USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 819 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 95 LYS NZ :NH3+ 179:sc= 0.943 (180deg=-0.0943) USER MOD Set 1.2: A 96 TYR OH : rot 15:sc= 1.26 USER MOD Set 2.1: A 23 TYR OH : rot 100:sc= 0.36 USER MOD Set 2.2: A 65 SER OG : rot -165:sc= 0.751 USER MOD Single : A 3 GLN : amide:sc= -0.575 X(o=-0.57,f=-0.33) USER MOD Single : A 7 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.096) USER MOD Single : A 13 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.032) USER MOD Single : A 14 GLN : amide:sc= 0.355 K(o=0.36,f=-0.81) USER MOD Single : A 17 LYS NZ :NH3+ -167:sc= 1.26 (180deg=1.14) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 80:sc= -0.67 USER MOD Single : A 22 THR OG1 : rot -63:sc= 0.309 USER MOD Single : A 28 LYS NZ :NH3+ 165:sc= -0.0117 (180deg=-0.235) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.18) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 50 SER OG : rot 100:sc= -0.746 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.793 K(o=-0.79,f=-7.2!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -170:sc=-0.00613 (180deg=-0.107) USER MOD Single : A 74 GLN : amide:sc= -1.56 K(o=-1.6,f=-4!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -134:sc= 1.03 (180deg=-0.755) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -16.093 -4.137 9.484 1.00 23.22 N ATOM 21 CA ASP A 2 -16.469 -5.225 8.572 1.00 72.40 C ATOM 22 C ASP A 2 -15.367 -6.291 8.432 1.00 2.02 C ATOM 23 O ASP A 2 -14.180 -6.003 8.607 1.00 2.51 O ATOM 24 CB ASP A 2 -16.784 -4.642 7.191 1.00 55.32 C ATOM 25 CG ASP A 2 -17.848 -3.566 7.249 1.00 73.44 C ATOM 26 OD1 ASP A 2 -17.548 -2.451 7.730 1.00 31.31 O ATOM 27 OD2 ASP A 2 -18.988 -3.828 6.818 1.00 4.35 O ATOM 0 HA ASP A 2 -17.345 -5.715 8.997 1.00 72.40 H new ATOM 0 HB2 ASP A 2 -15.874 -4.226 6.759 1.00 55.32 H new ATOM 0 HB3 ASP A 2 -17.115 -5.442 6.529 1.00 55.32 H new ATOM 32 N GLN A 3 -15.771 -7.519 8.101 1.00 72.01 N ATOM 33 CA GLN A 3 -14.817 -8.607 7.849 1.00 24.35 C ATOM 34 C GLN A 3 -13.818 -8.234 6.751 1.00 43.14 C ATOM 35 O GLN A 3 -12.638 -8.565 6.843 1.00 53.04 O ATOM 36 CB GLN A 3 -15.550 -9.903 7.479 1.00 63.12 C ATOM 37 CG GLN A 3 -16.297 -10.536 8.644 1.00 42.10 C ATOM 38 CD GLN A 3 -15.388 -10.823 9.831 1.00 34.43 C ATOM 39 OE1 GLN A 3 -14.784 -11.885 9.924 1.00 52.22 O ATOM 40 NE2 GLN A 3 -15.285 -9.880 10.749 1.00 15.11 N ATOM 0 H GLN A 3 -16.750 -7.787 8.001 1.00 72.01 H new ATOM 0 HA GLN A 3 -14.260 -8.771 8.772 1.00 24.35 H new ATOM 0 HB2 GLN A 3 -16.257 -9.694 6.676 1.00 63.12 H new ATOM 0 HB3 GLN A 3 -14.828 -10.620 7.089 1.00 63.12 H new ATOM 0 HG2 GLN A 3 -17.102 -9.872 8.959 1.00 42.10 H new ATOM 0 HG3 GLN A 3 -16.761 -11.465 8.312 1.00 42.10 H new ATOM 0 HE21 GLN A 3 -15.801 -9.006 10.643 1.00 15.11 H new ATOM 0 HE22 GLN A 3 -14.690 -10.025 11.564 1.00 15.11 H new ATOM 49 N PHE A 4 -14.298 -7.535 5.721 1.00 14.24 N ATOM 50 CA PHE A 4 -13.420 -6.998 4.676 1.00 0.50 C ATOM 51 C PHE A 4 -12.231 -6.249 5.295 1.00 32.23 C ATOM 52 O PHE A 4 -11.071 -6.512 4.967 1.00 22.14 O ATOM 53 CB PHE A 4 -14.217 -6.059 3.758 1.00 31.51 C ATOM 54 CG PHE A 4 -13.364 -5.238 2.824 1.00 73.23 C ATOM 55 CD1 PHE A 4 -12.621 -5.844 1.820 1.00 42.33 C ATOM 56 CD2 PHE A 4 -13.306 -3.856 2.950 1.00 64.42 C ATOM 57 CE1 PHE A 4 -11.840 -5.090 0.967 1.00 50.22 C ATOM 58 CE2 PHE A 4 -12.528 -3.100 2.098 1.00 70.21 C ATOM 59 CZ PHE A 4 -11.793 -3.719 1.105 1.00 31.43 C ATOM 0 H PHE A 4 -15.287 -7.327 5.587 1.00 14.24 H new ATOM 0 HA PHE A 4 -13.031 -7.829 4.088 1.00 0.50 H new ATOM 0 HB2 PHE A 4 -14.915 -6.652 3.168 1.00 31.51 H new ATOM 0 HB3 PHE A 4 -14.813 -5.386 4.374 1.00 31.51 H new ATOM 0 HD1 PHE A 4 -12.654 -6.917 1.705 1.00 42.33 H new ATOM 0 HD2 PHE A 4 -13.877 -3.367 3.725 1.00 64.42 H new ATOM 0 HE1 PHE A 4 -11.266 -5.574 0.191 1.00 50.22 H new ATOM 0 HE2 PHE A 4 -12.493 -2.026 2.207 1.00 70.21 H new ATOM 0 HZ PHE A 4 -11.182 -3.129 0.437 1.00 31.43 H new ATOM 69 N LEU A 5 -12.537 -5.337 6.212 1.00 22.23 N ATOM 70 CA LEU A 5 -11.518 -4.553 6.907 1.00 13.52 C ATOM 71 C LEU A 5 -10.610 -5.454 7.760 1.00 30.20 C ATOM 72 O LEU A 5 -9.386 -5.359 7.698 1.00 22.15 O ATOM 73 CB LEU A 5 -12.199 -3.499 7.792 1.00 71.52 C ATOM 74 CG LEU A 5 -13.168 -2.559 7.056 1.00 43.32 C ATOM 75 CD1 LEU A 5 -13.914 -1.674 8.045 1.00 4.44 C ATOM 76 CD2 LEU A 5 -12.424 -1.713 6.025 1.00 32.35 C ATOM 0 H LEU A 5 -13.493 -5.120 6.494 1.00 22.23 H new ATOM 0 HA LEU A 5 -10.894 -4.058 6.163 1.00 13.52 H new ATOM 0 HB2 LEU A 5 -12.745 -4.010 8.585 1.00 71.52 H new ATOM 0 HB3 LEU A 5 -11.428 -2.897 8.273 1.00 71.52 H new ATOM 0 HG LEU A 5 -13.900 -3.170 6.527 1.00 43.32 H new ATOM 0 HD11 LEU A 5 -14.594 -1.017 7.504 1.00 4.44 H new ATOM 0 HD12 LEU A 5 -14.484 -2.298 8.734 1.00 4.44 H new ATOM 0 HD13 LEU A 5 -13.199 -1.073 8.607 1.00 4.44 H new ATOM 0 HD21 LEU A 5 -13.129 -1.056 5.517 1.00 32.35 H new ATOM 0 HD22 LEU A 5 -11.665 -1.113 6.526 1.00 32.35 H new ATOM 0 HD23 LEU A 5 -11.946 -2.366 5.295 1.00 32.35 H new ATOM 88 N VAL A 6 -11.224 -6.336 8.546 1.00 51.13 N ATOM 89 CA VAL A 6 -10.477 -7.256 9.415 1.00 61.53 C ATOM 90 C VAL A 6 -9.489 -8.128 8.618 1.00 42.04 C ATOM 91 O VAL A 6 -8.353 -8.347 9.045 1.00 4.43 O ATOM 92 CB VAL A 6 -11.441 -8.171 10.216 1.00 33.41 C ATOM 93 CG1 VAL A 6 -10.667 -9.131 11.121 1.00 34.02 C ATOM 94 CG2 VAL A 6 -12.425 -7.328 11.028 1.00 52.03 C ATOM 0 H VAL A 6 -12.237 -6.437 8.602 1.00 51.13 H new ATOM 0 HA VAL A 6 -9.907 -6.637 10.108 1.00 61.53 H new ATOM 0 HB VAL A 6 -12.008 -8.772 9.505 1.00 33.41 H new ATOM 0 HG11 VAL A 6 -11.369 -9.759 11.670 1.00 34.02 H new ATOM 0 HG12 VAL A 6 -10.016 -9.759 10.513 1.00 34.02 H new ATOM 0 HG13 VAL A 6 -10.064 -8.559 11.826 1.00 34.02 H new ATOM 0 HG21 VAL A 6 -13.094 -7.985 11.584 1.00 52.03 H new ATOM 0 HG22 VAL A 6 -11.874 -6.697 11.725 1.00 52.03 H new ATOM 0 HG23 VAL A 6 -13.009 -6.701 10.354 1.00 52.03 H new ATOM 104 N GLN A 7 -9.922 -8.608 7.452 1.00 3.33 N ATOM 105 CA GLN A 7 -9.096 -9.491 6.624 1.00 44.12 C ATOM 106 C GLN A 7 -7.955 -8.732 5.924 1.00 2.12 C ATOM 107 O GLN A 7 -6.800 -9.154 5.993 1.00 1.11 O ATOM 108 CB GLN A 7 -9.965 -10.226 5.592 1.00 42.24 C ATOM 109 CG GLN A 7 -11.018 -11.144 6.211 1.00 32.52 C ATOM 110 CD GLN A 7 -10.415 -12.226 7.096 1.00 61.01 C ATOM 111 OE1 GLN A 7 -10.101 -13.322 6.639 1.00 22.33 O ATOM 112 NE2 GLN A 7 -10.240 -11.924 8.369 1.00 74.32 N ATOM 0 H GLN A 7 -10.840 -8.401 7.058 1.00 3.33 H new ATOM 0 HA GLN A 7 -8.637 -10.222 7.289 1.00 44.12 H new ATOM 0 HB2 GLN A 7 -10.464 -9.490 4.962 1.00 42.24 H new ATOM 0 HB3 GLN A 7 -9.319 -10.816 4.942 1.00 42.24 H new ATOM 0 HG2 GLN A 7 -11.713 -10.546 6.800 1.00 32.52 H new ATOM 0 HG3 GLN A 7 -11.596 -11.613 5.415 1.00 32.52 H new ATOM 0 HE21 GLN A 7 -10.512 -11.004 8.717 1.00 74.32 H new ATOM 0 HE22 GLN A 7 -9.833 -12.610 9.005 1.00 74.32 H new ATOM 121 N ILE A 8 -8.263 -7.613 5.261 1.00 20.33 N ATOM 122 CA ILE A 8 -7.221 -6.839 4.568 1.00 34.42 C ATOM 123 C ILE A 8 -6.134 -6.361 5.550 1.00 51.10 C ATOM 124 O ILE A 8 -4.944 -6.407 5.235 1.00 53.30 O ATOM 125 CB ILE A 8 -7.793 -5.633 3.770 1.00 44.23 C ATOM 126 CG1 ILE A 8 -8.505 -4.633 4.696 1.00 33.40 C ATOM 127 CG2 ILE A 8 -8.737 -6.124 2.670 1.00 33.52 C ATOM 128 CD1 ILE A 8 -9.072 -3.422 3.978 1.00 34.50 C ATOM 0 H ILE A 8 -9.204 -7.226 5.188 1.00 20.33 H new ATOM 0 HA ILE A 8 -6.771 -7.519 3.845 1.00 34.42 H new ATOM 0 HB ILE A 8 -6.958 -5.110 3.305 1.00 44.23 H new ATOM 0 HG12 ILE A 8 -9.314 -5.147 5.215 1.00 33.40 H new ATOM 0 HG13 ILE A 8 -7.802 -4.295 5.458 1.00 33.40 H new ATOM 0 HG21 ILE A 8 -9.130 -5.269 2.120 1.00 33.52 H new ATOM 0 HG22 ILE A 8 -8.192 -6.776 1.987 1.00 33.52 H new ATOM 0 HG23 ILE A 8 -9.562 -6.677 3.119 1.00 33.52 H new ATOM 0 HD11 ILE A 8 -9.558 -2.765 4.700 1.00 34.50 H new ATOM 0 HD12 ILE A 8 -8.265 -2.882 3.482 1.00 34.50 H new ATOM 0 HD13 ILE A 8 -9.801 -3.747 3.236 1.00 34.50 H new ATOM 140 N PHE A 9 -6.542 -5.929 6.749 1.00 44.12 N ATOM 141 CA PHE A 9 -5.586 -5.618 7.824 1.00 5.54 C ATOM 142 C PHE A 9 -4.728 -6.852 8.154 1.00 61.52 C ATOM 143 O PHE A 9 -3.498 -6.772 8.223 1.00 3.10 O ATOM 144 CB PHE A 9 -6.321 -5.141 9.093 1.00 63.50 C ATOM 145 CG PHE A 9 -6.781 -3.698 9.057 1.00 62.45 C ATOM 146 CD1 PHE A 9 -7.510 -3.201 7.985 1.00 51.53 C ATOM 147 CD2 PHE A 9 -6.495 -2.841 10.113 1.00 25.02 C ATOM 148 CE1 PHE A 9 -7.942 -1.889 7.965 1.00 3.22 C ATOM 149 CE2 PHE A 9 -6.922 -1.526 10.096 1.00 20.20 C ATOM 150 CZ PHE A 9 -7.647 -1.050 9.021 1.00 64.15 C ATOM 0 H PHE A 9 -7.520 -5.787 7.001 1.00 44.12 H new ATOM 0 HA PHE A 9 -4.937 -4.815 7.474 1.00 5.54 H new ATOM 0 HB2 PHE A 9 -7.189 -5.780 9.255 1.00 63.50 H new ATOM 0 HB3 PHE A 9 -5.661 -5.276 9.950 1.00 63.50 H new ATOM 0 HD1 PHE A 9 -7.743 -3.850 7.154 1.00 51.53 H new ATOM 0 HD2 PHE A 9 -5.932 -3.207 10.958 1.00 25.02 H new ATOM 0 HE1 PHE A 9 -8.510 -1.520 7.124 1.00 3.22 H new ATOM 0 HE2 PHE A 9 -6.689 -0.871 10.923 1.00 20.20 H new ATOM 0 HZ PHE A 9 -7.982 -0.024 9.007 1.00 64.15 H new ATOM 160 N ALA A 10 -5.391 -7.997 8.328 1.00 23.42 N ATOM 161 CA ALA A 10 -4.713 -9.260 8.651 1.00 61.20 C ATOM 162 C ALA A 10 -3.709 -9.682 7.563 1.00 73.51 C ATOM 163 O ALA A 10 -2.855 -10.541 7.794 1.00 63.44 O ATOM 164 CB ALA A 10 -5.742 -10.362 8.873 1.00 55.33 C ATOM 0 H ALA A 10 -6.405 -8.078 8.250 1.00 23.42 H new ATOM 0 HA ALA A 10 -4.145 -9.098 9.567 1.00 61.20 H new ATOM 0 HB1 ALA A 10 -5.231 -11.295 9.112 1.00 55.33 H new ATOM 0 HB2 ALA A 10 -6.398 -10.086 9.699 1.00 55.33 H new ATOM 0 HB3 ALA A 10 -6.334 -10.495 7.968 1.00 55.33 H new ATOM 170 N VAL A 11 -3.832 -9.101 6.372 1.00 44.15 N ATOM 171 CA VAL A 11 -2.877 -9.350 5.285 1.00 52.41 C ATOM 172 C VAL A 11 -1.740 -8.307 5.288 1.00 13.52 C ATOM 173 O VAL A 11 -0.560 -8.660 5.268 1.00 50.12 O ATOM 174 CB VAL A 11 -3.582 -9.332 3.903 1.00 11.31 C ATOM 175 CG1 VAL A 11 -2.595 -9.651 2.782 1.00 71.31 C ATOM 176 CG2 VAL A 11 -4.758 -10.308 3.880 1.00 44.33 C ATOM 0 H VAL A 11 -4.582 -8.454 6.131 1.00 44.15 H new ATOM 0 HA VAL A 11 -2.452 -10.339 5.456 1.00 52.41 H new ATOM 0 HB VAL A 11 -3.970 -8.327 3.737 1.00 11.31 H new ATOM 0 HG11 VAL A 11 -3.114 -9.632 1.824 1.00 71.31 H new ATOM 0 HG12 VAL A 11 -1.797 -8.908 2.777 1.00 71.31 H new ATOM 0 HG13 VAL A 11 -2.168 -10.641 2.944 1.00 71.31 H new ATOM 0 HG21 VAL A 11 -5.237 -10.278 2.901 1.00 44.33 H new ATOM 0 HG22 VAL A 11 -4.397 -11.318 4.076 1.00 44.33 H new ATOM 0 HG23 VAL A 11 -5.480 -10.026 4.646 1.00 44.33 H new ATOM 186 N ILE A 12 -2.107 -7.025 5.342 1.00 73.25 N ATOM 187 CA ILE A 12 -1.136 -5.920 5.259 1.00 2.44 C ATOM 188 C ILE A 12 -0.057 -5.987 6.359 1.00 71.21 C ATOM 189 O ILE A 12 1.111 -5.680 6.108 1.00 65.41 O ATOM 190 CB ILE A 12 -1.856 -4.547 5.323 1.00 13.44 C ATOM 191 CG1 ILE A 12 -2.855 -4.418 4.161 1.00 35.40 C ATOM 192 CG2 ILE A 12 -0.845 -3.398 5.296 1.00 74.15 C ATOM 193 CD1 ILE A 12 -3.701 -3.164 4.208 1.00 44.32 C ATOM 0 H ILE A 12 -3.075 -6.720 5.443 1.00 73.25 H new ATOM 0 HA ILE A 12 -0.634 -6.028 4.298 1.00 2.44 H new ATOM 0 HB ILE A 12 -2.404 -4.489 6.263 1.00 13.44 H new ATOM 0 HG12 ILE A 12 -2.305 -4.437 3.220 1.00 35.40 H new ATOM 0 HG13 ILE A 12 -3.513 -5.287 4.164 1.00 35.40 H new ATOM 0 HG21 ILE A 12 -1.374 -2.446 5.342 1.00 74.15 H new ATOM 0 HG22 ILE A 12 -0.175 -3.482 6.152 1.00 74.15 H new ATOM 0 HG23 ILE A 12 -0.264 -3.446 4.375 1.00 74.15 H new ATOM 0 HD11 ILE A 12 -4.378 -3.150 3.354 1.00 44.32 H new ATOM 0 HD12 ILE A 12 -4.280 -3.150 5.131 1.00 44.32 H new ATOM 0 HD13 ILE A 12 -3.054 -2.287 4.173 1.00 44.32 H new ATOM 205 N HIS A 13 -0.439 -6.390 7.570 1.00 42.44 N ATOM 206 CA HIS A 13 0.522 -6.504 8.683 1.00 14.45 C ATOM 207 C HIS A 13 1.684 -7.470 8.361 1.00 43.31 C ATOM 208 O HIS A 13 2.755 -7.392 8.966 1.00 3.41 O ATOM 209 CB HIS A 13 -0.190 -6.954 9.968 1.00 45.33 C ATOM 210 CG HIS A 13 -0.983 -5.870 10.642 1.00 30.14 C ATOM 211 ND1 HIS A 13 -0.359 -4.818 11.268 1.00 44.42 N ATOM 212 CD2 HIS A 13 -2.326 -5.723 10.774 1.00 74.14 C ATOM 213 CE1 HIS A 13 -1.323 -4.063 11.763 1.00 30.01 C ATOM 214 NE2 HIS A 13 -2.531 -4.569 11.491 1.00 62.14 N ATOM 0 H HIS A 13 -1.397 -6.643 7.811 1.00 42.44 H new ATOM 0 HA HIS A 13 0.950 -5.513 8.832 1.00 14.45 H new ATOM 0 HB2 HIS A 13 -0.857 -7.783 9.730 1.00 45.33 H new ATOM 0 HB3 HIS A 13 0.554 -7.334 10.668 1.00 45.33 H new ATOM 0 HD2 HIS A 13 -3.087 -6.386 10.389 1.00 74.14 H new ATOM 0 HE1 HIS A 13 -1.157 -3.151 12.318 1.00 30.01 H new ATOM 0 HE2 HIS A 13 -3.431 -4.174 11.763 1.00 62.14 H new ATOM 222 N GLN A 14 1.473 -8.368 7.400 1.00 55.34 N ATOM 223 CA GLN A 14 2.486 -9.372 7.029 1.00 51.32 C ATOM 224 C GLN A 14 3.530 -8.819 6.044 1.00 34.01 C ATOM 225 O GLN A 14 4.510 -9.497 5.720 1.00 20.14 O ATOM 226 CB GLN A 14 1.793 -10.606 6.431 1.00 54.21 C ATOM 227 CG GLN A 14 1.220 -11.581 7.466 1.00 44.22 C ATOM 228 CD GLN A 14 0.802 -10.920 8.774 1.00 11.32 C ATOM 229 OE1 GLN A 14 1.574 -10.848 9.727 1.00 64.35 O ATOM 230 NE2 GLN A 14 -0.415 -10.426 8.829 1.00 40.43 N ATOM 0 H GLN A 14 0.610 -8.426 6.859 1.00 55.34 H new ATOM 0 HA GLN A 14 3.022 -9.649 7.937 1.00 51.32 H new ATOM 0 HB2 GLN A 14 0.985 -10.273 5.779 1.00 54.21 H new ATOM 0 HB3 GLN A 14 2.508 -11.140 5.805 1.00 54.21 H new ATOM 0 HG2 GLN A 14 0.357 -12.087 7.034 1.00 44.22 H new ATOM 0 HG3 GLN A 14 1.965 -12.347 7.680 1.00 44.22 H new ATOM 0 HE21 GLN A 14 -1.033 -10.501 8.021 1.00 40.43 H new ATOM 0 HE22 GLN A 14 -0.741 -9.967 9.680 1.00 40.43 H new ATOM 239 N ILE A 15 3.320 -7.592 5.566 1.00 0.14 N ATOM 240 CA ILE A 15 4.278 -6.940 4.661 1.00 15.24 C ATOM 241 C ILE A 15 5.483 -6.386 5.451 1.00 1.05 C ATOM 242 O ILE A 15 5.309 -5.590 6.375 1.00 61.10 O ATOM 243 CB ILE A 15 3.608 -5.788 3.862 1.00 64.20 C ATOM 244 CG1 ILE A 15 2.316 -6.281 3.186 1.00 51.15 C ATOM 245 CG2 ILE A 15 4.575 -5.224 2.819 1.00 52.43 C ATOM 246 CD1 ILE A 15 1.542 -5.192 2.472 1.00 54.13 C ATOM 0 H ILE A 15 2.499 -7.028 5.787 1.00 0.14 H new ATOM 0 HA ILE A 15 4.625 -7.695 3.956 1.00 15.24 H new ATOM 0 HB ILE A 15 3.351 -4.991 4.560 1.00 64.20 H new ATOM 0 HG12 ILE A 15 2.568 -7.063 2.470 1.00 51.15 H new ATOM 0 HG13 ILE A 15 1.673 -6.735 3.940 1.00 51.15 H new ATOM 0 HG21 ILE A 15 4.088 -4.418 2.269 1.00 52.43 H new ATOM 0 HG22 ILE A 15 5.464 -4.837 3.318 1.00 52.43 H new ATOM 0 HG23 ILE A 15 4.863 -6.014 2.125 1.00 52.43 H new ATOM 0 HD11 ILE A 15 0.646 -5.618 2.022 1.00 54.13 H new ATOM 0 HD12 ILE A 15 1.257 -4.420 3.187 1.00 54.13 H new ATOM 0 HD13 ILE A 15 2.166 -4.753 1.693 1.00 54.13 H new ATOM 258 N PRO A 16 6.720 -6.808 5.107 1.00 12.14 N ATOM 259 CA PRO A 16 7.934 -6.414 5.848 1.00 35.00 C ATOM 260 C PRO A 16 8.462 -5.008 5.494 1.00 64.10 C ATOM 261 O PRO A 16 7.921 -4.317 4.627 1.00 32.32 O ATOM 262 CB PRO A 16 8.940 -7.488 5.426 1.00 65.34 C ATOM 263 CG PRO A 16 8.541 -7.845 4.035 1.00 0.55 C ATOM 264 CD PRO A 16 7.038 -7.708 3.979 1.00 10.22 C ATOM 0 HA PRO A 16 7.746 -6.353 6.920 1.00 35.00 H new ATOM 0 HB2 PRO A 16 9.962 -7.111 5.462 1.00 65.34 H new ATOM 0 HB3 PRO A 16 8.897 -8.354 6.086 1.00 65.34 H new ATOM 0 HG2 PRO A 16 9.019 -7.185 3.311 1.00 0.55 H new ATOM 0 HG3 PRO A 16 8.849 -8.862 3.791 1.00 0.55 H new ATOM 0 HD2 PRO A 16 6.710 -7.288 3.028 1.00 10.22 H new ATOM 0 HD3 PRO A 16 6.545 -8.674 4.087 1.00 10.22 H new ATOM 272 N LYS A 17 9.544 -4.612 6.166 1.00 24.50 N ATOM 273 CA LYS A 17 10.156 -3.292 5.979 1.00 60.11 C ATOM 274 C LYS A 17 10.776 -3.151 4.577 1.00 44.43 C ATOM 275 O LYS A 17 11.631 -3.948 4.186 1.00 55.13 O ATOM 276 CB LYS A 17 11.245 -3.079 7.041 1.00 3.50 C ATOM 277 CG LYS A 17 11.784 -1.653 7.121 1.00 61.10 C ATOM 278 CD LYS A 17 10.810 -0.729 7.839 1.00 52.52 C ATOM 279 CE LYS A 17 11.368 0.681 7.987 1.00 44.54 C ATOM 280 NZ LYS A 17 10.376 1.610 8.588 1.00 61.20 N ATOM 0 H LYS A 17 10.021 -5.194 6.854 1.00 24.50 H new ATOM 0 HA LYS A 17 9.375 -2.539 6.082 1.00 60.11 H new ATOM 0 HB2 LYS A 17 10.843 -3.357 8.015 1.00 3.50 H new ATOM 0 HB3 LYS A 17 12.074 -3.756 6.833 1.00 3.50 H new ATOM 0 HG2 LYS A 17 12.740 -1.653 7.644 1.00 61.10 H new ATOM 0 HG3 LYS A 17 11.971 -1.276 6.115 1.00 61.10 H new ATOM 0 HD2 LYS A 17 9.871 -0.692 7.287 1.00 52.52 H new ATOM 0 HD3 LYS A 17 10.584 -1.135 8.825 1.00 52.52 H new ATOM 0 HE2 LYS A 17 12.263 0.654 8.609 1.00 44.54 H new ATOM 0 HE3 LYS A 17 11.671 1.056 7.009 1.00 44.54 H new ATOM 0 HZ1 LYS A 17 10.703 2.590 8.472 1.00 61.20 H new ATOM 0 HZ2 LYS A 17 9.458 1.493 8.113 1.00 61.20 H new ATOM 0 HZ3 LYS A 17 10.271 1.398 9.601 1.00 61.20 H new ATOM 294 N GLY A 18 10.339 -2.143 3.824 1.00 71.33 N ATOM 295 CA GLY A 18 10.936 -1.856 2.520 1.00 22.12 C ATOM 296 C GLY A 18 10.259 -2.563 1.346 1.00 71.43 C ATOM 297 O GLY A 18 10.717 -2.449 0.208 1.00 11.31 O ATOM 0 H GLY A 18 9.580 -1.516 4.091 1.00 71.33 H new ATOM 0 HA2 GLY A 18 10.904 -0.780 2.348 1.00 22.12 H new ATOM 0 HA3 GLY A 18 11.987 -2.143 2.544 1.00 22.12 H new ATOM 301 N LYS A 19 9.174 -3.295 1.608 1.00 30.24 N ATOM 302 CA LYS A 19 8.442 -4.001 0.543 1.00 73.24 C ATOM 303 C LYS A 19 6.998 -3.487 0.410 1.00 4.12 C ATOM 304 O LYS A 19 6.374 -3.086 1.393 1.00 73.32 O ATOM 305 CB LYS A 19 8.454 -5.518 0.806 1.00 65.23 C ATOM 306 CG LYS A 19 9.858 -6.129 0.821 1.00 20.02 C ATOM 307 CD LYS A 19 10.574 -5.930 -0.515 1.00 0.10 C ATOM 308 CE LYS A 19 12.028 -6.398 -0.470 1.00 50.02 C ATOM 309 NZ LYS A 19 12.156 -7.861 -0.221 1.00 51.32 N ATOM 0 H LYS A 19 8.781 -3.417 2.541 1.00 30.24 H new ATOM 0 HA LYS A 19 8.949 -3.800 -0.401 1.00 73.24 H new ATOM 0 HB2 LYS A 19 7.971 -5.716 1.763 1.00 65.23 H new ATOM 0 HB3 LYS A 19 7.859 -6.015 0.040 1.00 65.23 H new ATOM 0 HG2 LYS A 19 10.444 -5.675 1.620 1.00 20.02 H new ATOM 0 HG3 LYS A 19 9.789 -7.194 1.042 1.00 20.02 H new ATOM 0 HD2 LYS A 19 10.043 -6.477 -1.294 1.00 0.10 H new ATOM 0 HD3 LYS A 19 10.543 -4.875 -0.788 1.00 0.10 H new ATOM 0 HE2 LYS A 19 12.514 -6.151 -1.414 1.00 50.02 H new ATOM 0 HE3 LYS A 19 12.556 -5.853 0.313 1.00 50.02 H new ATOM 0 HZ1 LYS A 19 13.162 -8.123 -0.201 1.00 51.32 H new ATOM 0 HZ2 LYS A 19 11.718 -8.097 0.692 1.00 51.32 H new ATOM 0 HZ3 LYS A 19 11.677 -8.386 -0.981 1.00 51.32 H new ATOM 323 N VAL A 20 6.478 -3.491 -0.820 1.00 60.00 N ATOM 324 CA VAL A 20 5.113 -3.019 -1.097 1.00 11.13 C ATOM 325 C VAL A 20 4.311 -4.044 -1.910 1.00 71.35 C ATOM 326 O VAL A 20 4.876 -4.896 -2.596 1.00 11.34 O ATOM 327 CB VAL A 20 5.116 -1.668 -1.862 1.00 15.24 C