USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 611 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 85 GLN : amide:sc= 1.05 K(o=2.2,f=-1.3) USER MOD Set 1.2: A 89 SER OG : rot 128:sc= 1.19 USER MOD Set 2.1: A 67 TYR OH : rot -9:sc= -1.59 USER MOD Set 2.2: A 87 MET CE :methyl 173:sc= -0.949 (180deg=-1.05) USER MOD Set 3.1: A 21 TYR OH : rot 36:sc= 1.25 USER MOD Set 3.2: A 84 ASN : amide:sc= -0.0709 K(o=1.2,f=-0.42!) USER MOD Set 4.1: A 64 LYS NZ :NH3+ -147:sc= -3.71! (180deg=-4.56!) USER MOD Set 4.2: A 65 ASN : amide:sc= 1 K(o=-2.7,f=-13!) USER MOD Set 5.1: A 56 MET CE :methyl -147:sc= -0.378 (180deg=-1.39!) USER MOD Set 5.2: A 60 HIS : no HE2:sc= -0.389 K(o=-0.77,f=-1.9) USER MOD Set 6.1: A 44 ASN : amide:sc= 0.51 K(o=0.88,f=-7.9!) USER MOD Set 6.2: A 47 GLN : amide:sc= 0.373 K(o=0.88,f=-7.9) USER MOD Single : A 17 HIS : no HD1:sc=-0.00377 X(o=-0.0038,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.101 K(o=-0.1,f=-7.3!) USER MOD Single : A 23 GLN : amide:sc= -4.34! C(o=-4.3!,f=-3.3!) USER MOD Single : A 30 GLN : amide:sc= 1.05 K(o=1.1,f=-0.31) USER MOD Single : A 33 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.039) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0345 USER MOD Single : A 37 GLN : amide:sc= -0.792 K(o=-0.79,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.643 K(o=-0.64,f=-4.7!) USER MOD Single : A 40 HIS : no HE2:sc= 0.607 K(o=0.61,f=-5.8!) USER MOD Single : A 43 SER OG : rot -175:sc= -1.8! USER MOD Single : A 70 THR OG1 : rot 77:sc= 1.14 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.239 USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 17 -4.488 -5.692 -0.955 1.00 33.41 N ATOM 52 CA HIS A 17 -4.513 -6.325 0.358 1.00 11.35 C ATOM 53 C HIS A 17 -3.357 -7.291 0.443 1.00 10.54 C ATOM 54 O HIS A 17 -2.881 -7.643 1.488 1.00 51.04 O ATOM 55 CB HIS A 17 -5.851 -7.024 0.588 1.00 44.32 C ATOM 56 CG HIS A 17 -7.007 -6.078 0.739 1.00 70.41 C ATOM 57 ND1 HIS A 17 -7.686 -5.886 1.915 1.00 54.10 N ATOM 58 CD2 HIS A 17 -7.600 -5.267 -0.170 1.00 54.44 C ATOM 59 CE1 HIS A 17 -8.647 -4.988 1.697 1.00 4.31 C ATOM 60 NE2 HIS A 17 -8.637 -4.578 0.437 1.00 22.31 N ATOM 0 HA HIS A 17 -4.408 -5.575 1.142 1.00 11.35 H new ATOM 0 HB2 HIS A 17 -6.049 -7.695 -0.248 1.00 44.32 H new ATOM 0 HB3 HIS A 17 -5.779 -7.642 1.483 1.00 44.32 H new ATOM 0 HD2 HIS A 17 -7.310 -5.173 -1.206 1.00 54.44 H new ATOM 0 HE1 HIS A 17 -9.341 -4.641 2.448 1.00 4.31 H new ATOM 0 HE2 HIS A 17 -9.262 -3.898 0.005 1.00 22.31 H new ATOM 68 N ALA A 18 -2.894 -7.666 -0.717 1.00 71.45 N ATOM 69 CA ALA A 18 -1.729 -8.487 -0.908 1.00 13.12 C ATOM 70 C ALA A 18 -0.450 -7.834 -0.316 1.00 11.51 C ATOM 71 O ALA A 18 0.582 -8.453 -0.234 1.00 24.52 O ATOM 72 CB ALA A 18 -1.591 -8.858 -2.357 1.00 30.02 C ATOM 0 H ALA A 18 -3.338 -7.396 -1.595 1.00 71.45 H new ATOM 0 HA ALA A 18 -1.860 -9.413 -0.348 1.00 13.12 H new ATOM 0 HB1 ALA A 18 -0.706 -9.480 -2.491 1.00 30.02 H new ATOM 0 HB2 ALA A 18 -2.474 -9.411 -2.677 1.00 30.02 H new ATOM 0 HB3 ALA A 18 -1.493 -7.953 -2.957 1.00 30.02 H new ATOM 78 N ALA A 19 -0.501 -6.548 -0.013 1.00 34.43 N ATOM 79 CA ALA A 19 0.607 -5.914 0.690 1.00 53.00 C ATOM 80 C ALA A 19 0.608 -6.328 2.168 1.00 34.22 C ATOM 81 O ALA A 19 1.641 -6.343 2.810 1.00 53.02 O ATOM 82 CB ALA A 19 0.551 -4.409 0.556 1.00 41.04 C ATOM 0 H ALA A 19 -1.281 -5.930 -0.237 1.00 34.43 H new ATOM 0 HA ALA A 19 1.537 -6.253 0.233 1.00 53.00 H new ATOM 0 HB1 ALA A 19 1.390 -3.965 1.091 1.00 41.04 H new ATOM 0 HB2 ALA A 19 0.606 -4.135 -0.498 1.00 41.04 H new ATOM 0 HB3 ALA A 19 -0.384 -4.041 0.978 1.00 41.04 H new ATOM 88 N ASP A 20 -0.556 -6.711 2.675 1.00 23.24 N ATOM 89 CA ASP A 20 -0.705 -7.158 4.072 1.00 15.53 C ATOM 90 C ASP A 20 -0.233 -8.609 4.185 1.00 55.44 C ATOM 91 O ASP A 20 0.147 -9.106 5.243 1.00 70.44 O ATOM 92 CB ASP A 20 -2.151 -6.974 4.518 1.00 42.32 C ATOM 93 CG ASP A 20 -2.409 -7.340 5.951 1.00 71.02 C ATOM 94 OD1 ASP A 20 -1.666 -6.858 6.847 1.00 43.22 O ATOM 95 OD2 ASP A 20 -3.381 -8.099 6.194 1.00 62.51 O ATOM 0 H ASP A 20 -1.425 -6.724 2.141 1.00 23.24 H new ATOM 0 HA ASP A 20 -0.087 -6.557 4.738 1.00 15.53 H new ATOM 0 HB2 ASP A 20 -2.436 -5.933 4.364 1.00 42.32 H new ATOM 0 HB3 ASP A 20 -2.795 -7.579 3.880 1.00 42.32 H new ATOM 100 N TYR A 21 -0.187 -9.238 3.026 1.00 72.11 N ATOM 101 CA TYR A 21 0.375 -10.571 2.806 1.00 31.42 C ATOM 102 C TYR A 21 1.836 -10.601 3.249 1.00 15.23 C ATOM 103 O TYR A 21 2.346 -11.637 3.677 1.00 72.22 O ATOM 104 CB TYR A 21 0.205 -10.869 1.303 1.00 52.40 C ATOM 105 CG TYR A 21 1.158 -11.819 0.597 1.00 61.23 C ATOM 106 CD1 TYR A 21 2.426 -11.396 0.167 1.00 15.23 C ATOM 107 CD2 TYR A 21 0.766 -13.088 0.276 1.00 55.41 C ATOM 108 CE1 TYR A 21 3.254 -12.233 -0.556 1.00 13.50 C ATOM 109 CE2 TYR A 21 1.597 -13.927 -0.429 1.00 72.52 C ATOM 110 CZ TYR A 21 2.830 -13.504 -0.845 1.00 15.33 C ATOM 111 OH TYR A 21 3.618 -14.354 -1.585 1.00 52.22 O ATOM 0 H TYR A 21 -0.555 -8.822 2.170 1.00 72.11 H new ATOM 0 HA TYR A 21 -0.132 -11.337 3.392 1.00 31.42 H new ATOM 0 HB2 TYR A 21 -0.803 -11.260 1.164 1.00 52.40 H new ATOM 0 HB3 TYR A 21 0.252 -9.915 0.778 1.00 52.40 H new ATOM 0 HD1 TYR A 21 2.760 -10.397 0.406 1.00 15.23 H new ATOM 0 HD2 TYR A 21 -0.210 -13.437 0.580 1.00 55.41 H new ATOM 0 HE1 TYR A 21 4.223 -11.890 -0.889 1.00 13.50 H new ATOM 0 HE2 TYR A 21 1.273 -14.932 -0.657 1.00 72.52 H new ATOM 0 HH TYR A 21 4.560 -14.206 -1.360 1.00 52.22 H new ATOM 121 N GLN A 22 2.484 -9.439 3.174 1.00 21.22 N ATOM 122 CA GLN A 22 3.857 -9.286 3.593 1.00 25.12 C ATOM 123 C GLN A 22 3.962 -9.520 5.093 1.00 34.23 C ATOM 124 O GLN A 22 4.827 -10.265 5.549 1.00 43.31 O ATOM 125 CB GLN A 22 4.359 -7.884 3.263 1.00 44.34 C ATOM 126 CG GLN A 22 5.813 -7.646 3.632 1.00 53.43 C ATOM 127 CD GLN A 22 6.776 -8.462 2.776 1.00 25.24 C ATOM 128 OE1 GLN A 22 7.147 -9.596 3.103 1.00 40.03 O ATOM 129 NE2 GLN A 22 7.183 -7.896 1.669 1.00 5.05 N ATOM 0 H GLN A 22 2.061 -8.581 2.819 1.00 21.22 H new ATOM 0 HA GLN A 22 4.469 -10.016 3.063 1.00 25.12 H new ATOM 0 HB2 GLN A 22 4.232 -7.706 2.195 1.00 44.34 H new ATOM 0 HB3 GLN A 22 3.738 -7.155 3.784 1.00 44.34 H new ATOM 0 HG2 GLN A 22 6.043 -6.586 3.522 1.00 53.43 H new ATOM 0 HG3 GLN A 22 5.963 -7.897 4.682 1.00 53.43 H new ATOM 0 HE21 GLN A 22 6.860 -6.960 1.426 1.00 5.05 H new ATOM 0 HE22 GLN A 22 7.824 -8.391 1.049 1.00 5.05 H new ATOM 138 N GLN A 23 3.049 -8.905 5.842 1.00 62.32 N ATOM 139 CA GLN A 23 3.038 -9.036 7.312 1.00 22.23 C ATOM 140 C GLN A 23 2.871 -10.497 7.729 1.00 25.21 C ATOM 141 O GLN A 23 3.542 -10.977 8.648 1.00 22.41 O ATOM 142 CB GLN A 23 1.934 -8.195 7.986 1.00 33.12 C ATOM 143 CG GLN A 23 2.140 -6.680 8.006 1.00 71.04 C ATOM 144 CD GLN A 23 2.135 -6.034 6.642 1.00 44.15 C ATOM 145 OE1 GLN A 23 3.170 -5.879 6.008 1.00 44.54 O ATOM 146 NE2 GLN A 23 0.977 -5.696 6.164 1.00 41.42 N ATOM 0 H GLN A 23 2.308 -8.313 5.466 1.00 62.32 H new ATOM 0 HA GLN A 23 4.002 -8.656 7.650 1.00 22.23 H new ATOM 0 HB2 GLN A 23 0.991 -8.403 7.480 1.00 33.12 H new ATOM 0 HB3 GLN A 23 1.826 -8.537 9.015 1.00 33.12 H new ATOM 0 HG2 GLN A 23 1.356 -6.227 8.613 1.00 71.04 H new ATOM 0 HG3 GLN A 23 3.089 -6.461 8.495 1.00 71.04 H new ATOM 0 HE21 GLN A 23 0.134 -5.839 6.720 1.00 41.42 H new ATOM 0 HE22 GLN A 23 0.910 -5.287 5.232 1.00 41.42 H new ATOM 155 N LEU A 24 1.960 -11.188 7.049 1.00 51.14 N ATOM 156 CA LEU A 24 1.726 -12.615 7.270 1.00 3.44 C ATOM 157 C LEU A 24 3.025 -13.389 7.080 1.00 53.15 C ATOM 158 O LEU A 24 3.504 -14.080 7.979 1.00 32.33 O ATOM 159 CB LEU A 24 0.741 -13.143 6.234 1.00 43.53 C ATOM 160 CG LEU A 24 0.538 -14.652 6.257 1.00 22.54 C ATOM 161 CD1 LEU A 24 -0.459 -15.091 7.286 1.00 44.42 C ATOM 162 CD2 LEU A 24 0.244 -15.206 4.896 1.00 70.23 C ATOM 0 H LEU A 24 1.364 -10.777 6.331 1.00 51.14 H new ATOM 0 HA LEU A 24 1.339 -12.743 8.281 1.00 3.44 H new ATOM 0 HB2 LEU A 24 -0.223 -12.658 6.390 1.00 43.53 H new ATOM 0 HB3 LEU A 24 1.088 -12.852 5.242 1.00 43.53 H new ATOM 0 HG LEU A 24 1.491 -15.082 6.567 1.00 22.54 H new ATOM 0 HD11 LEU A 24 -0.561 -16.176 7.254 1.00 44.42 H new ATOM 0 HD12 LEU A 24 -0.118 -14.787 8.276 1.00 44.42 H new ATOM 0 HD13 LEU A 24 -1.424 -14.630 7.077 1.00 44.42 H new ATOM 0 HD21 LEU A 24 0.107 -16.285 4.964 1.00 70.23 H new ATOM 0 HD22 LEU A 24 -0.665 -14.749 4.506 1.00 70.23 H new ATOM 0 HD23 LEU A 24 1.076 -14.987 4.227 1.00 70.23 H new ATOM 174 N ARG A 25 3.561 -13.224 5.888 1.00 61.04 N ATOM 175 CA ARG A 25 4.749 -13.862 5.378 1.00 31.10 C ATOM 176 C ARG A 25 5.921 -13.719 6.363 1.00 40.12 C ATOM 177 O ARG A 25 6.630 -14.686 6.630 1.00 32.21 O ATOM 178 CB ARG A 25 5.032 -13.148 4.078 1.00 11.11 C ATOM 179 CG ARG A 25 6.134 -13.643 3.214 1.00 51.51 C ATOM 180 CD ARG A 25 6.271 -12.681 2.036 1.00 10.42 C ATOM 181 NE ARG A 25 7.303 -13.069 1.096 1.00 41.25 N ATOM 182 CZ ARG A 25 8.523 -12.536 1.019 1.00 24.45 C ATOM 183 NH1 ARG