A 95 8.555 0.083 5.708 1.00 0.00 C ATOM 1451 O ILE A 95 8.134 1.073 5.113 1.00 0.00 O ATOM 1452 CB ILE A 95 6.497 -1.129 6.478 1.00 0.00 C ATOM 1453 CG1 ILE A 95 5.637 0.046 6.005 1.00 0.00 C ATOM 1454 CG2 ILE A 95 6.830 -0.982 7.955 1.00 0.00 C ATOM 1455 CD1 ILE A 95 5.236 -0.035 4.546 1.00 0.00 C ATOM 0 H ILE A 95 8.192 -2.914 6.850 1.00 0.00 H new ATOM 0 HA ILE A 95 7.531 -1.449 4.609 1.00 0.00 H new ATOM 0 HB ILE A 95 5.922 -2.044 6.335 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.736 0.094 6.617 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.184 0.974 6.170 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.907 -0.903 8.530 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.392 -1.854 8.290 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.429 -0.084 8.105 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.629 0.832 4.287 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.130 -0.051 3.923 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.660 -0.945 4.377 1.00 0.00 H new ATOM 1467 N LYS A 96 9.679 0.101 6.424 1.00 0.00 N ATOM 1468 CA LYS A 96 10.486 1.298 6.539 1.00 0.00 C ATOM 1469 C LYS A 96 11.566 1.337 5.457 1.00 0.00 C ATOM 1470 O LYS A 96 11.596 2.244 4.626 1.00 0.00 O ATOM 1471 CB LYS A 96 11.094 1.367 7.944 1.00 0.00 C ATOM 1472 CG LYS A 96 12.482 1.968 7.981 1.00 0.00 C ATOM 1473 CD LYS A 96 12.988 2.132 9.405 1.00 0.00 C ATOM 1474 CE LYS A 96 14.341 2.827 9.438 1.00 0.00 C ATOM 1475 NZ LYS A 96 15.371 2.079 8.665 1.00 0.00 N ATOM 0 H LYS A 96 10.045 -0.705 6.931 1.00 0.00 H new ATOM 0 HA LYS A 96 9.854 2.173 6.389 1.00 0.00 H new ATOM 0 HB2 LYS A 96 10.437 1.954 8.585 1.00 0.00 H new ATOM 0 HB3 LYS A 96 11.133 0.361 8.363 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.169 1.332 7.422 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.471 2.939 7.485 1.00 0.00 H new ATOM 0 HD2 LYS A 96 12.267 2.709 9.985 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.068 1.154 9.879 1.00 0.00 H new ATOM 0 HE2 LYS A 96 14.242 3.833 9.031 1.00 0.00 H new ATOM 0 HE3 LYS A 96 14.669 2.933 10.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 16.291 2.160 9.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 15.099 1.077 8.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 15.443 2.477 7.707 1.00 0.00 H new ATOM 1489 N GLN A 97 12.456 0.349 5.488 1.00 0.00 N ATOM 1490 CA GLN A 97 13.545 0.271 4.520 1.00 0.00 C ATOM 1491 C GLN A 97 13.011 0.008 3.118 1.00 0.00 C ATOM 1492 O GLN A 97 13.557 0.507 2.134 1.00 0.00 O ATOM 1493 CB GLN A 97 14.551 -0.821 4.904 1.00 0.00 C ATOM 1494 CG GLN A 97 15.286 -0.558 6.215 1.00 0.00 C ATOM 1495 CD GLN A 97 14.480 -0.888 7.468 1.00 0.00 C ATOM 1496 OE1 GLN A 97 14.810 -0.424 8.560 1.00 0.00 O ATOM 1497 NE2 GLN A 97 13.450 -1.720 7.338 1.00 0.00 N ATOM 0 H GLN A 97 12.444 -0.408 6.172 1.00 0.00 H new ATOM 0 HA GLN A 97 14.056 1.234 4.528 1.00 0.00 H new ATOM 0 HB2 GLN A 97 14.026 -1.773 4.979 1.00 0.00 H new ATOM 0 HB3 GLN A 97 15.284 -0.923 4.103 1.00 0.00 H new ATOM 0 HG2 GLN A 97 16.206 -1.143 6.225 1.00 0.00 H new ATOM 0 HG3 GLN A 97 15.576 0.492 6.250 1.00 0.00 H new ATOM 0 HE21 GLN A 97 13.203 -2.086 6.419 1.00 0.00 H new ATOM 0 HE22 GLN A 97 12.907 -1.992 8.158 1.00 0.00 H new ATOM 1506 N ALA A 98 11.939 -0.772 3.028 1.00 0.00 N ATOM 1507 CA ALA A 98 11.337 -1.088 1.737 1.00 0.00 C ATOM 1508 C ALA A 98 10.960 0.188 0.993 1.00 0.00 C ATOM 1509 O ALA A 98 10.963 0.231 -0.235 1.00 0.00 O ATOM 1510 CB ALA A 98 10.116 -1.976 1.925 1.00 0.00 C ATOM 0 H ALA A 98 11.471 -1.195 3.829 1.00 0.00 H new ATOM 0 HA ALA A 98 12.070 -1.629 1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.678 -2.203 0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.413 -2.903 2.415 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.381 -1.459 2.542 1.00 0.00 H new ATOM 1516 N ILE A 99 10.632 1.223 1.754 1.00 0.00 N ATOM 1517 CA ILE A 99 10.247 2.508 1.195 1.00 0.00 C ATOM 1518 C ILE A 99 11.459 3.426 1.002 1.00 0.00 C ATOM 1519 O ILE A 99 11.347 4.494 0.402 1.00 0.00 O ATOM 1520 CB ILE A 99 9.211 3.193 2.112 1.00 0.00 C ATOM 1521 CG1 ILE A 99 7.878 2.447 2.043 1.00 0.00 C ATOM 1522 CG2 ILE A 99 9.017 4.656 1.732 1.00 0.00 C ATOM 1523 CD1 ILE A 99 7.958 0.993 2.450 1.00 0.00 C ATOM 0 H ILE A 99 10.626 1.194 2.774 1.00 0.00 H new ATOM 0 HA ILE A 99 9.805 2.326 0.215 1.00 0.00 H new ATOM 0 HB ILE A 99 9.588 3.160 3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.158 2.953 2.686 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.494 2.507 1.025 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.282 5.110 2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.965 5.185 1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.665 4.721 0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.970 0.539 2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 99 8.651 0.469 1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.310 0.922 3.479 1.00 0.00 H new ATOM 1535 N ALA A 100 12.611 3.008 1.515 1.00 0.00 N ATOM 1536 CA ALA A 100 13.829 3.800 1.398 1.00 0.00 C ATOM 1537 C ALA A 100 14.578 3.479 0.109 1.00 0.00 C ATOM 1538 O ALA A 100 14.550 4.255 -0.845 1.00 0.00 O ATOM 1539 CB ALA A 100 14.726 3.565 2.605 1.00 0.00 C ATOM 0 H ALA A 100 12.727 2.127 2.015 1.00 0.00 H new ATOM 0 HA ALA A 100 13.545 4.852 1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.633 4.162 2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 100 14.198 3.855 3.513 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.991 2.509 2.661 1.00 0.00 H new ATOM 1545 N ALA A 101 15.251 2.332 0.091 1.00 0.00 N ATOM 1546 CA ALA A 101 16.011 1.907 -1.079 1.00 0.00 C ATOM 1547 C ALA A 101 15.172 1.999 -2.350 1.00 0.00 C ATOM 1548 O ALA A 101 15.699 2.217 -3.440 1.00 0.00 O ATOM 1549 CB ALA A 101 16.525 0.488 -0.887 1.00 0.00 C ATOM 0 H ALA A 101 15.285 1.680 0.875 1.00 0.00 H new ATOM 0 HA ALA A 101 16.861 2.580 -1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.090 0.184 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 101 17.171 0.451 -0.010 1.00 0.00 H new ATOM 0 HB3 ALA A 101 15.682 -0.188 -0.745 1.00 0.00 H new ATOM 1555 N ASN A 102 13.862 1.831 -2.200 1.00 0.00 N ATOM 1556 CA ASN A 102 12.949 1.893 -3.323 1.00 0.00 C ATOM 1557 C ASN A 102 12.670 3.340 -3.719 1.00 0.00 C ATOM 1558 O ASN A 102 12.786 3.707 -4.888 1.00 0.00 O ATOM 1559 CB ASN A 102 11.652 1.190 -2.946 1.00 0.00 C ATOM 1560 CG ASN A 102 11.859 -0.287 -2.672 1.00 0.00 C ATOM 1561 OD1 ASN A 102 12.798 -0.676 -1.980 1.00 0.00 O ATOM 1562 ND2 ASN A 102 10.962 -1.114 -3.190 1.00 0.00 N ATOM 0 H ASN A 102 13.412 1.650 -1.303 1.00 0.00 H new ATOM 0 HA ASN A 102 13.403 1.395 -4.180 1.00 0.00 H new ATOM 0 HB2 ASN A 102 11.227 1.666 -2.062 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.928 1.310 -3.752 1.00 0.00 H new ATOM 0 HD21 ASN A 102 11.035 -2.117 -3.020 1.00 0.00 H new ATOM 0 HD22 ASN A 102 10.199 -0.747 -3.759 1.00 0.00 H new ATOM 1569 N ALA A 103 12.305 4.156 -2.734 1.00 0.00 N ATOM 1570 CA ALA A 103 12.012 5.563 -2.979 1.00 0.00 C ATOM 1571 C ALA A 103 13.161 6.450 -2.514 1.00 0.00 C ATOM 1572 O ALA A 103 14.070 6.715 -3.330 1.00 0.00 O ATOM 1573 CB ALA A 103 10.720 5.961 -2.283 1.00 0.00 C ATOM 1574 OXT ALA A 103 13.142 6.876 -1.340 1.00 0.00 O ATOM 0 H ALA A 103 12.205 3.867 -1.761 1.00 0.00 H new ATOM 0 HA ALA A 103 11.891 5.703 -4.053 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.513 7.014 -2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.899 5.355 -2.665 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.820 5.800 -1.210 1.00 0.00 H new