ATOM 328 CG1 VAL A 20 5.763 -0.569 -1.020 1.00 73.44 C ATOM 329 CG2 VAL A 20 5.817 -1.803 -3.219 1.00 44.54 C ATOM 0 H VAL A 20 6.982 -3.817 -1.645 1.00 60.00 H new ATOM 0 HA VAL A 20 4.638 -2.881 -0.126 1.00 11.13 H new ATOM 0 HB VAL A 20 4.080 -1.386 -2.049 1.00 15.24 H new ATOM 0 HG11 VAL A 20 5.754 0.368 -1.576 1.00 73.44 H new ATOM 0 HG12 VAL A 20 5.205 -0.446 -0.092 1.00 73.44 H new ATOM 0 HG13 VAL A 20 6.792 -0.845 -0.791 1.00 73.44 H new ATOM 0 HG21 VAL A 20 5.804 -0.842 -3.732 1.00 44.54 H new ATOM 0 HG22 VAL A 20 6.849 -2.119 -3.066 1.00 44.54 H new ATOM 0 HG23 VAL A 20 5.297 -2.545 -3.825 1.00 44.54 H new ATOM 339 N SER A 21 2.988 -3.954 -1.827 1.00 33.53 N ATOM 340 CA SER A 21 2.093 -4.836 -2.586 1.00 63.31 C ATOM 341 C SER A 21 0.992 -4.027 -3.280 1.00 74.23 C ATOM 342 O SER A 21 0.839 -2.830 -3.036 1.00 53.32 O ATOM 343 CB SER A 21 1.458 -5.878 -1.658 1.00 74.11 C ATOM 344 OG SER A 21 0.661 -5.254 -0.666 1.00 40.43 O ATOM 0 H SER A 21 2.504 -3.276 -1.239 1.00 33.53 H new ATOM 0 HA SER A 21 2.686 -5.345 -3.345 1.00 63.31 H new ATOM 0 HB2 SER A 21 0.846 -6.566 -2.242 1.00 74.11 H new ATOM 0 HB3 SER A 21 2.239 -6.471 -1.182 1.00 74.11 H new ATOM 0 HG SER A 21 -0.209 -5.014 -1.048 1.00 40.43 H new ATOM 350 N THR A 22 0.227 -4.683 -4.144 1.00 41.31 N ATOM 351 CA THR A 22 -0.865 -4.018 -4.868 1.00 51.15 C ATOM 352 C THR A 22 -2.238 -4.374 -4.277 1.00 12.13 C ATOM 353 O THR A 22 -2.420 -5.454 -3.705 1.00 22.35 O ATOM 354 CB THR A 22 -0.858 -4.391 -6.370 1.00 3.54 C ATOM 355 OG1 THR A 22 -1.085 -5.800 -6.535 1.00 73.02 O ATOM 356 CG2 THR A 22 0.468 -4.007 -7.024 1.00 74.14 C ATOM 0 H THR A 22 0.337 -5.673 -4.364 1.00 41.31 H new ATOM 0 HA THR A 22 -0.696 -2.947 -4.760 1.00 51.15 H new ATOM 0 HB THR A 22 -1.660 -3.836 -6.856 1.00 3.54 H new ATOM 0 HG1 THR A 22 -0.351 -6.300 -6.121 1.00 73.02 H new ATOM 0 HG21 THR A 22 0.446 -4.280 -8.079 1.00 74.14 H new ATOM 0 HG22 THR A 22 0.622 -2.932 -6.931 1.00 74.14 H new ATOM 0 HG23 THR A 22 1.284 -4.535 -6.530 1.00 74.14 H new ATOM 364 N TYR A 23 -3.205 -3.460 -4.422 1.00 62.24 N ATOM 365 CA TYR A 23 -4.575 -3.672 -3.914 1.00 31.40 C ATOM 366 C TYR A 23 -5.153 -5.033 -4.335 1.00 24.13 C ATOM 367 O TYR A 23 -5.800 -5.715 -3.540 1.00 1.14 O ATOM 368 CB TYR A 23 -5.511 -2.556 -4.397 1.00 14.35 C ATOM 369 CG TYR A 23 -5.151 -1.177 -3.877 1.00 72.33 C ATOM 370 CD1 TYR A 23 -5.351 -0.845 -2.541 1.00 72.22 C ATOM 371 CD2 TYR A 23 -4.615 -0.209 -4.718 1.00 41.31 C ATOM 372 CE1 TYR A 23 -5.026 0.409 -2.060 1.00 2.11 C ATOM 373 CE2 TYR A 23 -4.289 1.044 -4.243 1.00 71.02 C ATOM 374 CZ TYR A 23 -4.497 1.348 -2.914 1.00 24.50 C ATOM 375 OH TYR A 23 -4.171 2.598 -2.439 1.00 51.41 O ATOM 0 H TYR A 23 -3.068 -2.563 -4.888 1.00 62.24 H new ATOM 0 HA TYR A 23 -4.507 -3.655 -2.826 1.00 31.40 H new ATOM 0 HB2 TYR A 23 -5.502 -2.535 -5.487 1.00 14.35 H new ATOM 0 HB3 TYR A 23 -6.530 -2.793 -4.091 1.00 14.35 H new ATOM 0 HD1 TYR A 23 -5.767 -1.580 -1.868 1.00 72.22 H new ATOM 0 HD2 TYR A 23 -4.451 -0.442 -5.760 1.00 41.31 H new ATOM 0 HE1 TYR A 23 -5.187 0.650 -1.020 1.00 2.11 H new ATOM 0 HE2 TYR A 23 -3.872 1.785 -4.909 1.00 71.02 H new ATOM 0 HH TYR A 23 -3.206 2.644 -2.275 1.00 51.41 H new ATOM 385 N GLY A 24 -4.913 -5.421 -5.587 1.00 12.35 N ATOM 386 CA GLY A 24 -5.431 -6.685 -6.100 1.00 4.22 C ATOM 387 C GLY A 24 -4.958 -7.898 -5.303 1.00 14.33 C ATOM 388 O GLY A 24 -5.734 -8.822 -5.045 1.00 72.34 O ATOM 0 H GLY A 24 -4.367 -4.882 -6.259 1.00 12.35 H new ATOM 0 HA2 GLY A 24 -6.521 -6.654 -6.090 1.00 4.22 H new ATOM 0 HA3 GLY A 24 -5.125 -6.800 -7.140 1.00 4.22 H new ATOM 392 N GLU A 25 -3.684 -7.896 -4.914 1.00 52.42 N ATOM 393 CA GLU A 25 -3.108 -8.989 -4.122 1.00 23.35 C ATOM 394 C GLU A 25 -3.727 -9.039 -2.718 1.00 12.35 C ATOM 395 O GLU A 25 -4.265 -10.070 -2.304 1.00 52.14 O ATOM 396 CB GLU A 25 -1.585 -8.818 -4.022 1.00 42.42 C ATOM 397 CG GLU A 25 -0.880 -8.852 -5.373 1.00 13.00 C ATOM 398 CD GLU A 25 0.608 -8.559 -5.268 1.00 41.34 C ATOM 399 OE1 GLU A 25 0.974 -7.370 -5.152 1.00 1.33 O ATOM 400 OE2 GLU A 25 1.416 -9.513 -5.306 1.00 73.14 O ATOM 0 H GLU A 25 -3.026 -7.148 -5.134 1.00 52.42 H new ATOM 0 HA GLU A 25 -3.332 -9.930 -4.625 1.00 23.35 H new ATOM 0 HB2 GLU A 25 -1.365 -7.871 -3.530 1.00 42.42 H new ATOM 0 HB3 GLU A 25 -1.179 -9.607 -3.389 1.00 42.42 H new ATOM 0 HG2 GLU A 25 -1.021 -9.833 -5.827 1.00 13.00 H new ATOM 0 HG3 GLU A 25 -1.343 -8.123 -6.038 1.00 13.00 H new ATOM 407 N ILE A 26 -3.662 -7.917 -2.001 1.00 32.42 N ATOM 408 CA ILE A 26 -4.231 -7.818 -0.650 1.00 11.43 C ATOM 409 C ILE A 26 -5.714 -8.233 -0.634 1.00 35.42 C ATOM 410 O ILE A 26 -6.139 -9.059 0.181 1.00 43.24 O ATOM 411 CB ILE A 26 -4.103 -6.373 -0.094 1.00 4.34 C ATOM 412 CG1 ILE A 26 -2.631 -5.925 -0.070 1.00 53.41 C ATOM 413 CG2 ILE A 26 -4.719 -6.265 1.303 1.00 51.24 C ATOM 414 CD1 ILE A 26 -1.737 -6.774 0.812 1.00 21.11 C ATOM 0 H ILE A 26 -3.220 -7.059 -2.332 1.00 32.42 H new ATOM 0 HA ILE A 26 -3.664 -8.500 -0.016 1.00 11.43 H new ATOM 0 HB ILE A 26 -4.654 -5.709 -0.760 1.00 4.34 H new ATOM 0 HG12 ILE A 26 -2.241 -5.943 -1.088 1.00 53.41 H new ATOM 0 HG13 ILE A 26 -2.583 -4.891 0.272 1.00 53.41 H new ATOM 0 HG21 ILE A 26 -4.616 -5.243 1.668 1.00 51.24 H new ATOM 0 HG22 ILE A 26 -5.776 -6.528 1.256 1.00 51.24 H new ATOM 0 HG23 ILE A 26 -4.205 -6.946 1.981 1.00 51.24 H new ATOM 0 HD11 ILE A 26 -0.717 -6.391 0.772 1.00 21.11 H new ATOM 0 HD12 ILE A 26 -2.099 -6.737 1.840 1.00 21.11 H new ATOM 0 HD13 ILE A 26 -1.751 -7.805 0.459 1.00 21.11 H new ATOM 426 N ALA A 27 -6.492 -7.660 -1.551 1.00 2.03 N ATOM 427 CA ALA A 27 -7.918 -7.970 -1.671 1.00 0.02 C ATOM 428 C ALA A 27 -8.154 -9.461 -1.962 1.00 55.13 C ATOM 429 O ALA A 27 -9.029 -10.094 -1.363 1.00 25.12 O ATOM 430 CB ALA A 27 -8.541 -7.104 -2.762 1.00 34.34 C ATOM 0 H ALA A 27 -6.157 -6.974 -2.227 1.00 2.03 H new ATOM 0 HA ALA A 27 -8.396 -7.749 -0.717 1.00 0.02 H new ATOM 0 HB1 ALA A 27 -9.602 -7.337 -2.849 1.00 34.34 H new ATOM 0 HB2 ALA A 27 -8.420 -6.052 -2.505 1.00 34.34 H new ATOM 0 HB3 ALA A 27 -8.046 -7.304 -3.712 1.00 34.34 H new ATOM 436 N LYS A 28 -7.361 -10.026 -2.874 