A 25 8.872 -11.503 1.814 1.00 33.40 N ATOM 184 NH2 ARG A 25 9.372 -12.997 0.114 1.00 42.34 N ATOM 0 H ARG A 25 3.144 -12.593 5.203 1.00 61.04 H new ATOM 0 HA ARG A 25 4.615 -14.934 5.236 1.00 31.10 H new ATOM 0 HB2 ARG A 25 4.117 -13.164 3.487 1.00 11.11 H new ATOM 0 HB3 ARG A 25 5.241 -12.104 4.313 1.00 11.11 H new ATOM 0 HG2 ARG A 25 7.067 -13.694 3.776 1.00 51.51 H new ATOM 0 HG3 ARG A 25 5.919 -14.652 2.861 1.00 51.51 H new ATOM 0 HD2 ARG A 25 5.317 -12.620 1.513 1.00 10.42 H new ATOM 0 HD3 ARG A 25 6.491 -11.683 2.415 1.00 10.42 H new ATOM 0 HE ARG A 25 7.077 -13.814 0.437 1.00 41.25 H new ATOM 0 HH11 ARG A 25 8.200 -11.123 2.481 1.00 33.40 H new ATOM 0 HH12 ARG A 25 9.808 -11.102 1.748 1.00 33.40 H new ATOM 0 HH21 ARG A 25 9.090 -13.750 -0.513 1.00 42.34 H new ATOM 0 HH22 ARG A 25 10.308 -12.599 0.044 1.00 42.34 H new ATOM 198 N GLU A 26 6.082 -12.519 6.903 1.00 44.02 N ATOM 199 CA GLU A 26 7.121 -12.219 7.871 1.00 63.24 C ATOM 200 C GLU A 26 6.917 -12.997 9.151 1.00 22.21 C ATOM 201 O GLU A 26 7.742 -13.841 9.502 1.00 75.42 O ATOM 202 CB GLU A 26 7.143 -10.715 8.143 1.00 15.31 C ATOM 203 CG GLU A 26 8.296 -10.236 9.024 1.00 24.34 C ATOM 204 CD GLU A 26 8.125 -10.515 10.518 1.00 13.15 C ATOM 205 OE1 GLU A 26 7.268 -9.881 11.159 1.00 44.52 O ATOM 206 OE2 GLU A 26 8.824 -11.405 11.043 1.00 13.23 O ATOM 0 H GLU A 26 5.488 -11.721 6.678 1.00 44.02 H new ATOM 0 HA GLU A 26 8.084 -12.521 7.459 1.00 63.24 H new ATOM 0 HB2 GLU A 26 7.191 -10.189 7.190 1.00 15.31 H new ATOM 0 HB3 GLU A 26 6.202 -10.432 8.616 1.00 15.31 H new ATOM 0 HG2 GLU A 26 9.216 -10.712 8.684 1.00 24.34 H new ATOM 0 HG3 GLU A 26 8.421 -9.163 8.882 1.00 24.34 H new ATOM 213 N ARG A 27 5.791 -12.778 9.820 1.00 74.10 N ATOM 214 CA ARG A 27 5.614 -13.354 11.125 1.00 54.30 C ATOM 215 C ARG A 27 5.498 -14.873 11.091 1.00 63.25 C ATOM 216 O ARG A 27 5.675 -15.536 12.109 1.00 71.31 O ATOM 217 CB ARG A 27 4.465 -12.756 11.868 1.00 42.23 C ATOM 218 CG ARG A 27 4.723 -12.861 13.346 1.00 3.30 C ATOM 219 CD ARG A 27 3.608 -12.342 14.172 1.00 11.33 C ATOM 220 NE ARG A 27 2.420 -13.207 14.088 1.00 15.52 N ATOM 221 CZ ARG A 27 2.275 -14.382 14.746 1.00 34.31 C ATOM 222 NH1 ARG A 27 3.218 -14.819 15.577 1.00 44.33 N ATOM 223 NH2 ARG A 27 1.188 -15.123 14.571 1.00 62.25 N ATOM 0 H ARG A 27 5.009 -12.217 9.481 1.00 74.10 H new ATOM 0 HA ARG A 27 6.525 -13.107 11.670 1.00 54.30 H new ATOM 0 HB2 ARG A 27 4.336 -11.712 11.583 1.00 42.23 H new ATOM 0 HB3 ARG A 27 3.541 -13.274 11.610 1.00 42.23 H new ATOM 0 HG2 ARG A 27 4.902 -13.905 13.604 1.00 3.30 H new ATOM 0 HG3 ARG A 27 5.633 -12.312 13.589 1.00 3.30 H new ATOM 0 HD2 ARG A 27 3.930 -12.265 15.211 1.00 11.33 H new ATOM 0 HD3 ARG A 27 3.349 -11.335 13.843 1.00 11.33 H new ATOM 0 HE ARG A 27 1.651 -12.900 13.492 1.00 15.52 H new ATOM 0 HH11 ARG A 27 4.063 -14.267 15.725 1.00 44.33 H new ATOM 0 HH12 ARG A 27 3.096 -15.706 16.066 1.00 44.33 H new ATOM 0 HH21 ARG A 27 0.453 -14.809 13.937 1.00 62.25 H new ATOM 0 HH22 ARG A 27 1.087 -16.007 15.071 1.00 62.25 H new ATOM 237 N LEU A 28 5.205 -15.428 9.930 1.00 71.10 N ATOM 238 CA LEU A 28 5.193 -16.870 9.766 1.00 74.32 C ATOM 239 C LEU A 28 6.597 -17.389 9.877 1.00 41.10 C ATOM 240 O LEU A 28 6.836 -18.391 10.508 1.00 22.31 O ATOM 241 CB LEU A 28 4.599 -17.282 8.430 1.00 53.43 C ATOM 242 CG LEU A 28 3.089 -17.194 8.304 1.00 74.32 C ATOM 243 CD1 LEU A 28 2.707 -17.355 6.872 1.00 52.13 C ATOM 244 CD2 LEU A 28 2.429 -18.284 9.116 1.00 54.33 C ATOM 0 H LEU A 28 4.972 -14.903 9.087 1.00 71.10 H new ATOM 0 HA LEU A 28 4.567 -17.296 10.550 1.00 74.32 H new ATOM 0 HB2 LEU A 28 5.043 -16.660 7.653 1.00 53.43 H new ATOM 0 HB3 LEU A 28 4.899 -18.310 8.226 1.00 53.43 H new ATOM 0 HG LEU A 28 2.759 -16.224 8.676 1.00 74.32 H new ATOM 0 HD11 LEU A 28 1.623 -17.293 6.775 1.00 52.13 H new ATOM 0 HD12 LEU A 28 3.170 -16.565 6.281 1.00 52.13 H new ATOM 0 HD13 LEU A 28 3.048 -18.325 6.511 1.00 52.13 H new ATOM 0 HD21 LEU A 28 1.346 -18.208 9.016 1.00 54.33 H new ATOM 0 HD22 LEU A 28 2.759 -19.258 8.754 1.00 54.33 H new ATOM 0 HD23 LEU A 28 2.705 -18.174 10.165 1.00 54.33 H new ATOM 256 N ILE A 29 7.522 -16.661 9.300 1.00 31.12 N ATOM 257 CA ILE A 29 8.930 -16.985 9.366 1.00 42.03 C ATOM 258 C ILE A 29 9.363 -17.133 10.830 1.00 13.01 C ATOM 259 O ILE A 29 9.976 -18.134 11.212 1.00 4.21 O ATOM 260 CB ILE A 29 9.769 -15.906 8.606 1.00 53.42 C ATOM 261 CG1 ILE A 29 9.629 -16.119 7.084 1.00 43.33 C ATOM 262 CG2 ILE A 29 11.222 -15.885 9.052 1.00 13.12 C ATOM 263 CD1 ILE A 29 10.335 -15.085 6.230 1.00 75.40 C ATOM 0 H ILE A 29 7.318 -15.817 8.765 1.00 31.12 H new ATOM 0 HA ILE A 29 9.111 -17.940 8.872 1.00 42.03 H new ATOM 0 HB ILE A 29 9.372 -14.922 8.856 1.00 53.42 H new ATOM 0 HG12 ILE A 29 10.019 -17.105 6.832 1.00 43.33 H new ATOM 0 HG13 ILE A 29 8.570 -16.120 6.827 1.00 43.33 H new ATOM 0 HG21 ILE A 29 11.762 -15.120 8.495 1.00 13.12 H new ATOM 0 HG22 ILE A 29 11.272 -15.662 10.118 1.00 13.12 H new ATOM 0 HG23 ILE A 29 11.675 -16.858 8.863 1.00 13.12 H new ATOM 0 HD11 ILE A 29 10.181 -15.317 5.176 1.00 75.40 H new ATOM 0 HD12 ILE A 29 9.931 -14.096 6.447 1.00 75.40 H new ATOM 0 HD13 ILE A 29 11.402 -15.097 6.452 1.00 75.40 H new ATOM 275 N GLN A 30 8.958 -16.189 11.647 1.00 22.14 N ATOM 276 CA GLN A 30 9.258 -16.242 13.057 1.00 24.24 C ATOM 277 C GLN A 30 8.400 -17.278 13.820 1.00 44.54 C ATOM 278 O GLN A 30 8.904 -17.970 14.689 1.00 60.50 O ATOM 279 CB GLN A 30 9.157 -14.861 13.702 1.00 3.41 C ATOM 280 CG GLN A 30 10.291 -13.909 13.342 1.00 71.02 C ATOM 281 CD GLN A 30 10.211 -12.604 14.116 1.00 32.13 C ATOM 282 OE1 GLN A 30 10.739 -12.497 15.221 1.00 3.14 O ATOM 283 NE2 GLN A 30 9.612 -11.601 13.541 1.00 1.41 N ATOM 0 H GLN A 30 8.418 -15.373 11.358 1.00 22.14 H new ATOM 0 HA GLN A 30 10.291 -16.580 13.134 1.00 24.24 H new ATOM 0 HB2 GLN A 30 8.211 -14.406 13.409 1.00 3.41 H new ATOM 0 HB3 GLN A 30 9.131 -14.981 14.785 1.00 3.41 H new ATOM 0 HG2 GLN A 30 11.247 -14.392 13.545 1.00 71.02 H new ATOM 0 HG3 GLN A 30 10.261 -13.698 12.273 1.00 71.02 H new ATOM 0 HE21 GLN A 30 9.183 -11.721 12.623 1.00 1.41 H new ATOM 0 HE22 GLN A 30 9.572 -10.695 14.008 1.00 1.41 H new ATOM 292 N GLU A 31 7.117 -17.411 13.473 1.00 34.10 N ATOM 293 CA GLU A 31 6.227 -18.324 14.213 1.00 72.10 C ATOM 294 C GLU A 31 6.476 -19.802 13.852 1.00 14.55 C ATOM 295 O GLU A 31 6.145 -20.705 14.617 1.00 3.23 O ATOM 296 CB GLU A 31 4.737 -17.942 14.053 1.00 51.14 C ATOM 297 CG GLU A 31 3.823 -18.673 15.044 1.00 22.52 C ATOM 298 CD GLU A 31 2.420 -18.127 15.115 1.00 45.10 C ATOM 299 OE1 GLU A 31 1.550 -18.558 14.356 1.00 22.21 O ATOM 300 OE2 GLU A 31 2.151 -17.252 15.978 1.00 45.53 O ATOM 0 H GLU A 31 6.674 -16.912 12.702 1.00 34.10 H new ATOM 0 HA GLU A 31 6.476 -18.208 15.268 1.00 72.10 H new ATOM 0 HB2 GLU A 31 4.626 -16.866 14.190 1.00 51.14 H new ATOM 0 HB3 GLU A 31 4.416 -18.168 13.036 1.00 51.14 H new ATOM 0 HG2 GLU A 31 3.777 -19.726 14.768 1.00 22.52 H new ATOM 0 HG3 GLU A 31 4.270 -18.623 16.037 1.00 22.52 H new ATOM 307 N LEU A 32 7.015 -20.043 12.677 1.00 61.24 N ATOM 308 CA LEU A 32 7.421 -21.381 12.281 1.00 62.20 C ATOM 309 C LEU A 32 8.833 -21.674 12.762 1.00 13.12 C ATOM 310 O LEU A 32 9.294 -22.809 12.667 1.00 23.23 O ATOM 311 CB LEU A 32 7.339 -21.577 10.749 1.00 34.21 C ATOM 312 CG LEU A 32 5.948 -21.857 10.128 1.00 22.23 C ATOM 313 CD1 LEU A 32 4.951 -20.746 10.365 1.00 70.52 C ATOM 314 CD2 LEU A 32 6.078 -22.143 8.650 1.00 0.03 C ATOM 0 H LEU A 32 7.185 -19.326 11.972 1.00 61.24 H new ATOM 0 HA LEU A 32 6.727 -22.080 12.748 1.00 62.20 H new ATOM 0 HB2 LEU A 32 7.743 -20.682 10.275 1.00 34.21 H new ATOM 0 HB3 LEU A 32 7.997 -22.404 10.482 1.00 34.21 H new ATOM 0 HG LEU A 32 5.555 -22.737 10.637 1.00 22.23 H new ATOM 0 HD11 LEU A 32 3.999 -21.007 9.904 1.00 70.52 H new ATOM 0 HD12 LEU A 32 4.809 -20.607 11.437 1.00 70.52 H new ATOM 0 HD13 LEU A 32 5.325 -19.821 9.926 1.00 70.52 H new ATOM 0 HD21 LEU A 32 5.092 -22.338 8.229 1.00 0.03 H new ATOM 0 HD22 LEU A 32 6.522 -21.282 8.151 1.00 0.03 H new ATOM 0 HD23 LEU A 32 6.714 -23.016 8.503 1.00 0.03 H new ATOM 326 N ASN A 33 9.500 -20.627 13.301 1.00 2.00 N ATOM 327 CA ASN A 33 10.900 -20.696 13.777 1.00 23.23 C ATOM 328 C ASN A 33 11.771 -21.136 12.594 1.00 43.22 C ATOM 329 O ASN A 33 12.669 -21.984 12.699 1.00 44.53 O ATOM 330 CB ASN A 33 11.014 -21.682 14.977 1.00 35.51 C ATOM 331 CG ASN A 33 12.342 -21.593 15.745 1.00 52.05 C ATOM 332 OD1 ASN A 33 12.469 -20.841 16.701 1.00 62.32 O ATOM 333 ND2 ASN A 33 13.324 -22.353 15.337 1.00 30.35 N ATOM 0 H ASN A 33 9.079 -19.705 13.418 1.00 2.00 H new ATOM 0 HA ASN A 33 11.239 -19.724 14.136 1.00 23.23 H new ATOM 0 HB2 ASN A 33 10.194 -21.490 15.669 1.00 35.51 H new ATOM 0 HB3 ASN A 33 10.888 -22.700 14.609 1.00 35.51 H new ATOM 0 HD21 ASN A 33 14.223 -22.328 15.819 1.00 30.35 H new ATOM 0 HD22 ASN A 33 13.192 -22.971 14.537 1.00 30.35 H new ATOM 340 N LEU A 34 11.509 -20.530 11.466 1.00 42.41 N ATOM 341 CA LEU A 34 12.141 -20.911 10.253 1.00 72.32 C ATOM 342 C LEU A 34 12.927 -19.742 9.702 1.00 13.11 C ATOM 343 O LEU A 34 12.814 -18.625 10.188 1.00 51.13 O ATOM 344 CB LEU A 34 11.073 -21.361 9.256 1.00 65.44 C ATOM 345 CG LEU A 34 11.349 -22.662 8.510 1.00 13.21 C ATOM 346 CD1 LEU A 34 11.571 -23.816 9.483 1.00 23.22 C ATOM 347 CD2 LEU A 34 10.202 -22.979 7.575 1.00 73.25 C ATOM 0 H LEU A 34 10.849 -19.758 11.373 1.00 42.41 H new ATOM 0 HA LEU A 34 12.830 -21.736 10.432 1.00 72.32 H new ATOM 0 HB2 LEU A 34 10.129 -21.467 9.791 1.00 65.44 H new ATOM 0 HB3 LEU A 34 10.936 -20.568 8.521 1.00 65.44 H new ATOM 0 HG LEU A 34 12.260 -22.533 7.925 1.00 13.21 H new ATOM 0 HD11 LEU A 34 11.766 -24.731 8.924 1.00 23.22 H new ATOM 0 HD12 LEU A 34 12.425 -23.593 10.123 1.00 23.22 H new ATOM 0 HD13 LEU A 34 10.681 -23.949 10.099 1.00 23.22 H new ATOM 0 HD21 LEU A 34 10.409 -23.910 7.047 1.00 73.25 H new ATOM 0 HD22 LEU A 34 9.282 -23.085 8.150 1.00 73.25 H new ATOM 0 HD23 LEU A 34 10.087 -22.171 6.853 1.00 73.25 H new ATOM 359 N THR A 35 13.720 -19.989 8.704 1.00 43.22 N ATOM 360 CA THR A 35 14.497 -18.952 8.113 1.00 45.03 C ATOM 361 C THR A 35 13.875 -18.575 6.764 1.00 34.14 C ATOM 362 O THR A 35 13.185 -19.404 6.156 1.00 51.44 O ATOM 363 CB THR A 35 15.971 -19.407 7.946 1.00 62.40 C ATOM 364 OG1 THR A 35 16.026 -20.606 7.167 1.00 54.21 O ATOM 365 CG2 THR A 35 16.605 -19.672 9.304 1.00 64.54 C ATOM 0 H THR A 35 13.844 -20.909 8.282 1.00 43.22 H new ATOM 0 HA THR A 35 14.499 -18.075 8.761 1.00 45.03 H new ATOM 0 HB THR A 35 16.519 -18.611 7.442 1.00 62.40 H new ATOM 0 HG1 THR A 35 16.959 -20.887 7.064 1.00 54.21 H new ATOM 0 HG21 THR A 35 17.639 -19.990 9.167 1.00 64.54 H new ATOM 0 HG22 THR A 35 16.582 -18.760 9.900 1.00 64.54 H new ATOM 0 HG23 THR A 35 16.049 -20.456 9.818 1.00 64.54 H new ATOM 373 N PRO A 36 14.103 -17.339 6.264 1.00 32.41 N ATOM 374 CA PRO A 36 13.519 -16.868 4.981 1.00 41.15 C ATOM 375 C PRO A 36 13.958 -17.697 3.764 1.00 75.44 C ATOM 376 O PRO A 36 13.366 -17.610 2.710 1.00 42.31 O ATOM 377 CB PRO A 36 14.047 -15.430 4.852 1.00 54.51 C ATOM 378 CG PRO A 36 14.425 -15.029 6.235 1.00 22.42 C ATOM 379 CD PRO A 36 14.901 -16.277 6.913 1.00 0.34 C ATOM 0 HA PRO A 36 12.432 -16.952 4.995 1.00 41.15 H new ATOM 0 HB2 PRO A 36 14.904 -15.384 4.180 1.00 54.51 H new ATOM 0 HB3 PRO A 36 13.285 -14.766 4.443 1.00 54.51 H new ATOM 0 HG2 PRO A 36 15.207 -14.270 6.221 1.00 22.42 H new ATOM 0 HG3 PRO A 36 13.574 -14.599 6.763 1.00 22.42 H new ATOM 0 HD2 PRO A 36 15.970 -16.431 6.768 1.00 0.34 H new ATOM 0 HD3 PRO A 36 14.727 -16.243 7.988 1.00 0.34 H new ATOM 387 N GLN A 37 15.012 -18.475 3.924 1.00 71.52 N ATOM 388 CA GLN A 37 15.502 -19.309 2.833 1.00 41.53 C ATOM 389 C GLN A 37 15.000 -20.732 2.976 1.00 64.33 C ATOM 390 O GLN A 37 15.174 -21.545 2.086 1.00 63.22 O ATOM 391 CB GLN A 37 17.030 -19.284 2.761 1.00 32.10 C ATOM 392 CG GLN A 37 17.618 -17.890 2.573 1.00 64.23 C ATOM 393 CD GLN A 37 19.137 -17.884 2.462 1.00 42.53 C ATOM 394 OE1 GLN A 37 19.712 -17.034 1.813 1.00 43.44 O ATOM 395 NE2 GLN A 37 19.794 -18.833 3.091 1.00 51.24 N ATOM 0 H GLN A 37 15.545 -18.550 4.791 1.00 71.52 H new ATOM 0 HA GLN A 37 15.114 -18.898 1.901 1.00 41.53 H new ATOM 0 HB2 GLN A 37 17.434 -19.717 3.676 1.00 32.10 H new ATOM 0 HB3 GLN A 37 17.355 -19.919 1.937 1.00 32.10 H new ATOM 0 HG2 GLN A 37 17.194 -17.443 1.674 1.00 64.23 H new ATOM 0 HG3 GLN A 37 17.320 -17.262 3.412 1.00 64.23 H new ATOM 0 HE21 GLN A 37 19.286 -19.535 3.629 1.00 51.24 H new ATOM 0 HE22 GLN A 37 20.812 -18.868 3.041 1.00 51.24 H new ATOM 404 N GLN A 38 14.397 -21.029 4.108 1.00 64.55 N ATOM 405 CA GLN A 38 13.850 -22.322 4.343 1.00 33.43 C ATOM 406 C GLN A 38 12.375 -22.260 4.005 1.00 4.15 C ATOM 407 O GLN A 38 11.800 -23.186 3.438 1.00 12.10 O ATOM 408 CB GLN A 38 14.039 -22.694 5.809 1.00 75.40 C ATOM 409 CG GLN A 38 13.509 -24.057 6.174 1.00 41.22 C ATOM 410 CD GLN A 38 14.321 -25.218 5.618 1.00 31.01 C ATOM 411 OE1 GLN A 38 14.953 -25.125 4.586 1.00 4.54 O ATOM 412 NE2 GLN A 38 14.285 -26.329 6.304 1.00 15.21 N ATOM 0 H GLN A 38 14.279 -20.374 4.881 1.00 64.55 H new ATOM 0 HA GLN A 38 14.347 -23.075 3.731 1.00 33.43 H new ATOM 0 HB2 GLN A 38 15.102 -22.654 6.048 1.00 75.40 H new ATOM 0 HB3 GLN A 38 13.544 -21.946 6.429 1.00 75.40 H new ATOM 0 HG2 GLN A 38 13.475 -24.141 7.260 1.00 41.22 H new ATOM 0 HG3 GLN A 38 12.483 -24.142 5.815 1.00 41.22 H new ATOM 0 HE21 GLN A 38 13.745 -26.378 7.168 1.00 15.21 H new ATOM 0 HE22 GLN A 38 14.797 -27.148 5.976 1.00 15.21 H new ATOM 421 N LEU A 39 11.764 -21.149 4.352 1.00 71.02 N ATOM 422 CA LEU A 39 10.386 -20.948 4.061 1.00 23.03 C ATOM 423 C LEU A 39 10.296 -20.310 2.691 1.00 14.14 C ATOM 424 O LEU A 39 10.330 -19.091 2.545 1.00 31.44 O ATOM 425 CB LEU A 39 9.700 -20.073 5.148 1.00 51.13 C ATOM 426 CG LEU A 39 8.159 -20.162 5.290 1.00 60.52 C ATOM 427 CD1 LEU A 39 7.695 -19.343 6.480 1.00 41.01 C ATOM 428 CD2 LEU A 39 7.448 -19.694 4.042 1.00 1.13 C ATOM 0 H LEU A 39 12.214 -20.374 4.839 1.00 71.02 H new ATOM 0 HA LEU A 39 9.857 -21.901 4.062 1.00 23.03 H new ATOM 0 HB2 LEU A 39 10.139 -20.332 6.111 1.00 51.13 H new ATOM 0 HB3 LEU A 39 9.957 -19.032 4.950 1.00 51.13 H new ATOM 0 HG LEU A 39 7.907 -21.211 5.444 1.00 60.52 H new ATOM 0 HD11 LEU A 39 6.611 -19.413 6.570 1.00 41.01 H new ATOM 0 HD12 LEU A 39 8.160 -19.726 7.389 1.00 41.01 H new ATOM 0 HD13 LEU A 39 7.981 -18.301 6.338 1.00 41.01 H new ATOM 0 HD21 LEU A 39 6.370 -19.773 4.186 1.00 1.13 H new ATOM 0 HD22 LEU A 39 7.712 -18.656 3.841 1.00 1.13 H new ATOM 0 HD23 LEU A 39 7.748 -20.315 3.198 1.00 1.13 H new ATOM 440 N HIS A 40 10.300 -21.153 1.715 1.00 24.30 N ATOM 441 CA HIS A 40 10.062 -20.779 0.352 1.00 20.20 C ATOM 442 C HIS A 40 8.540 -20.520 0.339 1.00 54.32 C ATOM 443 O HIS A 40 7.777 -21.363 0.796 1.00 54.01 O ATOM 444 CB HIS A 40 10.435 -22.005 -0.505 1.00 40.02 C ATOM 445 CG HIS A 40 10.894 -21.759 -1.916 1.00 71.23 C ATOM 446 ND1 HIS A 40 10.124 -21.232 -2.902 1.00 20.21 N ATOM 447 CD2 HIS A 40 12.080 -22.067 -2.506 1.00 43.23 C ATOM 448 CE1 HIS A 40 10.805 -21.245 -4.036 1.00 12.32 C ATOM 449 NE2 HIS A 40 12.014 -21.740 -3.857 1.00 72.31 N ATOM 0 H HIS A 40 10.473 -22.150 1.841 1.00 24.30 H new ATOM 0 HA HIS A 40 10.620 -19.921 -0.022 1.00 20.20 H new ATOM 0 HB2 HIS A 40 11.224 -22.549 0.014 1.00 40.02 H new ATOM 0 HB3 HIS A 40 9.567 -22.663 -0.545 1.00 40.02 H new ATOM 0 HD1 HIS A 40 9.173 -20.882 -2.787 1.00 20.21 H new ATOM 0 HD2 HIS A 40 12.936 -22.496 -2.006 1.00 43.23 H new ATOM 0 HE1 HIS A 40 10.421 -20.896 -4.983 1.00 12.32 H new ATOM 457 N GLU A 41 8.098 -19.384 -0.129 1.00 43.02 N ATOM 458 CA GLU A 41 6.707 -18.974 0.099 1.00 40.05 C ATOM 459 C GLU A 41 5.634 -19.793 -0.651 1.00 12.33 C ATOM 460 O GLU A 41 4.469 -19.858 -0.230 1.00 61.43 O ATOM 461 CB GLU A 41 6.548 -17.458 -0.004 1.00 34.05 C ATOM 462 CG GLU A 41 6.969 -16.830 -1.309 1.00 43.52 C ATOM 463 CD GLU A 41 7.090 -15.338 -1.156 1.00 42.33 C ATOM 464 OE1 GLU A 41 6.094 -14.675 -0.771 1.00 11.51 O ATOM 465 OE2 GLU A 41 8.203 -14.809 -1.304 1.00 45.43 O ATOM 0 H GLU A 41 8.659 -18.722 -0.665 1.00 43.02 H new ATOM 0 HA GLU A 41 6.490 -19.241 1.133 1.00 40.05 H new ATOM 0 HB2 GLU A 41 5.501 -17.211 0.173 1.00 34.05 H new ATOM 0 HB3 GLU A 41 7.124 -16.998 0.799 1.00 34.05 H new ATOM 0 HG2 GLU A 41 7.923 -17.248 -1.630 1.00 43.52 H new ATOM 0 HG3 GLU A 41 6.241 -17.065 -2.085 1.00 43.52 H new ATOM 472 N GLU A 42 6.021 -20.422 -1.719 1.00 12.53 N ATOM 473 CA GLU A 42 5.166 -21.346 -2.452 1.00 74.41 C ATOM 474 C GLU A 42 5.238 -22.770 -1.875 1.00 2.33 C ATOM 475 O GLU A 42 4.656 -23.702 -2.418 1.00 73.11 O ATOM 476 CB GLU A 42 5.430 -21.331 -3.994 1.00 52.41 C ATOM 477 CG GLU A 42 6.880 -21.344 -4.442 1.00 33.44 C ATOM 478 CD GLU A 42 7.547 -20.005 -4.269 1.00 33.33 C ATOM 479 OE1 GLU A 42 8.054 -19.740 -3.150 1.00 3.30 O ATOM 480 OE2 GLU A 42 7.574 -19.237 -5.214 1.00 54.35 O ATOM 0 H GLU A 42 6.951 -20.316 -2.123 1.00 12.53 H new ATOM 0 HA GLU A 42 4.146 -20.988 -2.316 1.00 74.41 H new ATOM 0 HB2 GLU A 42 4.932 -22.196 -4.432 1.00 52.41 H new ATOM 0 HB3 GLU A 42 4.954 -20.444 -4.411 1.00 52.41 H new ATOM 0 HG2 GLU A 42 7.427 -22.095 -3.872 1.00 33.44 H new ATOM 0 HG3 GLU A 42 6.931 -21.639 -5.490 1.00 33.44 H new ATOM 487 N SER A 43 5.929 -22.918 -0.764 1.00 32.12 N ATOM 488 CA SER A 43 6.001 -24.179 -0.066 1.00 34.34 C ATOM 489 C SER A 43 4.865 -24.278 0.943 1.00 51.31 C ATOM 490 O SER A 43 4.331 -23.251 1.393 1.00 5.30 O ATOM 491 CB SER A 43 7.363 -24.313 0.616 1.00 44.22 C ATOM 492 OG SER A 43 8.377 -24.390 -0.363 1.00 44.25 O ATOM 0 H SER A 43 6.456 -22.165 -0.321 1.00 32.12 H new ATOM 0 HA SER A 43 5.893 -24.999 -0.776 1.00 34.34 H new ATOM 0 HB2 SER A 43 7.539 -23.459 1.270 1.00 44.22 H new ATOM 0 HB3 SER A 43 7.381 -25.204 1.243 