1.00 60.20 N ATOM 437 CA LYS A 28 -7.478 -11.446 -3.228 1.00 75.31 C ATOM 438 C LYS A 28 -7.185 -12.347 -2.016 1.00 72.24 C ATOM 439 O LYS A 28 -7.919 -13.300 -1.746 1.00 72.22 O ATOM 440 CB LYS A 28 -6.522 -11.796 -4.377 1.00 25.31 C ATOM 441 CG LYS A 28 -6.688 -13.222 -4.901 1.00 24.21 C ATOM 442 CD LYS A 28 -5.625 -13.579 -5.936 1.00 75.14 C ATOM 443 CE LYS A 28 -5.864 -14.957 -6.551 1.00 42.33 C ATOM 444 NZ LYS A 28 -7.156 -15.028 -7.289 1.00 63.42 N ATOM 0 H LYS A 28 -6.631 -9.525 -3.381 1.00 60.20 H new ATOM 0 HA LYS A 28 -8.504 -11.622 -3.550 1.00 75.31 H new ATOM 0 HB2 LYS A 28 -6.682 -11.096 -5.197 1.00 25.31 H new ATOM 0 HB3 LYS A 28 -5.495 -11.660 -4.038 1.00 25.31 H new ATOM 0 HG2 LYS A 28 -6.633 -13.923 -4.068 1.00 24.21 H new ATOM 0 HG3 LYS A 28 -7.677 -13.332 -5.345 1.00 24.21 H new ATOM 0 HD2 LYS A 28 -5.620 -12.826 -6.724 1.00 75.14 H new ATOM 0 HD3 LYS A 28 -4.641 -13.557 -5.467 1.00 75.14 H new ATOM 0 HE2 LYS A 28 -5.046 -15.196 -7.230 1.00 42.33 H new ATOM 0 HE3 LYS A 28 -5.855 -15.711 -5.764 1.00 42.33 H new ATOM 0 HZ1 LYS A 28 -7.164 -15.874 -7.893 1.00 63.42 H new ATOM 0 HZ2 LYS A 28 -7.942 -15.080 -6.609 1.00 63.42 H new ATOM 0 HZ3 LYS A 28 -7.265 -14.179 -7.880 1.00 63.42 H new ATOM 458 N MET A 29 -6.112 -12.032 -1.288 1.00 74.12 N ATOM 459 CA MET A 29 -5.740 -12.786 -0.084 1.00 71.23 C ATOM 460 C MET A 29 -6.825 -12.673 0.999 1.00 23.20 C ATOM 461 O MET A 29 -7.091 -13.631 1.728 1.00 4.15 O ATOM 462 CB MET A 29 -4.402 -12.283 0.473 1.00 13.03 C ATOM 463 CG MET A 29 -3.232 -12.432 -0.492 1.00 3.22 C ATOM 464 SD MET A 29 -1.674 -11.868 0.217 1.00 21.23 S ATOM 465 CE MET A 29 -0.563 -12.091 -1.168 1.00 73.11 C ATOM 0 H MET A 29 -5.483 -11.260 -1.509 1.00 74.12 H new ATOM 0 HA MET A 29 -5.640 -13.834 -0.368 1.00 71.23 H new ATOM 0 HB2 MET A 29 -4.505 -11.232 0.743 1.00 13.03 H new ATOM 0 HB3 MET A 29 -4.175 -12.827 1.390 1.00 13.03 H new ATOM 0 HG2 MET A 29 -3.137 -13.478 -0.783 1.00 3.22 H new ATOM 0 HG3 MET A 29 -3.440 -11.866 -1.400 1.00 3.22 H new ATOM 0 HE1 MET A 29 0.443 -11.783 -0.881 1.00 73.11 H new ATOM 0 HE2 MET A 29 -0.552 -13.141 -1.460 1.00 73.11 H new ATOM 0 HE3 MET A 29 -0.902 -11.484 -2.008 1.00 73.11 H new ATOM 475 N ALA A 30 -7.436 -11.495 1.105 1.00 62.11 N ATOM 476 CA ALA A 30 -8.539 -11.272 2.048 1.00 5.31 C ATOM 477 C ALA A 30 -9.807 -12.036 1.630 1.00 1.12 C ATOM 478 O ALA A 30 -10.616 -12.433 2.474 1.00 61.42 O ATOM 479 CB ALA A 30 -8.839 -9.781 2.159 1.00 23.42 C ATOM 0 H ALA A 30 -7.188 -10.676 0.550 1.00 62.11 H new ATOM 0 HA ALA A 30 -8.227 -11.653 3.021 1.00 5.31 H new ATOM 0 HB1 ALA A 30 -9.659 -9.626 2.861 1.00 23.42 H new ATOM 0 HB2 ALA A 30 -7.952 -9.257 2.515 1.00 23.42 H new ATOM 0 HB3 ALA A 30 -9.121 -9.393 1.180 1.00 23.42 H new ATOM 485 N GLY A 31 -9.968 -12.242 0.323 1.00 72.24 N ATOM 486 CA GLY A 31 -11.141 -12.943 -0.201 1.00 44.33 C ATOM 487 C GLY A 31 -12.121 -12.014 -0.910 1.00 75.24 C ATOM 488 O GLY A 31 -13.236 -12.413 -1.251 1.00 63.23 O ATOM 0 H GLY A 31 -9.305 -11.936 -0.389 1.00 72.24 H new ATOM 0 HA2 GLY A 31 -10.815 -13.717 -0.896 1.00 44.33 H new ATOM 0 HA3 GLY A 31 -11.654 -13.446 0.619 1.00 44.33 H new ATOM 492 N TYR A 32 -11.700 -10.772 -1.140 1.00 11.33 N ATOM 493 CA TYR A 32 -12.537 -9.767 -1.811 1.00 2.11 C ATOM 494 C TYR A 32 -11.793 -9.130 -3.007 1.00 31.41 C ATOM 495 O TYR A 32 -11.541 -7.925 -3.013 1.00 61.31 O ATOM 496 CB TYR A 32 -12.928 -8.663 -0.816 1.00 32.10 C ATOM 497 CG TYR A 32 -13.489 -9.160 0.507 1.00 35.13 C ATOM 498 CD1 TYR A 32 -12.639 -9.535 1.543 1.00 24.33 C ATOM 499 CD2 TYR A 32 -14.861 -9.237 0.727 1.00 35.14 C ATOM 500 CE1 TYR A 32 -13.138 -9.974 2.753 1.00 0.11 C ATOM 501 CE2 TYR A 32 -15.365 -9.670 1.939 1.00 43.45 C ATOM 502 CZ TYR A 32 -14.500 -10.038 2.947 1.00 70.30 C ATOM 503 OH TYR A 32 -14.996 -10.459 4.156 1.00 2.33 O ATOM 0 H TYR A 32 -10.777 -10.431 -0.871 1.00 11.33 H new ATOM 0 HA TYR A 32 -13.431 -10.269 -2.182 1.00 2.11 H new ATOM 0 HB2 TYR A 32 -12.050 -8.049 -0.614 1.00 32.10 H new ATOM 0 HB3 TYR A 32 -13.668 -8.016 -1.287 1.00 32.10 H new ATOM 0 HD1 TYR A 32 -11.570 -9.482 1.398 1.00 24.33 H new ATOM 0 HD2 TYR A 32 -15.543 -8.954 -0.062 1.00 35.14 H new ATOM 0 HE1 TYR A 32 -12.463 -10.266 3.544 1.00 0.11 H new ATOM 0 HE2 TYR A 32 -16.432 -9.720 2.096 1.00 43.45 H new ATOM 0 HH TYR A 32 -15.976 -10.446 4.130 1.00 2.33 H new ATOM 513 N PRO A 33 -11.449 -9.922 -4.048 1.00 24.44 N ATOM 514 CA PRO A 33 -10.590 -9.456 -5.163 1.00 14.31 C ATOM 515 C PRO A 33 -11.098 -8.179 -5.860 1.00 34.53 C ATOM 516 O PRO A 33 -10.305 -7.334 -6.281 1.00 62.12 O ATOM 517 CB PRO A 33 -10.603 -10.646 -6.136 1.00 41.41 C ATOM 518 CG PRO A 33 -10.918 -11.825 -5.282 1.00 63.33 C ATOM 519 CD PRO A 33 -11.874 -11.322 -4.236 1.00 0.30 C ATOM 0 HA PRO A 33 -9.600 -9.176 -4.803 1.00 14.31 H new ATOM 0 HB2 PRO A 33 -11.351 -10.511 -6.917 1.00 41.41 H new ATOM 0 HB3 PRO A 33 -9.640 -10.762 -6.633 1.00 41.41 H new ATOM 0 HG2 PRO A 33 -11.366 -12.626 -5.870 1.00 63.33 H new ATOM 0 HG3 PRO A 33 -10.015 -12.231 -4.825 1.00 63.33 H new ATOM 0 HD2 PRO A 33 -12.910 -11.389 -4.570 1.00 0.30 H new ATOM 0 HD3 PRO A 33 -11.799 -11.895 -3.312 1.00 0.30 H new ATOM 527 N GLY A 34 -12.416 -8.040 -5.977 1.00 20.23 N ATOM 528 CA GLY A 34 -12.995 -6.883 -6.658 1.00 2.51 C ATOM 529 C GLY A 34 -13.100 -5.642 -5.773 1.00 72.44 C ATOM 530 O GLY A 34 -13.424 -4.554 -6.255 1.00 10.33 O ATOM 0 H GLY A 34 -13.098 -8.706 -5.614 1.00 20.23 H new ATOM 0 HA2 GLY A 34 -12.389 -6.645 -7.532 1.00 2.51 H new ATOM 0 HA3 GLY A 34 -13.989 -7.145 -7.021 1.00 2.51 H new ATOM 534 N TYR A 35 -12.820 -5.794 -4.483 1.00 32.21 N ATOM 535 CA TYR A 35 -12.909 -4.679 -3.530 1.00 62.31 C ATOM 536 C TYR A 35 -11.612 -3.845 -3.473 1.00 42.34 C ATOM 537 O TYR A 35 -11.424 -3.058 -2.544 1.00 14.32 O ATOM 538 CB TYR A 35 -13.242 -5.208 -2.127 1.00 41.12 C ATOM 539 CG TYR A 35 -14.705 -5.567 -1.915 1.00 32.11 C ATOM 540 CD1 TYR A 35 -15.287 -6.655 -2.556 1.00 55.13 C ATOM 541 CD2 TYR A 35 -15.499 -4.815 -1.052 1.00 72.34 C ATOM 542 CE1 TYR A 35 -16.614 -6.984 -2.341 1.00 43.05 C ATOM 543 CE2 TYR A 35 -16.824 -5.136 -0.836 