1.00 44.22 H new ATOM 0 HG SER A 43 9.240 -24.554 0.072 1.00 44.25 H new ATOM 498 N ASN A 44 4.472 -25.504 1.265 1.00 64.23 N ATOM 499 CA ASN A 44 3.392 -25.742 2.217 1.00 13.12 C ATOM 500 C ASN A 44 3.843 -25.260 3.572 1.00 13.25 C ATOM 501 O ASN A 44 4.863 -25.713 4.071 1.00 2.33 O ATOM 502 CB ASN A 44 3.096 -27.235 2.352 1.00 0.05 C ATOM 503 CG ASN A 44 1.760 -27.536 3.039 1.00 23.04 C ATOM 504 OD1 ASN A 44 1.284 -26.777 3.874 1.00 53.41 O ATOM 505 ND2 ASN A 44 1.176 -28.659 2.722 1.00 0.12 N ATOM 0 H ASN A 44 4.886 -26.353 0.880 1.00 64.23 H new ATOM 0 HA ASN A 44 2.502 -25.222 1.864 1.00 13.12 H new ATOM 0 HB2 ASN A 44 3.095 -27.688 1.360 1.00 0.05 H new ATOM 0 HB3 ASN A 44 3.900 -27.707 2.917 1.00 0.05 H new ATOM 0 HD21 ASN A 44 0.300 -28.924 3.173 1.00 0.12 H new ATOM 0 HD22 ASN A 44 1.595 -29.272 2.023 1.00 0.12 H new ATOM 512 N LEU A 45 3.081 -24.391 4.173 1.00 23.21 N ATOM 513 CA LEU A 45 3.432 -23.847 5.470 1.00 10.54 C ATOM 514 C LEU A 45 3.321 -24.907 6.539 1.00 72.42 C ATOM 515 O LEU A 45 4.129 -24.962 7.458 1.00 51.53 O ATOM 516 CB LEU A 45 2.553 -22.657 5.799 1.00 33.45 C ATOM 517 CG LEU A 45 2.653 -21.493 4.826 1.00 42.24 C ATOM 518 CD1 LEU A 45 1.672 -20.412 5.204 1.00 51.43 C ATOM 519 CD2 LEU A 45 4.071 -20.936 4.787 1.00 43.43 C ATOM 0 H LEU A 45 2.205 -24.037 3.789 1.00 23.21 H new ATOM 0 HA LEU A 45 4.468 -23.509 5.435 1.00 10.54 H new ATOM 0 HB2 LEU A 45 1.516 -22.990 5.837 1.00 33.45 H new ATOM 0 HB3 LEU A 45 2.810 -22.300 6.796 1.00 33.45 H new ATOM 0 HG LEU A 45 2.406 -21.858 3.829 1.00 42.24 H new ATOM 0 HD11 LEU A 45 1.754 -19.584 4.500 1.00 51.43 H new ATOM 0 HD12 LEU A 45 0.659 -20.814 5.176 1.00 51.43 H new ATOM 0 HD13 LEU A 45 1.893 -20.055 6.210 1.00 51.43 H new ATOM 0 HD21 LEU A 45 4.116 -20.104 4.084 1.00 43.43 H new ATOM 0 HD22 LEU A 45 4.352 -20.587 5.780 1.00 43.43 H new ATOM 0 HD23 LEU A 45 4.760 -21.718 4.469 1.00 43.43 H new ATOM 531 N ILE A 46 2.355 -25.784 6.376 1.00 65.31 N ATOM 532 CA ILE A 46 2.136 -26.872 7.321 1.00 45.13 C ATOM 533 C ILE A 46 3.336 -27.818 7.304 1.00 62.22 C ATOM 534 O ILE A 46 3.848 -28.213 8.348 1.00 63.24 O ATOM 535 CB ILE A 46 0.816 -27.643 7.013 1.00 53.31 C ATOM 536 CG1 ILE A 46 -0.384 -26.679 7.114 1.00 1.23 C ATOM 537 CG2 ILE A 46 0.638 -28.842 7.953 1.00 3.35 C ATOM 538 CD1 ILE A 46 -1.735 -27.325 6.858 1.00 55.24 C ATOM 0 H ILE A 46 1.701 -25.769 5.594 1.00 65.31 H new ATOM 0 HA ILE A 46 2.032 -26.445 8.318 1.00 45.13 H new ATOM 0 HB ILE A 46 0.871 -28.035 5.997 1.00 53.31 H new ATOM 0 HG12 ILE A 46 -0.392 -26.232 8.108 1.00 1.23 H new ATOM 0 HG13 ILE A 46 -0.243 -25.867 6.400 1.00 1.23 H new ATOM 0 HG21 ILE A 46 -0.291 -29.358 7.712 1.00 3.35 H new ATOM 0 HG22 ILE A 46 1.476 -29.528 7.831 1.00 3.35 H new ATOM 0 HG23 ILE A 46 0.602 -28.493 8.985 1.00 3.35 H new ATOM 0 HD11 ILE A 46 -2.520 -26.575 6.950 1.00 55.24 H new ATOM 0 HD12 ILE A 46 -1.752 -27.747 5.853 1.00 55.24 H new ATOM 0 HD13 ILE A 46 -1.903 -28.117 7.587 1.00 55.24 H new ATOM 550 N GLN A 47 3.833 -28.082 6.110 1.00 44.22 N ATOM 551 CA GLN A 47 4.978 -28.969 5.919 1.00 54.34 C ATOM 552 C GLN A 47 6.296 -28.245 6.214 1.00 4.01 C ATOM 553 O GLN A 47 7.348 -28.864 6.274 1.00 45.54 O ATOM 554 CB GLN A 47 4.971 -29.564 4.500 1.00 61.13 C ATOM 555 CG GLN A 47 3.807 -30.511 4.239 1.00 72.41 C ATOM 556 CD GLN A 47 3.812 -31.075 2.832 1.00 60.33 C ATOM 557 OE1 GLN A 47 3.221 -30.505 1.920 1.00 50.11 O ATOM 558 NE2 GLN A 47 4.473 -32.187 2.643 1.00 32.35 N ATOM 0 H GLN A 47 3.460 -27.692 5.245 1.00 44.22 H new ATOM 0 HA GLN A 47 4.893 -29.791 6.630 1.00 54.34 H new ATOM 0 HB2 GLN A 47 4.936 -28.751 3.775 1.00 61.13 H new ATOM 0 HB3 GLN A 47 5.907 -30.098 4.335 1.00 61.13 H new ATOM 0 HG2 GLN A 47 3.845 -31.332 4.955 1.00 72.41 H new ATOM 0 HG3 GLN A 47 2.869 -29.982 4.410 1.00 72.41 H new ATOM 0 HE21 GLN A 47 4.953 -32.634 3.424 1.00 32.35 H new ATOM 0 HE22 GLN A 47 4.509 -32.608 1.714 1.00 32.35 H new ATOM 567 N ALA A 48 6.217 -26.935 6.374 1.00 71.15 N ATOM 568 CA ALA A 48 7.371 -26.127 6.713 1.00 71.14 C ATOM 569 C ALA A 48 7.530 -26.055 8.234 1.00 21.12 C ATOM 570 O ALA A 48 8.639 -25.943 8.748 1.00 0.52 O ATOM 571 CB ALA A 48 7.242 -24.726 6.112 1.00 4.33 C ATOM 0 H ALA A 48 5.352 -26.404 6.272 1.00 71.15 H new ATOM 0 HA ALA A 48 8.263 -26.592 6.292 1.00 71.14 H new ATOM 0 HB1 ALA A 48 8.118 -24.134 6.377 1.00 4.33 H new ATOM 0 HB2 ALA A 48 7.170 -24.801 5.027 1.00 4.33 H new ATOM 0 HB3 ALA A 48 6.346 -24.244 6.503 1.00 4.33 H new ATOM 577 N GLY A 49 6.409 -26.110 8.942 1.00 75.31 N ATOM 578 CA GLY A 49 6.451 -26.107 10.387 1.00 60.35 C ATOM 579 C GLY A 49 5.299 -25.339 11.001 1.00 21.13 C ATOM 580 O GLY A 49 5.497 -24.522 11.906 1.00 32.13 O ATOM 0 H GLY A 49 5.473 -26.157 8.539 1.00 75.31 H new ATOM 0 HA2 GLY A 49 6.432 -27.135 10.750 1.00 60.35 H new ATOM 0 HA3 GLY A 49 7.393 -25.669 10.719 1.00 60.35 H new ATOM 584 N LEU A 50 4.100 -25.622 10.549 1.00 50.30 N ATOM 585 CA LEU A 50 2.896 -24.933 10.998 1.00 11.51 C ATOM 586 C LEU A 50 1.825 -25.970 11.198 1.00 74.02 C ATOM 587 O LEU A 50 1.680 -26.866 10.387 1.00 25.54 O ATOM 588 CB LEU A 50 2.460 -23.925 9.920 1.00 75.25 C ATOM 589 CG LEU A 50 1.301 -22.993 10.257 1.00 3.33 C ATOM 590 CD1 LEU A 50 1.694 -22.036 11.351 1.00 13.43 C ATOM 591 CD2 LEU A 50 0.863 -22.225 9.032 1.00 32.43 C ATOM 0 H LEU A 50 3.923 -26.344 9.851 1.00 50.30 H new ATOM 0 HA LEU A 50 3.076 -24.394 11.928 1.00 11.51 H new ATOM 0 HB2 LEU A 50 3.323 -23.310 9.665 1.00 75.25 H new ATOM 0 HB3 LEU A 50 2.192 -24.485 9.024 1.00 75.25 H new ATOM 0 HG LEU A 50 0.466 -23.601 10.606 1.00 3.33 H new ATOM 0 HD11 LEU A 50 0.855 -21.379 11.578 1.00 13.43 H new ATOM 0 HD12 LEU A 50 1.968 -22.597 12.244 1.00 13.43 H new ATOM 0 HD13 LEU A 50 2.545 -21.438 11.023 1.00 13.43 H new ATOM 0 HD21 LEU A 50 0.035 -21.566 9.293 1.00 32.43 H new ATOM 0 HD22 LEU A 50 1.697 -21.631 8.658 1.00 32.43 H new ATOM 0 HD23 LEU A 50 0.541 -22.924 8.260 1.00 32.43 H new ATOM 603 N ASP A 51 1.136 -25.873 12.289 1.00 75.21 N ATOM 604 CA ASP A 51 0.058 -26.777 12.615 1.00 73.51 C ATOM 605 C ASP A 51 -1.255 -26.139 12.223 1.00 61.34 C ATOM 606 O ASP A 51 -1.271 -25.073 11.598 1.00 13.23 O ATOM 607 CB ASP A 51 0.081 -27.132 14.112 1.00 12.52 C ATOM 608 CG ASP A 51 0.220 -25.919 14.984 1.00 25.42 C ATOM 609 OD1 ASP A 51 -0.740 -25.161 15.140 1.00 24.02 O ATOM 610 OD2 ASP A 51 1.345 -25.664 15.455 1.00 11.52 O ATOM 0 H ASP A 51 1.302 -25.156 12.995 1.00 75.21 H new ATOM 0 HA ASP A 51 0.180 -27.707 12.060 1.00 73.51 H new ATOM 0 HB2 ASP A 51 -0.837 -27.660 14.372 1.00 12.52 H new ATOM 0 HB3 ASP A 51 0.908 -27.814 14.308 1.00 12.52 H new ATOM 667 N ILE A 53 -3.514 -25.121 14.287 1.00 70.02 N ATOM 668 CA ILE A 53 -3.923 -24.210 15.331 1.00 1.24 C ATOM 669 C ILE A 53 -3.282 -22.887 15.080 1.00 42.20 C ATOM 670 O ILE A 53 -3.925 -21.834 15.183 1.00 21.23 O ATOM 671 CB ILE A 53 -3.573 -24.728 16.741 1.00 23.00 C ATOM 672 CG1 ILE A 53 -4.284 -26.070 17.007 1.00 72.14 C ATOM 673 CG2 ILE A 53 -3.943 -23.693 17.816 1.00 44.15 C ATOM 674 CD1 ILE A 53 -5.808 -26.019 16.904 1.00 63.32 C ATOM 0 HA ILE A 53 -5.009 -24.118 15.304 1.00 1.24 H new ATOM 0 HB ILE A 53 -2.496 -24.889 16.790 1.00 23.00 H new ATOM 0 HG12 ILE A 53 -3.911 -26.810 16.299 1.00 72.14 H new ATOM 0 HG13 ILE A 53 -4.013 -26.418 18.004 1.00 72.14 H new ATOM 0 HG21 ILE A 53 -3.686 -24.083 18.801 1.00 44.15 H new ATOM 0 HG22 ILE A 53 -3.393 -22.769 17.637 1.00 44.15 H new ATOM 0 HG23 ILE A 53 -5.013 -23.491 17.774 1.00 44.15 H new ATOM 0 HD11 ILE A 53 -6.220 -27.008 17.107 1.00 63.32 H new ATOM 0 HD12 ILE A 53 -6.198 -25.307 17.632 1.00 63.32 H new ATOM 0 HD13 ILE A 53 -6.095 -25.706 15.900 1.00 63.32 H new ATOM 686 N ARG A 54 -2.031 -22.911 14.714 1.00 22.31 N ATOM 687 CA ARG A 54 -1.399 -21.736 14.313 1.00 20.13 C ATOM 688 C ARG A 54 -2.025 -21.218 13.046 1.00 3.12 C ATOM 689 O ARG A 54 -2.299 -20.031 12.938 1.00 12.35 O ATOM 690 CB ARG A 54 0.055 -21.931 14.204 1.00 24.21 C ATOM 691 CG ARG A 54 0.706 -21.877 15.542 1.00 10.04 C ATOM 692 CD ARG A 54 2.160 -22.004 15.399 1.00 10.34 C ATOM 693 NE ARG A 54 2.540 -23.370 15.108 1.00 25.44 N ATOM 694 CZ ARG A 54 3.599 -23.776 14.433 1.00 45.43 C ATOM 695 NH1 ARG A 54 4.524 -22.922 14.009 1.00 2.13 N ATOM 696 NH2 ARG A 54 3.747 -25.071 14.227 1.00 10.34 N ATOM 0 H ARG A 54 -1.447 -23.747 14.693 1.00 22.31 H new ATOM 0 HA ARG A 54 -1.543 -20.970 15.075 1.00 20.13 H new ATOM 0 HB2 ARG A 54 0.262 -22.893 13.734 1.00 24.21 H new ATOM 0 HB3 ARG A 54 0.480 -21.163 13.558 1.00 24.21 H new ATOM 0 HG2 ARG A 54 0.462 -20.937 16.036 1.00 10.04 H new ATOM 0 HG3 ARG A 54 0.323 -22.678 16.174 1.00 10.04 H new ATOM 0 HD2 ARG A 54 2.508 -21.349 14.600 1.00 10.34 H new ATOM 0 HD3 ARG A 54 2.648 -21.675 16.316 1.00 10.34 H new ATOM 0 HE ARG A 54 1.921 -24.099 15.464 1.00 25.44 H new ATOM 0 HH11 ARG A 54 4.425 -21.926 14.203 1.00 2.13 H new ATOM 