1.00 44.23 C ATOM 544 CZ TYR A 35 -17.378 -6.220 -1.482 1.00 23.32 C ATOM 545 OH TYR A 35 -18.699 -6.548 -1.260 1.00 13.14 O ATOM 0 H TYR A 35 -12.528 -6.678 -4.067 1.00 32.21 H new ATOM 0 HA TYR A 35 -13.706 -4.024 -3.882 1.00 62.31 H new ATOM 0 HB2 TYR A 35 -12.633 -6.091 -1.932 1.00 41.12 H new ATOM 0 HB3 TYR A 35 -12.956 -4.455 -1.392 1.00 41.12 H new ATOM 0 HD1 TYR A 35 -14.694 -7.253 -3.232 1.00 55.13 H new ATOM 0 HD2 TYR A 35 -15.070 -3.965 -0.542 1.00 72.34 H new ATOM 0 HE1 TYR A 35 -17.050 -7.835 -2.843 1.00 43.05 H new ATOM 0 HE2 TYR A 35 -17.424 -4.540 -0.164 1.00 44.23 H new ATOM 0 HH TYR A 35 -19.093 -5.910 -0.629 1.00 13.14 H new ATOM 555 N ALA A 36 -10.739 -3.998 -4.472 1.00 60.33 N ATOM 556 CA ALA A 36 -9.477 -3.237 -4.533 1.00 70.23 C ATOM 557 C ALA A 36 -9.717 -1.724 -4.358 1.00 74.52 C ATOM 558 O ALA A 36 -8.992 -1.041 -3.627 1.00 4.13 O ATOM 559 CB ALA A 36 -8.762 -3.519 -5.851 1.00 15.04 C ATOM 0 H ALA A 36 -10.878 -4.640 -5.252 1.00 60.33 H new ATOM 0 HA ALA A 36 -8.845 -3.564 -3.707 1.00 70.23 H new ATOM 0 HB1 ALA A 36 -7.831 -2.953 -5.888 1.00 15.04 H new ATOM 0 HB2 ALA A 36 -8.543 -4.584 -5.925 1.00 15.04 H new ATOM 0 HB3 ALA A 36 -9.401 -3.221 -6.682 1.00 15.04 H new ATOM 565 N ARG A 37 -10.749 -1.219 -5.033 1.00 50.31 N ATOM 566 CA ARG A 37 -11.175 0.181 -4.897 1.00 64.44 C ATOM 567 C ARG A 37 -11.520 0.537 -3.436 1.00 13.45 C ATOM 568 O ARG A 37 -11.181 1.619 -2.949 1.00 1.10 O ATOM 569 CB ARG A 37 -12.390 0.440 -5.805 1.00 42.43 C ATOM 570 CG ARG A 37 -13.494 -0.606 -5.666 1.00 22.20 C ATOM 571 CD ARG A 37 -14.701 -0.296 -6.548 1.00 72.33 C ATOM 572 NE ARG A 37 -15.623 -1.429 -6.618 1.00 53.44 N ATOM 573 CZ ARG A 37 -16.920 -1.323 -6.735 1.00 23.00 C ATOM 574 NH1 ARG A 37 -17.488 -0.161 -6.767 1.00 63.11 N ATOM 575 NH2 ARG A 37 -17.647 -2.392 -6.818 1.00 31.25 N ATOM 0 H ARG A 37 -11.313 -1.762 -5.687 1.00 50.31 H new ATOM 0 HA ARG A 37 -10.344 0.817 -5.201 1.00 64.44 H new ATOM 0 HB2 ARG A 37 -12.802 1.423 -5.575 1.00 42.43 H new ATOM 0 HB3 ARG A 37 -12.057 0.469 -6.843 1.00 42.43 H new ATOM 0 HG2 ARG A 37 -13.097 -1.587 -5.929 1.00 22.20 H new ATOM 0 HG3 ARG A 37 -13.812 -0.659 -4.625 1.00 22.20 H new ATOM 0 HD2 ARG A 37 -15.224 0.576 -6.156 1.00 72.33 H new ATOM 0 HD3 ARG A 37 -14.362 -0.039 -7.552 1.00 72.33 H new ATOM 0 HE ARG A 37 -15.226 -2.367 -6.572 1.00 53.44 H new ATOM 0 HH11 ARG A 37 -16.922 0.685 -6.701 1.00 63.11 H new ATOM 0 HH12 ARG A 37 -18.501 -0.091 -6.859 1.00 63.11 H new ATOM 0 HH21 ARG A 37 -17.207 -3.312 -6.792 1.00 31.25 H new ATOM 0 HH22 ARG A 37 -18.660 -2.314 -6.909 1.00 31.25 H new ATOM 589 N HIS A 38 -12.182 -0.385 -2.736 1.00 14.34 N ATOM 590 CA HIS A 38 -12.595 -0.157 -1.344 1.00 3.41 C ATOM 591 C HIS A 38 -11.409 -0.265 -0.376 1.00 52.02 C ATOM 592 O HIS A 38 -11.404 0.368 0.681 1.00 61.33 O ATOM 593 CB HIS A 38 -13.709 -1.130 -0.942 1.00 31.34 C ATOM 594 CG HIS A 38 -14.984 -0.907 -1.700 1.00 42.11 C ATOM 595 ND1 HIS A 38 -15.797 0.166 -1.428 1.00 53.02 N ATOM 596 CD2 HIS A 38 -15.532 -1.634 -2.702 1.00 72.32 C ATOM 597 CE1 HIS A 38 -16.813 0.072 -2.264 1.00 72.22 C ATOM 598 NE2 HIS A 38 -16.701 -1.002 -3.057 1.00 65.22 N ATOM 0 H HIS A 38 -12.445 -1.298 -3.107 1.00 14.34 H new ATOM 0 HA HIS A 38 -12.982 0.860 -1.280 1.00 3.41 H new ATOM 0 HB2 HIS A 38 -13.368 -2.152 -1.108 1.00 31.34 H new ATOM 0 HB3 HIS A 38 -13.905 -1.028 0.125 1.00 31.34 H new ATOM 0 HD2 HIS A 38 -15.129 -2.536 -3.138 1.00 72.32 H new ATOM 0 HE1 HIS A 38 -17.633 0.774 -2.304 1.00 72.22 H new ATOM 0 HE2 HIS A 38 -17.355 -1.294 -3.783 1.00 65.22 H new ATOM 606 N VAL A 39 -10.402 -1.063 -0.740 1.00 24.11 N ATOM 607 CA VAL A 39 -9.157 -1.123 0.039 1.00 34.45 C ATOM 608 C VAL A 39 -8.487 0.259 0.057 1.00 24.43 C ATOM 609 O VAL A 39 -8.030 0.729 1.100 1.00 44.34 O ATOM 610 CB VAL A 39 -8.159 -2.173 -0.525 1.00 10.12 C ATOM 611 CG1 VAL A 39 -6.910 -2.270 0.355 1.00 53.03 C ATOM 612 CG2 VAL A 39 -8.825 -3.541 -0.663 1.00 0.11 C ATOM 0 H VAL A 39 -10.420 -1.671 -1.559 1.00 24.11 H new ATOM 0 HA VAL A 39 -9.423 -1.428 1.051 1.00 34.45 H new ATOM 0 HB VAL A 39 -7.852 -1.841 -1.517 1.00 10.12 H new ATOM 0 HG11 VAL A 39 -6.228 -3.011 -0.062 1.00 53.03 H new ATOM 0 HG12 VAL A 39 -6.414 -1.300 0.391 1.00 53.03 H new ATOM 0 HG13 VAL A 39 -7.198 -2.568 1.363 1.00 53.03 H new ATOM 0 HG21 VAL A 39 -8.106 -4.258 -1.060 1.00 0.11 H new ATOM 0 HG22 VAL A 39 -9.171 -3.877 0.314 1.00 0.11 H new ATOM 0 HG23 VAL A 39 -9.674 -3.465 -1.342 1.00 0.11 H new ATOM 622 N GLY A 40 -8.453 0.909 -1.111 1.00 2.53 N ATOM 623 CA GLY A 40 -7.948 2.278 -1.202 1.00 53.03 C ATOM 624 C GLY A 40 -8.728 3.252 -0.321 1.00 33.45 C ATOM 625 O GLY A 40 -8.144 4.119 0.331 1.00 1.30 O ATOM 0 H GLY A 40 -8.766 0.512 -1.997 1.00 2.53 H new ATOM 0 HA2 GLY A 40 -6.897 2.294 -0.912 1.00 53.03 H new ATOM 0 HA3 GLY A 40 -7.998 2.612 -2.239 1.00 53.03 H new ATOM 629 N LYS A 41 -10.054 3.108 -0.311 1.00 71.14 N ATOM 630 CA LYS A 41 -10.919 3.888 0.589 1.00 60.30 C ATOM 631 C LYS A 41 -10.527 3.678 2.062 1.00 15.33 C ATOM 632 O LYS A 41 -10.269 4.637 2.793 1.00 74.15 O ATOM 633 CB LYS A 41 -12.394 3.495 0.388 1.00 31.10 C ATOM 634 CG LYS A 41 -13.043 4.078 -0.865 1.00 62.55 C ATOM 635 CD LYS A 41 -14.471 3.555 -1.048 1.00 63.21 C ATOM 636 CE LYS A 41 -15.301 4.440 -1.973 1.00 33.32 C ATOM 637 NZ LYS A 41 -14.749 4.513 -3.352 1.00 21.03 N ATOM 0 H LYS A 41 -10.557 2.459 -0.915 1.00 71.14 H new ATOM 0 HA LYS A 41 -10.787 4.942 0.343 1.00 60.30 H new ATOM 0 HB2 LYS A 41 -12.464 2.408 0.345 1.00 31.10 H new ATOM 0 HB3 LYS A 41 -12.964 3.817 1.260 1.00 31.10 H new ATOM 0 HG2 LYS A 41 -13.058 5.166 -0.797 1.00 62.55 H new ATOM 0 HG3 LYS A 41 -12.445 3.822 -1.740 1.00 62.55 H new ATOM 0 HD2 LYS A 41 -14.435 2.544 -1.453 1.00 63.21 H new ATOM 0 HD3 LYS A 41 -14.959 3.492 -0.076 1.00 63.21 H new ATOM 0 HE2 LYS A 41 -16.321 4.058 -2.015 1.00 33.32 H new ATOM 0 HE3 LYS A 41 -15.354 5.445 -1.555 1.00 33.32 H new ATOM 0 HZ1 LYS A 41 -15.353 5.127 -3.935 1.00 21.03 H new ATOM 0 HZ2 LYS A 41 -13.786 4.904 -3.320 1.00 21.03 H new ATOM 0 HZ3 LYS A 41 -14.722 3.559 -3.766 1.00 21.03 H new ATOM 651 