0 HH12 ARG A 54 5.333 -23.263 13.489 1.00 2.13 H new ATOM 0 HH21 ARG A 54 3.053 -25.727 14.586 1.00 10.34 H new ATOM 0 HH22 ARG A 54 4.555 -25.416 13.709 1.00 10.34 H new ATOM 710 N LEU A 55 -2.367 -22.147 12.151 1.00 44.44 N ATOM 711 CA LEU A 55 -3.047 -21.838 10.894 1.00 25.52 C ATOM 712 C LEU A 55 -4.434 -21.221 11.200 1.00 64.31 C ATOM 713 O LEU A 55 -4.805 -20.202 10.621 1.00 24.31 O ATOM 714 CB LEU A 55 -3.173 -23.151 10.056 1.00 15.22 C ATOM 715 CG LEU A 55 -3.544 -23.075 8.544 1.00 52.13 C ATOM 716 CD1 LEU A 55 -4.927 -22.577 8.291 1.00 63.53 C ATOM 717 CD2 LEU A 55 -2.588 -22.221 7.794 1.00 75.41 C ATOM 0 H LEU A 55 -2.178 -23.141 12.280 1.00 44.44 H new ATOM 0 HA LEU A 55 -2.478 -21.111 10.314 1.00 25.52 H new ATOM 0 HB2 LEU A 55 -2.221 -23.676 10.131 1.00 15.22 H new ATOM 0 HB3 LEU A 55 -3.921 -23.776 10.543 1.00 15.22 H new ATOM 0 HG LEU A 55 -3.490 -24.105 8.190 1.00 52.13 H new ATOM 0 HD11 LEU A 55 -5.114 -22.551 7.217 1.00 63.53 H new ATOM 0 HD12 LEU A 55 -5.646 -23.242 8.769 1.00 63.53 H new ATOM 0 HD13 LEU A 55 -5.033 -21.573 8.702 1.00 63.53 H new ATOM 0 HD21 LEU A 55 -2.875 -22.189 6.743 1.00 75.41 H new ATOM 0 HD22 LEU A 55 -2.602 -21.211 8.205 1.00 75.41 H new ATOM 0 HD23 LEU A 55 -1.583 -22.635 7.883 1.00 75.41 H new ATOM 729 N MET A 56 -5.184 -21.823 12.136 1.00 21.02 N ATOM 730 CA MET A 56 -6.516 -21.297 12.477 1.00 71.32 C ATOM 731 C MET A 56 -6.449 -19.927 13.140 1.00 10.15 C ATOM 732 O MET A 56 -7.342 -19.110 12.961 1.00 52.30 O ATOM 733 CB MET A 56 -7.385 -22.264 13.310 1.00 24.53 C ATOM 734 CG MET A 56 -6.818 -22.694 14.618 1.00 41.12 C ATOM 735 SD MET A 56 -8.025 -22.788 15.939 1.00 63.21 S ATOM 736 CE MET A 56 -8.615 -21.100 15.952 1.00 64.54 C ATOM 0 H MET A 56 -4.902 -22.652 12.658 1.00 21.02 H new ATOM 0 HA MET A 56 -7.016 -21.188 11.515 1.00 71.32 H new ATOM 0 HB2 MET A 56 -8.348 -21.788 13.494 1.00 24.53 H new ATOM 0 HB3 MET A 56 -7.578 -23.154 12.711 1.00 24.53 H new ATOM 0 HG2 MET A 56 -6.351 -23.671 14.496 1.00 41.12 H new ATOM 0 HG3 MET A 56 -6.031 -21.998 14.908 1.00 41.12 H new ATOM 0 HE1 MET A 56 -8.877 -20.814 16.971 1.00 64.54 H new ATOM 0 HE2 MET A 56 -7.833 -20.438 15.579 1.00 64.54 H new ATOM 0 HE3 MET A 56 -9.495 -21.017 15.314 1.00 64.54 H new ATOM 746 N ARG A 57 -5.389 -19.672 13.887 1.00 30.03 N ATOM 747 CA ARG A 57 -5.201 -18.372 14.492 1.00 71.44 C ATOM 748 C ARG A 57 -4.997 -17.309 13.431 1.00 31.14 C ATOM 749 O ARG A 57 -5.495 -16.181 13.539 1.00 24.03 O ATOM 750 CB ARG A 57 -4.036 -18.392 15.385 1.00 64.32 C ATOM 751 CG ARG A 57 -4.342 -19.022 16.700 1.00 21.44 C ATOM 752 CD ARG A 57 -3.096 -19.524 17.309 1.00 55.13 C ATOM 753 NE ARG A 57 -2.103 -18.464 17.630 1.00 3.11 N ATOM 754 CZ ARG A 57 -0.925 -18.267 16.973 1.00 44.04 C ATOM 755 NH1 ARG A 57 -0.742 -18.762 15.743 1.00 54.52 N ATOM 756 NH2 ARG A 57 0.016 -17.499 17.508 1.00 11.40 N ATOM 0 H ARG A 57 -4.650 -20.347 14.087 1.00 30.03 H new ATOM 0 HA ARG A 57 -6.097 -18.135 15.065 1.00 71.44 H new ATOM 0 HB2 ARG A 57 -3.222 -18.936 14.905 1.00 64.32 H new ATOM 0 HB3 ARG A 57 -3.687 -17.372 15.546 1.00 64.32 H new ATOM 0 HG2 ARG A 57 -4.815 -18.296 17.361 1.00 21.44 H new ATOM 0 HG3 ARG A 57 -5.049 -19.841 16.567 1.00 21.44 H new ATOM 0 HD2 ARG A 57 -3.344 -20.063 18.224 1.00 55.13 H new ATOM 0 HD3 ARG A 57 -2.637 -20.242 16.630 1.00 55.13 H new ATOM 0 HE ARG A 57 -2.321 -17.835 18.403 1.00 3.11 H new ATOM 0 HH11 ARG A 57 -1.487 -19.291 15.290 1.00 54.52 H new ATOM 0 HH12 ARG A 57 0.143 -18.610 15.258 1.00 54.52 H new ATOM 0 HH21 ARG A 57 -0.142 -17.055 18.413 1.00 11.40 H new ATOM 0 HH22 ARG A 57 0.897 -17.353 17.015 1.00 11.40 H new ATOM 770 N TRP A 58 -4.264 -17.694 12.389 1.00 4.32 N ATOM 771 CA TRP A 58 -4.005 -16.829 11.257 1.00 75.32 C ATOM 772 C TRP A 58 -5.272 -16.511 10.501 1.00 10.32 C ATOM 773 O TRP A 58 -5.393 -15.439 9.919 1.00 1.12 O ATOM 774 CB TRP A 58 -2.947 -17.417 10.327 1.00 14.55 C ATOM 775 CG TRP A 58 -1.547 -17.218 10.808 1.00 35.44 C ATOM 776 CD1 TRP A 58 -0.698 -18.155 11.299 1.00 52.14 C ATOM 777 CD2 TRP A 58 -0.838 -15.980 10.831 1.00 32.43 C ATOM 778 NE1 TRP A 58 0.500 -17.573 11.637 1.00 31.11 N ATOM 779 CE2 TRP A 58 0.441 -16.233 11.337 1.00 53.32 C ATOM 780 CE3 TRP A 58 -1.169 -14.680 10.460 1.00 31.31 C ATOM 781 CZ2 TRP A 58 1.395 -15.221 11.475 1.00 45.33 C ATOM 782 CZ3 TRP A 58 -0.230 -13.687 10.599 1.00 4.40 C ATOM 783 CH2 TRP A 58 1.032 -13.959 11.095 1.00 73.53 C ATOM 0 H TRP A 58 -3.836 -18.617 12.312 1.00 4.32 H new ATOM 0 HA TRP A 58 -3.611 -15.894 11.655 1.00 75.32 H new ATOM 0 HB2 TRP A 58 -3.133 -18.485 10.209 1.00 14.55 H new ATOM 0 HB3 TRP A 58 -3.051 -16.964 9.341 1.00 14.55 H new ATOM 0 HD1 TRP A 58 -0.930 -19.204 11.408 1.00 52.14 H new ATOM 0 HE1 TRP A 58 1.301 -18.056 12.044 1.00 31.11 H new ATOM 0 HE3 TRP A 58 -2.150 -14.455 10.068 1.00 31.31 H new ATOM 0 HZ2 TRP A 58 2.380 -15.428 11.866 1.00 45.33 H new ATOM 0 HZ3 TRP A 58 -0.482 -12.676 10.316 1.00 4.40 H new ATOM 0 HH2 TRP A 58 1.748 -13.155 11.184 1.00 73.53 H new ATOM 794 N LEU A 59 -6.227 -17.428 10.538 1.00 21.45 N ATOM 795 CA LEU A 59 -7.507 -17.209 9.910 1.00 4.52 C ATOM 796 C LEU A 59 -8.186 -15.990 10.500 1.00 1.14 C ATOM 797 O LEU A 59 -8.724 -15.136 9.766 1.00 44.53 O ATOM 798 CB LEU A 59 -8.423 -18.390 10.084 1.00 54.55 C ATOM 799 CG LEU A 59 -9.759 -18.206 9.434 1.00 43.22 C ATOM 800 CD1 LEU A 59 -9.617 -18.116 7.926 1.00 54.44 C ATOM 801 CD2 LEU A 59 -10.630 -19.308 9.827 1.00 73.11 C ATOM 0 H LEU A 59 -6.132 -18.332 11.000 1.00 21.45 H new ATOM 0 HA LEU A 59 -7.315 -17.060 8.847 1.00 4.52 H new ATOM 0 HB2 LEU A 59 -7.944 -19.277 9.668 1.00 54.55 H new ATOM 0 HB3 LEU A 59 -8.567 -18.575 11.148 1.00 54.55 H new ATOM 0 HG LEU A 59 -10.204 -17.268 9.766 1.00 43.22 H new ATOM 0 HD11 LEU A 59 -10.600 -17.983 7.475 1.00 54.44 H new ATOM 0 HD12 LEU A 59 -8.982 -17.267 7.670 1.00 54.44 H new ATOM 0 HD13 LEU A 59 -9.166 -19.033 7.548 1.00 54.44 H new ATOM 0 HD21 LEU A 59 -11.607 -19.184 9.359 1.00 73.11 H new ATOM 0 HD22 LEU A 59 -10.190 -20.252 9.505 1.00 73.11 H new ATOM 0 HD23 LEU A 59 -10.745 -19.312 10.911 1.00 73.11 H new ATOM 813 N HIS A 60 -8.148 -15.887 11.828 1.00 22.21 N ATOM 814 CA HIS A 60 -8.750 -14.751 12.494 1.00 75.10 C ATOM 815 C HIS A 60 -7.993 -13.540 12.109 1.00 54.42 C ATOM 816 O HIS A 60 -8.574 -12.536 11.920 1.00 33.35 O ATOM 817 CB HIS A 60 -8.691 -14.814 14.009 1.00 53.50 C ATOM 818 CG HIS A 60 -9.161 -16.040 14.636 1.00 60.15 C ATOM 819 ND1 HIS A 60 -10.439 -16.550 14.566 1.00 45.41 N ATOM 820 CD2 HIS A 60 -8.463 -16.856 15.378 1.00 2.23 C ATOM 821 CE1 HIS A 60 -10.451 -17.676 15.284 1.00 24.02 C ATOM 822 NE2 HIS A 60 -9.262 -17.907 15.802 1.00 53.23 N ATOM 0 H HIS A 60 -7.712 -16.569 12.449 1.00 22.21 H new ATOM 0 HA HIS A 60 -9.797 -14.743 12.193 1.00 75.10 H new ATOM 0 HB2 HIS A 60 -7.658 -14.651 14.315 1.00 53.50 H new ATOM 0 HB3 HIS A 60 -9.276 -13.984 14.406 1.00 53.50 H new ATOM 0 HD1 HIS A 60 -11.227 -16.144 14.061 1.00 45.41 H new ATOM 0 HD2 HIS A 60 -7.419 -16.731 15.625 1.00 2.23 H new ATOM 0 HE1 HIS A 60 -11.315 -18.309 15.421 1.00 24.02 H new ATOM 830 N TRP A 61 -6.662 -13.666 11.988 1.00 74.10 N ATOM 831 CA TRP A 61 -5.809 -12.552 11.609 1.00 14.20 C ATOM 832 C TRP A 61 -6.315 -11.907 10.325 1.00 4.52 C ATOM 833 O TRP A 61 -6.464 -10.692 10.281 1.00 51.54 O ATOM 834 CB TRP A 61 -4.330 -12.972 11.491 1.00 21.10 C ATOM 835 CG TRP A 61 -3.401 -11.864 11.048 1.00 61.23 C ATOM 836 CD1 TRP A 61 -2.795 -10.925 11.837 1.00 31.54 C ATOM 837 CD2 TRP A 61 -2.961 -11.601 9.706 1.00 55.40 C ATOM 838 NE1 TRP A 61 -2.029 -10.084 11.064 1.00 53.51 N ATOM 839 CE2 TRP A 61 -2.110 -10.485 9.753 1.00 54.04 C ATOM 840 CE3 TRP A 61 -3.211 -12.202 8.472 1.00 1.20 C ATOM 841 CZ2 TRP A 61 -1.509 -9.959 8.610 1.00 54.35 C ATOM 842 CZ3 TRP A 61 -2.612 -11.681 7.347 1.00 11.01 C ATOM 843 CH2 TRP A 61 -1.773 -10.573 7.423 1.00 0.11 C ATOM 0 H TRP A 61 -6.160 -14.539 12.151 1.00 74.10 H new ATOM 0 HA TRP A 61 -5.857 -11.809 12.405 1.00 14.20 H new ATOM 0 HB2 TRP A 61 -3.993 -13.348 12.457 1.00 21.10 H new ATOM 0 HB3 TRP A 61 -4.254 -13.798 10.784 1.00 21.10 H new ATOM 0 HD1 TRP A 61 -2.902 -10.854 12.909 1.00 31.54 H new ATOM 0 HE1 TRP A 61 -1.488 -9.291 11.409 1.00 53.51 H new ATOM 0 HE3 TRP A 61 -3.863 -13.060 8.400 1.00 1.20 H new ATOM 0 HZ2 TRP A 61 -0.859 -9.098 8.664 1.00 54.35 H new ATOM 0 HZ3 TRP A 61 -2.797 -12.141 6.387 1.00 11.01 H new ATOM 0 HH2 TRP A 61 -1.321 -10.191 6.520 1.00 0.11 H new ATOM 854 N PHE A 62 -6.627 -12.729 9.332 1.00 22.03 N ATOM 855 CA PHE A 62 -7.204 -12.256 8.076 1.00 35.40 C ATOM 856 C PHE A 62 -8.581 -11.627 8.316 1.00 25.55 C ATOM 857 O PHE A 62 -8.861 -10.524 7.881 1.00 33.22 O ATOM 858 CB PHE A 62 -7.322 -13.401 7.064 1.00 43.42 C ATOM 859 CG PHE A 62 -6.023 -13.869 6.486 1.00 40.11 C ATOM 860 CD1 PHE A 62 -5.428 -13.170 5.454 1.00 43.15 C ATOM 861 CD2 PHE A 62 -5.413 -15.014 6.948 1.00 30.15 C ATOM 862 CE1 PHE A 62 -4.246 -13.607 4.897 1.00 33.43 C ATOM 863 CE2 PHE A 62 -4.230 -15.455 6.401 1.00 62.02 C ATOM 864 CZ PHE A 62 -3.645 -14.752 5.371 1.00 10.53 C ATOM 0 H PHE A 62 -6.489 -13.739 9.372 1.00 22.03 H new ATOM 0 HA PHE A 62 -6.537 -11.497 7.667 1.00 35.40 H new ATOM 0 HB2 PHE A 62 -7.812 -14.245 7.549 1.00 43.42 H new ATOM 0 HB3 PHE A 62 -7.971 -13.080 6.249 1.00 43.42 H new ATOM 0 HD1 PHE A 62 -5.894 -12.271 5.079 1.00 43.15 H new ATOM 0 HD2 PHE A 62 -5.870 -15.574 7.751 1.00 30.15 H new ATOM 0 HE1 PHE A 62 -3.791 -13.052 4.090 1.00 33.43 H new ATOM 0 HE2 PHE A 62 -3.761 -16.351 6.779 1.00 62.02 H new ATOM 0 HZ PHE A 62 -2.718 -15.097 4.937 1.00 10.53 H new ATOM 874 N ARG A 63 -9.418 -12.325 9.037 1.00 54.01 N ATOM 875 CA ARG A 63 -10.766 -11.851 9.388 1.00 54.23 C ATOM 876 C ARG A 63 -10.749 -10.536 10.177 1.00 4.21 C ATOM 877 O ARG A 63 -11.653 -9.723 10.082 1.00 14.44 O ATOM 878 CB ARG A 63 -11.469 -12.932 10.191 1.00 52.32 C ATOM 879 CG ARG A 63 -12.324 -13.868 9.371 1.00 33.10 C ATOM 880 CD ARG A 63 -13.665 -13.223 9.061 1.00 2.33 C ATOM 881 NE ARG A 63 -13.586 -12.023 8.172 1.00 50.34 N ATOM 882 CZ ARG A 63 -14.221 -10.836 8.390 1.00 5.44 C ATOM 883 NH1 ARG A 63 -14.773 -10.581 9.584 1.00 25.42 N ATOM 884 NH2 ARG A 63 -14.277 -9.902 7.428 1.00 44.14 N ATOM 0 H ARG A 63 -9.198 -13.249 9.409 1.00 54.01 H new ATOM 0 HA ARG A 63 -11.301 -11.648 8.461 1.00 54.23 H new ATOM 0 HB2 ARG A 63 -10.719 -13.518 10.722 1.00 52.32 H new ATOM 0 HB3 ARG A 63 -12.095 -12.456 10.946 1.00 52.32 H new ATOM 0 HG2 ARG A 63 -11.811 -14.121 8.443 1.00 33.10 H new ATOM 0 HG3 ARG A 63 -12.478 -14.800 9.914 1.00 33.10 H new ATOM 0 HD2 ARG A 63 -14.311 -13.965 8.592 1.00 2.33 H new ATOM 0 HD3 ARG A 63 -14.140 -12.934 9.998 1.00 2.33 H new ATOM 0 HE ARG A 63 -13.010 -12.099 7.334 1.00 50.34 H new ATOM 0 HH11 ARG A 63 -14.718 -11.275 10.330 1.00 25.42 H new ATOM 0 HH12 ARG A 63 -15.248 -9.693 9.747 1.00 25.42 H new ATOM 0 HH21 ARG A 63 -13.842 -10.076 6.522 1.00 44.14 H new ATOM 0 HH22 ARG A 63 -14.755 -9.018 7.603 1.00 44.14 H new ATOM 898 N LYS A 64 -9.707 -10.369 10.907 1.00 61.22 N ATOM 899 CA LYS A 64 -9.456 -9.255 11.795 1.00 23.02 C ATOM 900 C LYS A 64 -8.878 -8.077 10.994 1.00 41.30 C ATOM 901 O LYS A 64 -8.763 -6.973 11.498 1.00 3.33 O ATOM 902 CB LYS A 64 -8.416 -9.787 12.760 1.00 20.14 C ATOM 903 CG LYS A 64 -8.148 -9.080 14.053 1.00 51.42 C ATOM 904 CD LYS A 64 -6.955 -9.775 14.740 1.00 14.34 C ATOM 905 CE LYS A 64 -5.589 -9.237 14.219 1.00 52.01 C ATOM 906 NZ LYS A 64 -5.453 -9.212 12.719 1.00 61.04 N ATOM 0 H LYS A 64 -8.944 -11.046 10.912 1.00 61.22 H new ATOM 0 HA LYS A 64 -10.354 -8.896 12.298 1.00 23.02 H new ATOM 0 HB2 LYS A 64 -8.698 -10.811 13.005 1.00 20.14 H new ATOM 0 HB3 LYS A 64 -7.471 -9.838 12.219 1.00 20.14 H new ATOM 0 HG2 LYS A 64 -7.924 -8.029 13.873 1.00 51.42 H new ATOM 0 HG3 LYS A 64 -9.029 -9.113 14.694 1.00 51.42 H new ATOM 0 HD2 LYS A 64 -7.018 -9.623 15.817 1.00 14.34 H new ATOM 0 HD3 LYS A 64 -7.012 -10.850 14.566 1.00 14.34 H new ATOM 0 HE2 LYS A 64 -5.443 -8.226 14.600 1.00 52.01 H new ATOM 0 HE3 LYS A 64 -4.790 -9.852 14.632 1.00 52.01 H new ATOM 0 HZ1 LYS A 64 -4.463 -9.395 12.457 1.00 61.04 H new ATOM 0 HZ2 LYS A 64 -6.063 -9.944 12.303 1.00 61.04 H new ATOM 0 HZ3 LYS A 64 -5.739 -8.279 12.360 1.00 61.04 H new ATOM 920 N ASN A 65 -8.470 -8.360 9.766 1.00 31.34 N ATOM 921 CA ASN A 65 -7.900 -7.354 8.861 1.00 33.13 C ATOM 922 C ASN A 65 -8.877 -7.024 7.732 1.00 30.05 C ATOM 923 O ASN A 65 -8.680 -6.071 6.987 1.00 25.43 O ATOM 924 CB ASN A 65 -6.541 -7.822 8.281 1.00 5.21 C ATOM 925 CG ASN A 65 -5.367 -7.731 9.262 1.00 61.32 C ATOM 926 OD1 ASN A 65 -5.538 -7.777 10.498 1.00 72.10 O ATOM 927 ND2 ASN A 65 -4.170 -7.670 8.739 1.00 63.04 N ATOM 0 H ASN A 65 -8.522 -9.295 9.361 1.00 31.34 H new ATOM 0 HA ASN A 65 -7.724 -6.449 9.443 1.00 33.13 H new ATOM 0 HB2 ASN A 65 -6.639 -8.855 7.946 1.00 5.21 H new ATOM 0 HB3 ASN A 65 -6.310 -7.222 7.401 1.00 5.21 H new ATOM 0 HD21 ASN A 65 -3.349 -7.659 9.344 1.00 63.04 H new ATOM 0 HD22 ASN A 65 -4.057 -7.633 7.726 1.00 63.04 H new ATOM 934 N GLY A 66 -9.929 -7.821 7.611 1.00 14.44 N ATOM 935 CA GLY A 66 -10.946 -7.550 6.611 1.00 41.04 C ATOM 936 C GLY A 66 -10.977 -8.548 5.462 1.00 23.44 C ATOM 937 O GLY A 66 -11.194 -8.166 4.313 1.00 21.11 O ATOM 0 H GLY A 66 -10.098 -8.648 8.184 1.00 14.44 H new ATOM 0 HA2 GLY A 66 -11.922 -7.541 7.096 1.00 41.04 H new ATOM 0 HA3 GLY A 66 -10.783 -6.552 6.205 1.00 41.04 H new ATOM 941 N TYR A 67 -10.728 -9.815 5.753 1.00 63.24 N ATOM 942 CA TYR A 67 -10.823 -10.859 4.734 1.00 10.32 C ATOM 943 C TYR A 67 -11.757 -11.964 5.235 1.00 70.34 C ATOM 944 O TYR A 67 -11.505 -12.563 6.289 1.00 14.15 O ATOM 945 CB TYR A 67 -9.454 -11.514 4.471 1.00 52.40 C ATOM 946 CG TYR A 67 -8.286 -10.591 4.163 1.00 52.33 C ATOM 947 CD1 TYR A 67 -7.694 -9.850 5.169 1.00 40.40 C ATOM 948 CD2 TYR A 67 -7.751 -10.496 2.884 1.00 41.42 C ATOM 949 CE1 TYR A 67 -6.625 -9.042 4.935 1.00 72.42 C ATOM 950 CE2 TYR A 67 -6.664 -9.675 2.637 1.00 60.25 C ATOM 951 CZ TYR A 67 -6.110 -8.949 3.685 1.00 51.15 C ATOM 952 OH TYR A 67 -5.034 -8.137 3.475 1.00 21.52 O ATOM 0 H TYR A 67 -10.460 -10.148 6.679 1.00 63.24 H new ATOM 0 HA TYR A 67 -11.192 -10.395 3.819 1.00 10.32 H new ATOM 0 HB2 TYR A 67 -9.192 -12.109 5.346 1.00 52.40 H new ATOM 0 HB3 TYR A 67 -9.566 -12.206 3.636 1.00 52.40 H new ATOM 0 HD1 TYR A 67 -8.092 -9.915 6.171 1.00 40.40 H new ATOM 0 HD2 TYR A 67 -8.186 -11.067 2.077 1.00 41.42 H new ATOM 0 HE1 TYR A 67 -6.188 -8.476 5.744 1.00 72.42 H new ATOM 0 HE2 TYR A 67 -6.251 -9.599 1.642 1.00 60.25 H new ATOM 0 HH TYR A 67 -4.865 -7.603 4.279 1.00 21.52 H new ATOM 962 N ARG A 68 -12.846 -12.207 4.554 1.00 13.41 N ATOM 963 CA ARG A 68 -13.698 -13.338 4.880 1.00 23.44 C ATOM 964 C ARG A 68 -13.213 -14.578 4.191 1.00 4.30 C ATOM 965 O ARG A 68 -13.678 -14.929 3.123 1.00 42.24 O ATOM 966 CB ARG A 68 -15.190 -13.105 4.595 1.00 45.54 C ATOM 967 CG ARG A 68 -15.929 -12.307 5.651 1.00 31.33 C ATOM 968 CD ARG A 68 -17.363 -11.998 5.229 1.00 13.32 C ATOM 969 NE ARG A 68 -17.406 -10.980 4.184 1.00 45.41 N ATOM 970 CZ ARG A 68 -17.685 -11.181 2.889 1.00 65.22 C ATOM 971 NH1 ARG A 68 -17.856 -12.411 2.408 1.00 51.43 N ATOM 972 NH2 ARG A 68 -17.731 -10.149 2.059 1.00 74.14 N ATOM 0 H ARG A 68 -13.170 -11.642 3.769 1.00 13.41 H new ATOM 0 HA ARG A 68 -13.622 -13.466 5.960 1.00 23.44 H new ATOM 0 HB2 ARG A 68 -15.285 -12.590 3.639 1.00 45.54 H new ATOM 0 HB3 ARG A 68 -15.679 -14.073 4.485 1.00 45.54 H new ATOM 0 HG2 ARG A 68 -15.938 -12.865 6.588 1.00 31.33 H new ATOM 0 HG3 ARG A 68 -15.397 -11.375 5.840 1.00 31.33 H new ATOM 0 HD2 ARG A 68 -17.842 -12.909 4.871 1.00 13.32 H new ATOM 0 HD3 ARG A 68 -17.932 -11.657 6.094 1.00 13.32 H new ATOM 0 HE ARG A 68 -17.204 -10.021 4.467 1.00 45.41 H new ATOM 0 HH11 ARG A 68 -17.775 -13.217 3.028 1.00 51.43 H new ATOM 0 HH12 ARG A 68 -18.068 -12.547 1.420 1.00 51.43 H new ATOM 0 HH21 ARG A 68 -17.554 -9.207 2.407 1.00 74.14 H new ATOM 0 HH22 ARG A 68 -17.943 -10.297 1.072 1.00 74.14 H new ATOM 986 N LEU A 69 -12.226 -15.173 4.779 1.00 31.53 N ATOM 987 CA LEU A 69 -11.676 -16.395 4.293 1.00 34.21 C ATOM 988 C LEU A 69 -12.153 -17.498 5.196 1.00 61.41 C ATOM 989 O LEU A 69 -12.286 -17.293 6.413 1.00 60.04 O ATOM 990 CB LEU A 69 -10.137 -16.338 4.322 1.00 34.15 C ATOM 991 CG LEU A 69 -9.457 -15.297 3.416 1.00 23.13 C ATOM 992 CD1 LEU A 69 -7.970 -15.223 3.708 1.00 75.21 C ATOM 993 CD2 LEU A 69 -9.652 -15.656 1.960 1.00 52.24 C ATOM 0 H LEU A 69 -11.774 -14.818 5.622 1.00 31.53 H new ATOM 0 HA LEU A 69 -11.993 -16.567 3.264 1.00 34.21 H new ATOM 0 HB2 LEU A 69 -9.825 -16.148 5.349 1.00 34.15 H new ATOM 0 HB3 LEU A 69 -9.757 -17.323 4.050 1.00 34.15 H new ATOM 0 HG LEU A 69 -9.915 -14.329 3.619 1.00 23.13 H new ATOM 0 HD11 LEU A 69 -7.508 -14.481 3.057 1.00 75.21 H new ATOM 0 HD12 LEU A 69 -7.817 -14.938 4.749 1.00 75.21 H new ATOM 0 HD13 LEU A 69 -7.515 -16.197 3.528 1.00 75.21 H new ATOM 0 HD21 LEU A 69 -9.165 -14.909 1.333 1.00 52.24 H new ATOM 0 HD22 LEU A 69 -9.215 -16.635 1.765 1.00 52.24 H new ATOM 0 HD23 LEU A 69 -10.717 -15.683 1.731 1.00 52.24 H new ATOM 1005 N THR A 70 -12.459 -18.611 4.632 1.00 3.02 N ATOM 1006 CA THR A 70 -12.815 -19.758 5.390 1.00 71.42 C ATOM 1007 C THR A 70 -11.518 -20.505 5.659 1.00 50.35 C ATOM 1008 O THR A 70 -10.621 -20.497 4.804 1.00 13.02 O ATOM 1009 CB THR A 70 -13.738 -20.672 4.571 1.00 50.43 C ATOM 1010 OG1 THR A 70 -14.681 -19.879 3.847 1.00 53.33 O ATOM 1011 CG2 THR A 70 -14.497 -21.631 5.484 1.00 21.13 C ATOM 0 H THR A 70 -12.470 -18.753 3.622 1.00 3.02 H new ATOM 0 HA THR A 70 -13.332 -19.471 6.306 1.00 71.42 H new ATOM 0 HB THR A 70 -13.123 -21.249 3.880 1.00 50.43 H new ATOM 0 HG1 THR A 70 -14.240 -19.474 3.071 1.00 53.33 H new ATOM 0 HG21 THR A 70 -15.145 -22.269 4.883 