N ALA A 42 -10.474 2.413 2.482 1.00 72.14 N ATOM 652 CA ALA A 42 -10.136 2.054 3.865 1.00 73.30 C ATOM 653 C ALA A 42 -8.778 2.628 4.295 1.00 42.00 C ATOM 654 O ALA A 42 -8.656 3.219 5.372 1.00 53.43 O ATOM 655 CB ALA A 42 -10.146 0.538 4.027 1.00 11.31 C ATOM 0 H ALA A 42 -10.662 1.612 1.880 1.00 72.14 H new ATOM 0 HA ALA A 42 -10.893 2.494 4.515 1.00 73.30 H new ATOM 0 HB1 ALA A 42 -9.894 0.280 5.056 1.00 11.31 H new ATOM 0 HB2 ALA A 42 -11.138 0.153 3.789 1.00 11.31 H new ATOM 0 HB3 ALA A 42 -9.413 0.095 3.352 1.00 11.31 H new ATOM 661 N LEU A 43 -7.764 2.453 3.448 1.00 21.22 N ATOM 662 CA LEU A 43 -6.415 2.956 3.730 1.00 12.55 C ATOM 663 C LEU A 43 -6.370 4.494 3.705 1.00 31.10 C ATOM 664 O LEU A 43 -5.732 5.120 4.549 1.00 24.15 O ATOM 665 CB LEU A 43 -5.411 2.387 2.718 1.00 74.00 C ATOM 666 CG LEU A 43 -5.318 0.852 2.673 1.00 61.41 C ATOM 667 CD1 LEU A 43 -4.264 0.409 1.663 1.00 44.45 C ATOM 668 CD2 LEU A 43 -5.021 0.286 4.062 1.00 22.34 C ATOM 0 H LEU A 43 -7.850 1.965 2.557 1.00 21.22 H new ATOM 0 HA LEU A 43 -6.142 2.626 4.732 1.00 12.55 H new ATOM 0 HB2 LEU A 43 -5.678 2.747 1.725 1.00 74.00 H new ATOM 0 HB3 LEU A 43 -4.423 2.787 2.947 1.00 74.00 H new ATOM 0 HG LEU A 43 -6.282 0.458 2.351 1.00 61.41 H new ATOM 0 HD11 LEU A 43 -4.212 -0.680 1.645 1.00 44.45 H new ATOM 0 HD12 LEU A 43 -4.532 0.776 0.672 1.00 44.45 H new ATOM 0 HD13 LEU A 43 -3.293 0.814 1.949 1.00 44.45 H new ATOM 0 HD21 LEU A 43 -4.960 -0.801 4.007 1.00 22.34 H new ATOM 0 HD22 LEU A 43 -4.073 0.685 4.422 1.00 22.34 H new ATOM 0 HD23 LEU A 43 -5.819 0.570 4.749 1.00 22.34 H new ATOM 680 N GLY A 44 -7.060 5.094 2.733 1.00 73.04 N ATOM 681 CA GLY A 44 -7.104 6.555 2.625 1.00 31.01 C ATOM 682 C GLY A 44 -7.775 7.230 3.817 1.00 42.12 C ATOM 683 O GLY A 44 -7.600 8.431 4.043 1.00 43.33 O ATOM 0 H GLY A 44 -7.591 4.598 2.017 1.00 73.04 H new ATOM 0 HA2 GLY A 44 -6.087 6.935 2.526 1.00 31.01 H new ATOM 0 HA3 GLY A 44 -7.637 6.829 1.714 1.00 31.01 H new ATOM 687 N ASN A 45 -8.554 6.463 4.577 1.00 64.33 N ATOM 688 CA ASN A 45 -9.202 6.970 5.790 1.00 35.23 C ATOM 689 C ASN A 45 -8.277 6.864 7.014 1.00 60.24 C ATOM 690 O ASN A 45 -8.628 7.308 8.109 1.00 44.43 O ATOM 691 CB ASN A 45 -10.504 6.205 6.055 1.00 72.31 C ATOM 692 CG ASN A 45 -11.580 6.522 5.034 1.00 61.31 C ATOM 693 OD1 ASN A 45 -11.638 7.625 4.499 1.00 71.22 O ATOM 694 ND2 ASN A 45 -12.451 5.572 4.767 1.00 41.35 N ATOM 0 H ASN A 45 -8.754 5.483 4.375 1.00 64.33 H new ATOM 0 HA ASN A 45 -9.426 8.024 5.627 1.00 35.23 H new ATOM 0 HB2 ASN A 45 -10.301 5.134 6.044 1.00 72.31 H new ATOM 0 HB3 ASN A 45 -10.870 6.450 7.052 1.00 72.31 H new ATOM 0 HD21 ASN A 45 -13.202 5.742 4.098 1.00 41.35 H new ATOM 0 HD22 ASN A 45 -12.375 4.666 5.229 1.00 41.35 H new ATOM 701 N LEU A 46 -7.105 6.265 6.828 1.00 3.14 N ATOM 702 CA LEU A 46 -6.125 6.119 7.909 1.00 15.32 C ATOM 703 C LEU A 46 -5.121 7.286 7.927 1.00 21.32 C ATOM 704 O LEU A 46 -4.423 7.532 6.942 1.00 73.10 O ATOM 705 CB LEU A 46 -5.376 4.787 7.761 1.00 3.31 C ATOM 706 CG LEU A 46 -6.245 3.528 7.906 1.00 41.04 C ATOM 707 CD1 LEU A 46 -5.426 2.273 7.623 1.00 65.15 C ATOM 708 CD2 LEU A 46 -6.867 3.458 9.300 1.00 62.41 C ATOM 0 H LEU A 46 -6.806 5.870 5.936 1.00 3.14 H new ATOM 0 HA LEU A 46 -6.668 6.131 8.854 1.00 15.32 H new ATOM 0 HB2 LEU A 46 -4.894 4.766 6.783 1.00 3.31 H new ATOM 0 HB3 LEU A 46 -4.583 4.750 8.508 1.00 3.31 H new ATOM 0 HG LEU A 46 -7.050 3.585 7.174 1.00 41.04 H new ATOM 0 HD11 LEU A 46 -6.060 1.393 7.731 1.00 65.15 H new ATOM 0 HD12 LEU A 46 -5.034 2.316 6.607 1.00 65.15 H new ATOM 0 HD13 LEU A 46 -4.598 2.212 8.329 1.00 65.15 H new ATOM 0 HD21 LEU A 46 -7.478 2.559 9.381 1.00 62.41 H new ATOM 0 HD22 LEU A 46 -6.077 3.428 10.050 1.00 62.41 H new ATOM 0 HD23 LEU A 46 -7.491 4.337 9.465 1.00 62.41 H new ATOM 720 N PRO A 47 -5.037 8.025 9.052 1.00 42.12 N ATOM 721 CA PRO A 47 -4.073 9.124 9.200 1.00 2.45 C ATOM 722 C PRO A 47 -2.640 8.620 9.450 1.00 53.04 C ATOM 723 O PRO A 47 -2.432 7.469 9.853 1.00 63.31 O ATOM 724 CB PRO A 47 -4.606 9.887 10.420 1.00 4.01 C ATOM 725 CG PRO A 47 -5.296 8.848 11.240 1.00 33.30 C ATOM 726 CD PRO A 47 -5.875 7.855 10.261 1.00 42.33 C ATOM 0 HA PRO A 47 -3.997 9.732 8.299 1.00 2.45 H new ATOM 0 HB2 PRO A 47 -3.797 10.359 10.977 1.00 4.01 H new ATOM 0 HB3 PRO A 47 -5.293 10.679 10.123 1.00 4.01 H new ATOM 0 HG2 PRO A 47 -4.597 8.362 11.920 1.00 33.30 H new ATOM 0 HG3 PRO A 47 -6.080 9.293 11.853 1.00 33.30 H new ATOM 0 HD2 PRO A 47 -5.822 6.836 10.645 1.00 42.33 H new ATOM 0 HD3 PRO A 47 -6.925 8.063 10.053 1.00 42.33 H new ATOM 734 N GLU A 48 -1.650 9.477 9.211 1.00 33.02 N ATOM 735 CA GLU A 48 -0.252 9.104 9.437 1.00 14.44 C ATOM 736 C GLU A 48 0.028 8.900 10.937 1.00 42.42 C ATOM 737 O GLU A 48 -0.134 9.813 11.748 1.00 44.22 O ATOM 738 CB GLU A 48 0.693 10.152 8.826 1.00 64.23 C ATOM 739 CG GLU A 48 0.484 11.576 9.332 1.00 0.20 C ATOM 740 CD GLU A 48 1.350 12.586 8.592 1.00 31.22 C ATOM 741 OE1 GLU A 48 2.588 12.553 8.769 1.00 22.53 O ATOM 742 OE2 GLU A 48 0.799 13.409 7.825 1.00 34.45 O ATOM 0 H GLU A 48 -1.786 10.427 8.864 1.00 33.02 H new ATOM 0 HA GLU A 48 -0.065 8.154 8.937 1.00 14.44 H new ATOM 0 HB2 GLU A 48 1.722 9.856 9.031 1.00 64.23 H new ATOM 0 HB3 GLU A 48 0.569 10.145 7.743 1.00 64.23 H new ATOM 0 HG2 GLU A 48 -0.565 11.849 9.219 1.00 0.20 H new ATOM 0 HG3 GLU A 48 0.711 11.618 10.397 1.00 0.20 H new ATOM 749 N GLY A 49 0.438 7.684 11.294 1.00 22.14 N ATOM 750 CA GLY A 49 0.598 7.320 12.699 1.00 51.30 C ATOM 751 C GLY A 49 -0.442 6.300 13.166 1.00 51.23 C ATOM 752 O GLY A 49 -0.417 5.857 14.315 1.00 62.32 O ATOM 0 H GLY A 49 0.664 6.939 10.634 1.00 22.14 H new ATOM 0 HA2 GLY A 49 1.597 6.911 12.853 1.00 51.30 H new ATOM 0 HA3 GLY A 49 0.523 8.217 13.313 1.00 51.30 H new ATOM 756 N SER A 50 -1.362 5.931 12.267 1.00 35.35 N ATOM 757 CA SER A 50 -2.396 4.921 12.563 1.00 51.24 C ATOM 758 C SER A 50 -1.788 3.546 12.887 1.00 62.30 C ATOM 759 O SER A 50 -0.602 3.301 12.652 1.00 1.45 O ATOM 760 CB SER A 50 -3.371 4.782 11.379 1.00 43.13 C ATOM 761 OG SER A 50 -4.281 3.708 11.582 1.00 20.43 O ATOM 0 H SER A 50 -1.415 6.316 11.324 1.00 