1.00 21.13 H new ATOM 0 HG22 THR A 70 -13.787 -22.249 6.033 1.00 21.13 H new ATOM 0 HG23 THR A 70 -15.102 -21.060 6.189 1.00 21.13 H new ATOM 1019 N LEU A 71 -11.407 -21.161 6.816 1.00 23.14 N ATOM 1020 CA LEU A 71 -10.172 -21.885 7.180 1.00 74.24 C ATOM 1021 C LEU A 71 -9.832 -22.863 6.104 1.00 53.03 C ATOM 1022 O LEU A 71 -8.719 -22.926 5.644 1.00 25.14 O ATOM 1023 CB LEU A 71 -10.342 -22.702 8.464 1.00 74.53 C ATOM 1024 CG LEU A 71 -9.068 -23.293 9.044 1.00 14.44 C ATOM 1025 CD1 LEU A 71 -8.132 -22.194 9.479 1.00 31.12 C ATOM 1026 CD2 LEU A 71 -9.386 -24.192 10.204 1.00 65.23 C ATOM 0 H LEU A 71 -12.147 -21.210 7.517 1.00 23.14 H new ATOM 0 HA LEU A 71 -9.396 -21.132 7.319 1.00 74.24 H new ATOM 0 HB2 LEU A 71 -10.802 -22.065 9.220 1.00 74.53 H new ATOM 0 HB3 LEU A 71 -11.040 -23.515 8.265 1.00 74.53 H new ATOM 0 HG LEU A 71 -8.579 -23.885 8.270 1.00 14.44 H new ATOM 0 HD11 LEU A 71 -7.224 -22.632 9.892 1.00 31.12 H new ATOM 0 HD12 LEU A 71 -7.877 -21.572 8.621 1.00 31.12 H new ATOM 0 HD13 LEU A 71 -8.618 -21.582 10.239 1.00 31.12 H new ATOM 0 HD21 LEU A 71 -8.462 -24.607 10.607 1.00 65.23 H new ATOM 0 HD22 LEU A 71 -9.895 -23.619 10.979 1.00 65.23 H new ATOM 0 HD23 LEU A 71 -10.032 -25.004 9.869 1.00 65.23 H new ATOM 1038 N ARG A 72 -10.864 -23.550 5.665 1.00 0.43 N ATOM 1039 CA ARG A 72 -10.780 -24.649 4.729 1.00 65.11 C ATOM 1040 C ARG A 72 -10.130 -24.226 3.395 1.00 53.33 C ATOM 1041 O ARG A 72 -9.501 -25.033 2.747 1.00 22.12 O ATOM 1042 CB ARG A 72 -12.180 -25.209 4.496 1.00 33.42 C ATOM 1043 CG ARG A 72 -12.901 -25.562 5.794 1.00 3.13 C ATOM 1044 CD ARG A 72 -14.318 -26.056 5.561 1.00 34.35 C ATOM 1045 NE ARG A 72 -15.046 -26.206 6.835 1.00 73.03 N ATOM 1046 CZ ARG A 72 -16.227 -26.810 7.007 1.00 40.11 C ATOM 1047 NH1 ARG A 72 -16.846 -27.402 5.977 1.00 12.11 N ATOM 1048 NH2 ARG A 72 -16.779 -26.820 8.222 1.00 31.13 N ATOM 0 H ARG A 72 -11.820 -23.351 5.961 1.00 0.43 H new ATOM 0 HA ARG A 72 -10.139 -25.420 5.157 1.00 65.11 H new ATOM 0 HB2 ARG A 72 -12.771 -24.478 3.945 1.00 33.42 H new ATOM 0 HB3 ARG A 72 -12.111 -26.099 3.871 1.00 33.42 H new ATOM 0 HG2 ARG A 72 -12.335 -26.329 6.322 1.00 3.13 H new ATOM 0 HG3 ARG A 72 -12.928 -24.685 6.440 1.00 3.13 H new ATOM 0 HD2 ARG A 72 -14.849 -25.356 4.916 1.00 34.35 H new ATOM 0 HD3 ARG A 72 -14.291 -27.013 5.039 1.00 34.35 H new ATOM 0 HE ARG A 72 -14.606 -25.811 7.666 1.00 73.03 H new ATOM 0 HH11 ARG A 72 -16.417 -27.395 5.052 1.00 12.11 H new ATOM 0 HH12 ARG A 72 -17.746 -27.860 6.118 1.00 12.11 H new ATOM 0 HH21 ARG A 72 -16.301 -26.371 9.003 1.00 31.13 H new ATOM 0 HH22 ARG A 72 -17.679 -27.276 8.369 1.00 31.13 H new ATOM 1062 N GLU A 73 -10.269 -22.944 3.028 1.00 42.10 N ATOM 1063 CA GLU A 73 -9.672 -22.415 1.794 1.00 42.22 C ATOM 1064 C GLU A 73 -8.151 -22.395 1.926 1.00 20.43 C ATOM 1065 O GLU A 73 -7.426 -22.931 1.088 1.00 35.44 O ATOM 1066 CB GLU A 73 -10.193 -20.993 1.508 1.00 53.43 C ATOM 1067 CG GLU A 73 -11.680 -20.919 1.181 1.00 43.23 C ATOM 1068 CD GLU A 73 -12.196 -19.490 1.079 1.00 62.30 C ATOM 1069 OE1 GLU A 73 -11.982 -18.834 0.046 1.00 15.45 O ATOM 1070 OE2 GLU A 73 -12.827 -19.018 2.044 1.00 50.34 O ATOM 0 H GLU A 73 -10.790 -22.254 3.569 1.00 42.10 H new ATOM 0 HA GLU A 73 -9.955 -23.061 0.963 1.00 42.22 H new ATOM 0 HB2 GLU A 73 -9.993 -20.365 2.376 1.00 53.43 H new ATOM 0 HB3 GLU A 73 -9.629 -20.574 0.675 1.00 53.43 H new ATOM 0 HG2 GLU A 73 -11.865 -21.435 0.239 1.00 43.23 H new ATOM 0 HG3 GLU A 73 -12.242 -21.449 1.950 1.00 43.23 H new ATOM 1077 N LEU A 74 -7.682 -21.822 3.021 1.00 22.02 N ATOM 1078 CA LEU A 74 -6.252 -21.709 3.281 1.00 14.35 C ATOM 1079 C LEU A 74 -5.671 -23.041 3.651 1.00 0.22 C ATOM 1080 O LEU A 74 -4.527 -23.314 3.394 1.00 12.31 O ATOM 1081 CB LEU A 74 -5.939 -20.754 4.441 1.00 64.34 C ATOM 1082 CG LEU A 74 -6.273 -19.284 4.274 1.00 32.40 C ATOM 1083 CD1 LEU A 74 -7.704 -19.059 4.474 1.00 34.12 C ATOM 1084 CD2 LEU A 74 -5.487 -18.454 5.236 1.00 32.04 C ATOM 0 H LEU A 74 -8.273 -21.424 3.751 1.00 22.02 H new ATOM 0 HA LEU A 74 -5.816 -21.325 2.359 1.00 14.35 H new ATOM 0 HB2 LEU A 74 -6.468 -21.117 5.322 1.00 64.34 H new ATOM 0 HB3 LEU A 74 -4.873 -20.830 4.656 1.00 64.34 H new ATOM 0 HG LEU A 74 -6.008 -18.988 3.259 1.00 32.40 H new ATOM 0 HD11 LEU A 74 -7.926 -17.999 4.351 1.00 34.12 H new ATOM 0 HD12 LEU A 74 -8.269 -19.636 3.742 1.00 34.12 H new ATOM 0 HD13 LEU A 74 -7.985 -19.374 5.479 1.00 34.12 H new ATOM 0 HD21 LEU A 74 -5.740 -17.403 5.101 1.00 32.04 H new ATOM 0 HD22 LEU A 74 -5.725 -18.756 6.256 1.00 32.04 H new ATOM 0 HD23 LEU A 74 -4.422 -18.597 5.054 1.00 32.04 H new ATOM 1096 N TYR A 75 -6.481 -23.828 4.269 1.00 3.13 N ATOM 1097 CA TYR A 75 -6.109 -25.108 4.807 1.00 50.04 C ATOM 1098 C TYR A 75 -5.899 -26.123 3.670 1.00 23.12 C ATOM 1099 O TYR A 75 -5.097 -27.041 3.790 1.00 13.54 O ATOM 1100 CB TYR A 75 -7.254 -25.519 5.721 1.00 23.44 C ATOM 1101 CG TYR A 75 -7.002 -26.485 6.795 1.00 45.40 C ATOM 1102 CD1 TYR A 75 -5.848 -27.240 6.896 1.00 52.41 C ATOM 1103 CD2 TYR A 75 -7.951 -26.597 7.756 1.00 30.05 C ATOM 1104 CE1 TYR A 75 -5.671 -28.087 7.962 1.00 34.22 C ATOM 1105 CE2 TYR A 75 -7.813 -27.416 8.794 1.00 30.12 C ATOM 1106 CZ TYR A 75 -6.662 -28.178 8.918 1.00 74.24 C ATOM 1107 OH TYR A 75 -6.483 -28.997 9.994 1.00 32.35 O ATOM 0 H TYR A 75 -7.462 -23.596 4.424 1.00 3.13 H new ATOM 0 HA TYR A 75 -5.169 -25.066 5.358 1.00 50.04 H new ATOM 0 HB2 TYR A 75 -7.648 -24.613 6.181 1.00 23.44 H new ATOM 0 HB3 TYR A 75 -8.045 -25.927 5.092 1.00 23.44 H new ATOM 0 HD1 TYR A 75 -5.085 -27.163 6.135 1.00 52.41 H new ATOM 0 HD2 TYR A 75 -8.848 -26.002 7.676 1.00 30.05 H new ATOM 0 HE1 TYR A 75 -4.769 -28.674 8.051 1.00 34.22 H new ATOM 0 HE2 TYR A 75 -8.594 -27.487 9.537 1.00 30.12 H new ATOM 0 HH TYR A 75 -7.270 -28.949 10.576 1.00 32.35 H new ATOM 1117 N ALA A 76 -6.619 -25.934 2.570 1.00 1.13 N ATOM 1118 CA ALA A 76 -6.497 -26.812 1.415 1.00 31.23 C ATOM 1119 C ALA A 76 -5.227 -26.497 0.638 1.00 64.33 C ATOM 1120 O ALA A 76 -4.570 -27.389 0.104 1.00 15.30 O ATOM 1121 CB ALA A 76 -7.716 -26.685 0.513 1.00 70.30 C ATOM 0 H ALA A 76 -7.294 -25.178 2.455 1.00 1.13 H new ATOM 0 HA ALA A 76 -6.439 -27.840 1.772 1.00 31.23 H new ATOM 0 HB1 ALA A 76 -7.605 -27.349 -0.344 1.00 70.30 H new ATOM 0 HB2 ALA A 76 -8.612 -26.959 1.071 1.00 70.30 H new ATOM 0 HB3 ALA A 76 -7.806 -25.656 0.165 1.00 70.30 H new ATOM 1127 N ALA A 77 -4.882 -25.229 0.583 1.00 1.34 N ATOM 1128 CA ALA A 77 -3.684 -24.800 -0.101 1.00 22.43 C ATOM 1129 C ALA A 77 -2.907 -23.828 0.773 1.00 43.14 C ATOM 1130 O ALA A 77 -2.979 -22.613 0.577 1.00 33.41 O ATOM 1131 CB ALA A 77 -4.022 -24.161 -1.449 1.00 72.24 C ATOM 0 H ALA A 77 -5.419 -24.473 1.007 1.00 1.34 H new ATOM 0 HA ALA A 77 -3.063 -25.675 -0.293 1.00 22.43 H new ATOM 0 HB1 ALA A 77 -3.103 -23.847 -1.943 1.00 72.24 H new ATOM 0 HB2 ALA A 77 -4.541 -24.886 -2.075 1.00 72.24 H new ATOM 0 HB3 ALA A 77 -4.663 -23.294 -1.290 1.00 72.24 H new ATOM 1137 N PRO A 78 -2.180 -24.326 1.784 1.00 43.41 N ATOM 1138 CA PRO A 78 -1.475 -23.474 2.702 1.00 73.12 C ATOM 1139 C PRO A 78 -0.108 -23.094 2.186 1.00 0.43 C ATOM 1140 O PRO A 78 0.895 -23.766 2.459 1.00 70.11 O ATOM 1141 CB PRO A 78 -1.364 -24.317 3.985 1.00 23.21 C ATOM 1142 CG PRO A 78 -1.836 -25.700 3.611 1.00 51.22 C ATOM 1143 CD PRO A 78 -1.996 -25.734 2.116 1.00 61.32 C ATOM 0 HA PRO A 78 -1.993 -22.528 2.858 1.00 73.12 H new ATOM 0 HB2 PRO A 78 -0.337 -24.340 4.350 1.00 23.21 H new ATOM 0 HB3 PRO A 78 -1.977 -23.897 4.783 1.00 23.21 H new ATOM 0 HG2 PRO A 78 -1.117 -26.452 3.937 1.00 51.22 H new ATOM 0 HG3 PRO A 78 -2.781 -25.929 4.103 1.00 51.22 H new ATOM 0 HD2 PRO A 78 -1.119 -26.155 1.624 1.00 61.32 H new ATOM 0 HD3 PRO A 78 -2.852 -26.337 1.813 1.00 61.32 H new ATOM 1151 N THR A 79 -0.083 -22.035 1.429 1.00 22.34 N ATOM 1152 CA THR A 79 1.108 -21.495 0.841 1.00 24.34 C ATOM 1153 C THR A 79 0.893 -20.012 0.743 1.00 12.04 C ATOM 1154 O THR A 79 -0.252 -19.574 0.620 1.00 1.45 O ATOM 1155 CB THR A 79 1.338 -22.038 -0.609 1.00 12.12 C ATOM 1156 OG1 THR A 79 0.172 -21.798 -1.406 1.00 1.11 O ATOM 1157 CG2 THR A 79 1.661 -23.525 -0.636 1.00 40.01 C ATOM 0 H THR A 79 -0.923 -21.505 1.196 1.00 22.34 H new ATOM 0 HA THR A 79 1.971 -21.770 1.448 1.00 24.34 H new ATOM 0 HB THR A 79 2.199 -21.506 -1.014 1.00 12.12 H new ATOM 0 HG1 THR A 79 0.320 -22.138 -2.313 1.00 1.11 H new ATOM 0 HG21 THR A 79 1.810 -23.846 -1.667 1.00 40.01 H new ATOM 0 HG22 THR A 79 2.569 -23.710 -0.063 1.00 40.01 H new ATOM 0 HG23 THR A 79 0.835 -24.085 -0.198 1.00 40.01 H new ATOM 1165 N LEU A 80 1.941 -19.247 0.781 1.00 44.33 N ATOM 1166 CA LEU A 80 1.819 -17.818 0.633 1.00 23.12 C ATOM 1167 C LEU A 80 1.366 -17.490 -0.779 1.00 72.03 C ATOM 1168 O LEU A 80 0.507 -16.646 -0.978 1.00 25.21 O ATOM 1169 CB LEU A 80 3.141 -17.141 0.982 1.00 33.21 C ATOM 1170 CG LEU A 80 3.223 -16.472 2.359 1.00 22.14 C ATOM 1171 CD1 LEU A 80 2.443 -15.216 2.400 1.00 45.02 C ATOM 1172 CD2 LEU A 80 2.761 -17.383 3.443 1.00 20.31 C ATOM 0 H LEU A 80 2.895 -19.583 0.913 1.00 44.33 H new ATOM 0 HA LEU A 80 1.066 -17.436 1.323 1.00 23.12 H new ATOM 0 HB2 LEU A 80 3.934 -17.886 0.917 1.00 33.21 H new ATOM 0 HB3 LEU A 80 3.349 -16.387 0.223 1.00 33.21 H new ATOM 0 HG LEU A 80 4.274 -16.237 2.527 1.00 22.14 H new ATOM 0 HD11 LEU A 80 2.524 -14.770 3.391 1.00 45.02 H new ATOM 0 HD12 LEU A 80 2.833 -14.521 1.656 1.00 45.02 H new ATOM 0 HD13 LEU A 80 1.397 -15.430 2.183 1.00 45.02 H new ATOM 0 HD21 LEU A 80 2.834 -16.872 4.403 1.00 20.31 H new ATOM 0 HD22 LEU A 80 1.725 -17.668 3.262 1.00 20.31 H new ATOM 0 HD23 LEU A 80 3.385 -18.276 3.458 1.00 20.31 H new ATOM 1184 N ALA A 81 1.880 -18.252 -1.737 1.00 3.44 N ATOM 1185 CA ALA A 81 1.558 -18.085 -3.152 1.00 4.52 C ATOM 1186 C ALA A 81 0.042 -18.174 -3.430 1.00 4.42 C ATOM 1187 O ALA A 81 -0.515 -17.327 -4.137 1.00 34.10 O ATOM 1188 CB ALA A 81 2.311 -19.111 -3.984 1.00 5.23 C ATOM 0 H ALA A 81 2.538 -19.010 -1.554 1.00 3.44 H new ATOM 0 HA ALA A 81 1.874 -17.082 -3.438 1.00 4.52 H new ATOM 0 HB1 ALA A 81 2.064 -18.978 -5.037 1.00 5.23 H new ATOM 0 HB2 ALA A 81 3.384 -18.977 -3.843 1.00 5.23 H new ATOM 0 HB3 ALA A 81 2.026 -20.115 -3.669 1.00 5.23 H new ATOM 1194 N ALA A 82 -0.627 -19.182 -2.865 1.00 74.43 N ATOM 1195 CA ALA A 82 -2.062 -19.333 -3.091 1.00 1.03 C ATOM 1196 C ALA A 82 -2.848 -18.309 -2.316 1.00 12.15 C ATOM 1197 O ALA A 82 -3.854 -17.800 -2.802 1.00 3.21 O ATOM 1198 CB ALA A 82 -2.552 -20.723 -2.739 1.00 63.02 C ATOM 0 H ALA A 82 -0.208 -19.890 -2.262 1.00 74.43 H new ATOM 0 HA ALA A 82 -2.224 -19.175 -4.157 1.00 1.03 H new ATOM 0 HB1 ALA A 82 -3.624 -20.788 -2.923 1.00 63.02 H new ATOM 0 HB2 ALA A 82 -2.033 -21.458 -3.354 1.00 63.02 H new ATOM 0 HB3 ALA A 82 -2.352 -20.924 -1.687 1.00 63.02 H new ATOM 1204 N TRP A 83 -2.387 -17.989 -1.124 1.00 1.33 N ATOM 1205 CA TRP A 83 -3.088 -17.034 -0.290 1.00 72.30 C ATOM 1206 C TRP A 83 -3.045 -15.665 -0.895 1.00 51.32 C ATOM 1207 O TRP A 83 -4.024 -14.962 -0.852 1.00 32.33 O ATOM 1208 CB TRP A 83 -2.571 -17.025 1.131 1.00 64.21 C ATOM 1209 CG TRP A 83 -2.799 -18.314 1.858 1.00 50.53 C ATOM 1210 CD1 TRP A 83 -3.469 -19.416 1.423 1.00 74.41 C ATOM 1211 CD2 TRP A 83 -2.395 -18.603 3.166 1.00 75.21 C ATOM 1212 NE1 TRP A 83 -3.431 -20.388 2.360 1.00 34.24 N ATOM 1213 CE2 TRP A 83 -2.803 -19.908 3.454 1.00 2.22 C ATOM 1214 CE3 TRP A 83 -1.721 -17.887 4.110 1.00 42.42 C ATOM 1215 CZ2 TRP A 83 -2.559 -20.508 4.661 1.00 62.11 C ATOM 1216 CZ3 TRP A 83 -1.480 -18.477 5.339 1.00 42.14 C ATOM 1217 CH2 TRP A 83 -1.908 -19.786 5.596 1.00 71.42 C ATOM 0 H TRP A 83 -1.536 -18.373 -0.713 1.00 1.33 H new ATOM 0 HA TRP A 83 -4.129 -17.352 -0.241 1.00 72.30 H new ATOM 0 HB2 TRP A 83 -1.503 -16.808 1.119 1.00 64.21 H new ATOM 0 HB3 TRP A 83 -3.055 -16.217 1.680 1.00 64.21 H new ATOM 0 HD1 TRP A 83 -3.961 -19.501 0.465 1.00 74.41 H new ATOM 0 HE1 TRP A 83 -3.813 -21.328 2.258 1.00 34.24 H new ATOM 0 HE3 TRP A 83 -1.383 -16.882 3.904 1.00 42.42 H new ATOM 0 HZ2 TRP A 83 -2.876 -21.522 4.857 1.00 62.11 H new ATOM 0 HZ3 TRP A 83 -0.958 -17.924 6.106 1.00 42.14 H new ATOM 0 HH2 TRP A 83 -1.713 -20.226 6.563 1.00 71.42 H new ATOM 1228 N ASN A 84 -1.903 -15.312 -1.467 1.00 25.12 N ATOM 1229 CA ASN A 84 -1.740 -14.055 -2.250 1.00 52.02 C ATOM 1230 C ASN A 84 -2.907 -13.930 -3.236 1.00 20.44 C ATOM 1231 O ASN A 84 -3.651 -12.946 -3.220 1.00 35.44 O ATOM 1232 CB ASN A 84 -0.419 -14.102 -3.047 1.00 13.30 C ATOM 1233 CG ASN A 84 0.007 -12.765 -3.665 1.00 31.55 C ATOM 1234 OD1 ASN A 84 -0.803 -11.914 -4.011 1.00 75.04 O ATOM 1235 ND2 ASN A 84 1.301 -12.576 -3.793 1.00 42.42 N ATOM 0 H ASN A 84 -1.054 -15.875 -1.413 1.00 25.12 H new ATOM 0 HA ASN A 84 -1.724 -13.204 -1.569 1.00 52.02 H new ATOM 0 HB2 ASN A 84 0.375 -14.450 -2.387 1.00 13.30 H new ATOM 0 HB3 ASN A 84 -0.518 -14.839 -3.844 1.00 13.30 H new ATOM 0 HD21 ASN A 84 1.652 -11.704 -4.189 1.00 42.42 H new ATOM 0 HD22 ASN A 84 1.954 -13.301 -3.497 1.00 42.42 H new ATOM 1242 N GLN A 85 -3.097 -14.990 -4.020 1.00 15.42 N ATOM 1243 CA GLN A 85 -4.171 -15.095 -5.007 1.00 32.21 C ATOM 1244 C GLN A 85 -5.541 -14.879 -4.335 1.00 43.21 C ATOM 1245 O GLN A 85 -6.367 -14.076 -4.797 1.00 63.23 O ATOM 1246 CB GLN A 85 -4.101 -16.494 -5.666 1.00 25.41 C ATOM 1247 CG GLN A 85 -5.182 -16.787 -6.698 1.00 44.30 C ATOM 1248 CD GLN A 85 -5.148 -15.836 -7.870 1.00 51.13 C ATOM 1249 OE1 GLN A 85 -5.786 -14.808 -7.856 1.00 43.44 O ATOM 1250 NE2 GLN A 85 -4.407 -16.179 -8.890 1.00 0.13 N ATOM 0 H GLN A 85 -2.498 -15.815 -3.987 1.00 15.42 H new ATOM 0 HA GLN A 85 -4.049 -14.325 -5.769 1.00 32.21 H new ATOM 0 HB2 GLN A 85 -3.128 -16.603 -6.144 1.00 25.41 H new ATOM 0 HB3 GLN A 85 -4.157 -17.249 -4.882 1.00 25.41 H new ATOM 0 HG2 GLN A 85 -5.063 -17.808 -7.061 1.00 44.30 H new ATOM 0 HG3 GLN A 85 -6.159 -16.731 -6.219 1.00 44.30 H new ATOM 0 HE21 GLN A 85 -3.882 -17.053 -8.868 1.00 0.13 H new ATOM 0 HE22 GLN A 85 -4.353 -15.572 -9.708 1.00 0.13 H new ATOM 1259 N LEU A 86 -5.741 -15.560 -3.220 1.00 62.51 N ATOM 1260 CA LEU A 86 -6.980 -15.492 -2.461 1.00 54.42 C ATOM 1261 C LEU A 86 -7.226 -14.085 -1.887 1.00 54.21 C ATOM 1262 O LEU A 86 -8.348 -13.640 -1.803 1.00 33.42 O ATOM 1263 CB LEU A 86 -6.947 -16.510 -1.309 1.00 65.15 C ATOM 1264 CG LEU A 86 -6.743 -17.981 -1.706 1.00 50.11 C ATOM 1265 CD1 LEU A 86 -6.656 -18.851 -0.483 1.00 64.45 C ATOM 1266 CD2 LEU A 86 -7.862 -18.476 -2.605 1.00 33.24 C ATOM 0 H LEU A 86 -5.043 -16.181 -2.812 1.00 62.51 H new ATOM 0 HA LEU A 86 -7.795 -15.726 -3.146 1.00 54.42 H new ATOM 0 HB2 LEU A 86 -6.148 -16.226 -0.624 1.00 65.15 H new ATOM 0 HB3 LEU A 86 -7.883 -16.431 -0.756 1.00 65.15 H new ATOM 0 HG LEU A 86 -5.806 -18.041 -2.260 1.00 50.11 H new ATOM 0 HD11 LEU A 86 -6.512 -19.889 -0.784 1.00 64.45 H new ATOM 0 HD12 LEU A 86 -5.815 -18.531 0.132 1.00 64.45 H new ATOM 0 HD13 LEU A 86 -7.579 -18.765 0.091 1.00 64.45 H new ATOM 0 HD21 LEU A 86 -7.685 -19.519 -2.866 1.00 33.24 H new ATOM 0 HD22 LEU A 86 -8.814 -18.389 -2.082 1.00 33.24 H new ATOM 0 HD23 LEU A 86 -7.891 -17.875 -3.514 1.00 33.24 H new ATOM 1278 N MET A 87 -6.159 -13.384 -1.558 1.00 4.04 N ATOM 1279 CA MET A 87 -6.235 -12.099 -0.860 1.00 23.33 C ATOM 1280 C MET A 87 -6.481 -11.006 -1.833 1.00 74.52 C ATOM 1281 O MET A 87 -7.314 -10.127 -1.628 1.00 53.33 O ATOM 1282 CB MET A 87 -4.927 -11.813 -0.094 1.00 51.51 C ATOM 1283 CG MET A 87 -4.670 -12.737 1.088 1.00 42.53 C ATOM 1284 SD MET A 87 -3.064 -12.462 1.872 1.00 34.11 S ATOM 1285 CE MET A 87 -3.272 -10.812 2.525 1.00 3.22 C ATOM 0 H MET A 87 -5.206 -13.684 -1.765 1.00 4.04 H new ATOM 0 HA MET A 87 -7.058 -12.149 -0.147 1.00 23.33 H new ATOM 0 HB2 MET A 87 -4.090 -11.891 -0.788 1.00 51.51 H new ATOM 0 HB3 MET A 87 -4.949 -10.784 0.264 1.00 51.51 H new ATOM 0 HG2 MET A 87 -5.457 -12.596 1.829 1.00 42.53 H new ATOM 0 HG3 MET A 87 -4.730 -13.772 0.751 1.00 42.53 H new ATOM 0 HE1 MET A 87 -2.411 -10.553 3.142 1.00 3.22 H new ATOM 0 HE2 MET A 87 -3.355 -10.103 1.702 1.00 3.22 H new ATOM 0 HE3 MET A 87 -4.177 -10.772 3.131 1.00 3.22 H new ATOM 1295 N LEU A 88 -5.767 -11.081 -2.900 1.00 51.52 N ATOM 1296 CA LEU A 88 -5.782 -10.119 -3.895 1.00 54.42 C ATOM 1297 C LEU A 88 -7.092 -10.130 -4.703 1.00 12.50 C ATOM 1298 O LEU A 88 -7.757 -9.098 -4.798 1.00 0.42 O ATOM 1299 CB LEU A 88 -4.552 -10.338 -4.763 1.00 24.01 C ATOM 1300 CG LEU A 88 -4.620 -9.752 -6.115 1.00 23.13 C ATOM 1301 CD1 LEU A 88 -4.681 -8.222 -6.066 1.00 63.40 C ATOM 1302 CD2 LEU A 88 -3.506 -10.243 -7.004 1.00 45.10 C ATOM 0 H LEU A 88 -5.135 -11.858 -3.093 1.00 51.52 H new ATOM 0 HA LEU A 88 -5.745 -9.124 -3.452 1.00 54.42 H new ATOM 0 HB2 LEU A 88 -3.686 -9.922 -4.248 1.00 24.01 H new ATOM 0 HB3 LEU A 88 -4.381 -11.410 -4.858 1.00 24.01 H new ATOM 0 HG LEU A 88 -5.552 -10.097 -6.564 1.00 23.13 H new ATOM 0 HD11 LEU A 88 -4.730 -7.827 -7.081 1.00 63.40 H new ATOM 0 HD12 LEU A 88 -5.567 -7.911 -5.512 1.00 63.40 H new ATOM 0 HD13 LEU A 88 -3.790 -7.838 -5.570 1.00 63.40 H new ATOM 0 HD21 LEU A 88 -3.597 -9.785 -7.989 1.00 45.10 H new ATOM 0 HD22 LEU A 88 -2.545 -9.973 -6.566 1.00 45.10 H new ATOM 0 HD23 LEU A 88 -3.569 -11.327 -7.101 1.00 45.10 H new ATOM 1314 N SER A 89 -7.477 -11.271 -5.224 1.00 1.33 N ATOM 1315 CA SER A 89 -8.634 -11.343 -6.101 1.00 35.34 C ATOM 1316 C SER A 89 -9.979 -11.004 -5.426 1.00 55.22 C ATOM 1317 O SER A 89 -10.894 -10.531 -6.092 1.00 62.10 O ATOM 1318 CB SER A 89 -8.667 -12.676 -6.837 1.00 1.04 C ATOM 1319 OG SER A 89 -7.523 -12.782 -7.669 1.00 62.44 O ATOM 0 H SER A 89 -7.011 -12.163 -5.060 1.00 1.33 H new ATOM 0 HA SER A 89 -8.506 -10.547 -6.834 1.00 35.34 H new ATOM 0 HB2 SER A 89 -8.688 -13.499 -6.122 1.00 1.04 H new ATOM 0 HB3 SER A 89 -9.574 -12.751 -7.436 1.00 1.04 H new ATOM 0 HG SER A 89 -7.065 -13.630 -7.490 1.00 62.44 H new