35.35 H new ATOM 0 HA SER A 50 -2.934 5.269 13.445 1.00 51.24 H new ATOM 0 HB2 SER A 50 -3.925 5.712 11.251 1.00 43.13 H new ATOM 0 HB3 SER A 50 -2.809 4.616 10.460 1.00 43.13 H new ATOM 0 HG SER A 50 -5.138 4.061 11.899 1.00 20.43 H new ATOM 767 N LYS A 51 -2.622 2.647 13.408 1.00 22.23 N ATOM 768 CA LYS A 51 -2.186 1.308 13.831 1.00 53.23 C ATOM 769 C LYS A 51 -1.740 0.425 12.648 1.00 30.20 C ATOM 770 O LYS A 51 -0.883 -0.446 12.802 1.00 3.41 O ATOM 771 CB LYS A 51 -3.324 0.621 14.604 1.00 23.11 C ATOM 772 CG LYS A 51 -4.624 0.496 13.807 1.00 40.31 C ATOM 773 CD LYS A 51 -5.792 0.027 14.674 1.00 51.15 C ATOM 774 CE LYS A 51 -5.562 -1.364 15.256 1.00 32.22 C ATOM 775 NZ LYS A 51 -6.718 -1.824 16.071 1.00 33.43 N ATOM 0 H LYS A 51 -3.617 2.821 13.550 1.00 22.23 H new ATOM 0 HA LYS A 51 -1.315 1.435 14.474 1.00 53.23 H new ATOM 0 HB2 LYS A 51 -2.997 -0.374 14.906 1.00 23.11 H new ATOM 0 HB3 LYS A 51 -3.521 1.183 15.517 1.00 23.11 H new ATOM 0 HG2 LYS A 51 -4.869 1.460 13.362 1.00 40.31 H new ATOM 0 HG3 LYS A 51 -4.478 -0.206 12.986 1.00 40.31 H new ATOM 0 HD2 LYS A 51 -5.946 0.737 15.487 1.00 51.15 H new ATOM 0 HD3 LYS A 51 -6.705 0.022 14.078 1.00 51.15 H new ATOM 0 HE2 LYS A 51 -5.385 -2.071 14.446 1.00 32.22 H new ATOM 0 HE3 LYS A 51 -4.664 -1.355 15.873 1.00 32.22 H new ATOM 0 HZ1 LYS A 51 -6.521 -2.773 16.448 1.00 33.43 H new ATOM 0 HZ2 LYS A 51 -6.872 -1.163 16.859 1.00 33.43 H new ATOM 0 HZ3 LYS A 51 -7.571 -1.858 15.476 1.00 33.43 H new ATOM 789 N LEU A 52 -2.321 0.656 11.471 1.00 0.51 N ATOM 790 CA LEU A 52 -2.004 -0.141 10.275 1.00 40.45 C ATOM 791 C LEU A 52 -1.063 0.617 9.324 1.00 51.34 C ATOM 792 O LEU A 52 -1.292 1.793 9.023 1.00 31.45 O ATOM 793 CB LEU A 52 -3.295 -0.501 9.523 1.00 3.34 C ATOM 794 CG LEU A 52 -3.107 -1.379 8.272 1.00 24.23 C ATOM 795 CD1 LEU A 52 -2.783 -2.817 8.664 1.00 24.53 C ATOM 796 CD2 LEU A 52 -4.339 -1.324 7.373 1.00 11.10 C ATOM 0 H LEU A 52 -3.014 1.388 11.315 1.00 0.51 H new ATOM 0 HA LEU A 52 -1.501 -1.048 10.610 1.00 40.45 H new ATOM 0 HB2 LEU A 52 -3.964 -1.017 10.211 1.00 3.34 H new ATOM 0 HB3 LEU A 52 -3.792 0.422 9.227 1.00 3.34 H new ATOM 0 HG LEU A 52 -2.263 -0.983 7.707 1.00 24.23 H new ATOM 0 HD11 LEU A 52 -2.654 -3.419 7.765 1.00 24.53 H new ATOM 0 HD12 LEU A 52 -1.863 -2.836 9.248 1.00 24.53 H new ATOM 0 HD13 LEU A 52 -3.600 -3.225 9.260 1.00 24.53 H new ATOM 0 HD21 LEU A 52 -4.179 -1.953 6.497 1.00 11.10 H new ATOM 0 HD22 LEU A 52 -5.208 -1.684 7.924 1.00 11.10 H new ATOM 0 HD23 LEU A 52 -4.511 -0.296 7.055 1.00 11.10 H new ATOM 808 N PRO A 53 0.023 -0.027 8.843 1.00 13.22 N ATOM 809 CA PRO A 53 0.858 0.557 7.786 1.00 44.13 C ATOM 810 C PRO A 53 0.162 0.503 6.410 1.00 14.20 C ATOM 811 O PRO A 53 0.244 -0.495 5.692 1.00 52.21 O ATOM 812 CB PRO A 53 2.115 -0.329 7.803 1.00 71.21 C ATOM 813 CG PRO A 53 1.641 -1.647 8.326 1.00 60.42 C ATOM 814 CD PRO A 53 0.538 -1.333 9.307 1.00 53.11 C ATOM 0 HA PRO A 53 1.070 1.613 7.954 1.00 44.13 H new ATOM 0 HB2 PRO A 53 2.543 -0.429 6.805 1.00 71.21 H new ATOM 0 HB3 PRO A 53 2.890 0.095 8.441 1.00 71.21 H new ATOM 0 HG2 PRO A 53 1.275 -2.279 7.517 1.00 60.42 H new ATOM 0 HG3 PRO A 53 2.453 -2.189 8.812 1.00 60.42 H new ATOM 0 HD2 PRO A 53 -0.239 -2.098 9.295 1.00 53.11 H new ATOM 0 HD3 PRO A 53 0.914 -1.276 10.329 1.00 53.11 H new ATOM 822 N TRP A 54 -0.505 1.594 6.046 1.00 71.50 N ATOM 823 CA TRP A 54 -1.273 1.662 4.793 1.00 53.44 C ATOM 824 C TRP A 54 -0.380 1.960 3.580 1.00 64.02 C ATOM 825 O TRP A 54 -0.705 1.607 2.446 1.00 40.45 O ATOM 826 CB TRP A 54 -2.375 2.727 4.920 1.00 14.24 C ATOM 827 CG TRP A 54 -1.895 4.055 5.440 1.00 22.51 C ATOM 828 CD1 TRP A 54 -1.911 4.477 6.739 1.00 31.51 C ATOM 829 CD2 TRP A 54 -1.337 5.132 4.678 1.00 2.53 C ATOM 830 NE1 TRP A 54 -1.399 5.747 6.831 1.00 21.24 N ATOM 831 CE2 TRP A 54 -1.040 6.174 5.580 1.00 51.51 C ATOM 832 CE3 TRP A 54 -1.061 5.320 3.319 1.00 11.32 C ATOM 833 CZ2 TRP A 54 -0.481 7.380 5.167 1.00 63.33 C ATOM 834 CZ3 TRP A 54 -0.504 6.516 2.913 1.00 22.23 C ATOM 835 CH2 TRP A 54 -0.220 7.533 3.834 1.00 13.53 C ATOM 0 H TRP A 54 -0.533 2.450 6.599 1.00 71.50 H new ATOM 0 HA TRP A 54 -1.723 0.684 4.625 1.00 53.44 H new ATOM 0 HB2 TRP A 54 -2.834 2.877 3.943 1.00 14.24 H new ATOM 0 HB3 TRP A 54 -3.154 2.350 5.583 1.00 14.24 H new ATOM 0 HD1 TRP A 54 -2.274 3.895 7.573 1.00 31.51 H new ATOM 0 HE1 TRP A 54 -1.302 6.286 7.692 1.00 21.24 H new ATOM 0 HE3 TRP A 54 -1.280 4.544 2.601 1.00 11.32 H new ATOM 0 HZ2 TRP A 54 -0.261 8.166 5.874 1.00 63.33 H new ATOM 0 HZ3 TRP A 54 -0.283 6.671 1.867 1.00 22.23 H new ATOM 0 HH2 TRP A 54 0.214 8.457 3.483 1.00 13.53 H new ATOM 846 N PHE A 55 0.758 2.589 3.836 1.00 11.00 N ATOM 847 CA PHE A 55 1.667 3.035 2.776 1.00 65.43 C ATOM 848 C PHE A 55 2.289 1.875 1.976 1.00 63.22 C ATOM 849 O PHE A 55 2.781 2.078 0.868 1.00 24.32 O ATOM 850 CB PHE A 55 2.766 3.916 3.382 1.00 62.12 C ATOM 851 CG PHE A 55 3.455 3.307 4.584 1.00 13.22 C ATOM 852 CD1 PHE A 55 4.583 2.514 4.433 1.00 0.34 C ATOM 853 CD2 PHE A 55 2.976 3.540 5.867 1.00 53.40 C ATOM 854 CE1 PHE A 55 5.217 1.967 5.532 1.00 61.55 C ATOM 855 CE2 PHE A 55 3.606 2.994 6.968 1.00 31.05 C ATOM 856 CZ PHE A 55 4.727 2.206 6.800 1.00 13.12 C ATOM 0 H PHE A 55 1.081 2.807 4.779 1.00 11.00 H new ATOM 0 HA PHE A 55 1.073 3.608 2.065 1.00 65.43 H new ATOM 0 HB2 PHE A 55 3.513 4.125 2.616 1.00 62.12 H new ATOM 0 HB3 PHE A 55 2.331 4.872 3.672 1.00 62.12 H new ATOM 0 HD1 PHE A 55 4.971 2.322 3.444 1.00 0.34 H new ATOM 0 HD2 PHE A 55 2.100 4.156 6.005 1.00 53.40 H new ATOM 0 HE1 PHE A 55 6.095 1.353 5.399 1.00 61.55 H new ATOM 0 HE2 PHE A 55 3.222 3.183 7.960 1.00 31.05 H new ATOM 0 HZ PHE A 55 5.220 1.777 7.660 1.00 13.12 H new ATOM 866 N ARG A 56 2.253 0.662 2.525 1.00 3.01 N ATOM 867 CA ARG A 56 2.862 -0.502 1.859 1.00 54.55 C ATOM 868 C ARG A 56 1.932 -1.133 0.805 1.00 12.55 C ATOM 869 O ARG A 56 2.238 -2.191 0.256 1.00 34.13 O ATOM 870 CB ARG A 56 3.279 -1.554 2.900 1.00 21.42 C ATOM 871 CG ARG A 56 4.438 -1.102 3.785 1.00 74.15 C ATOM 872 CD ARG A 56 4.798 -2.138 4.844 1.00 65.10 C ATOM 873 NE ARG A 56 5.961 -1.728 5.625 1.00 25.35 N ATOM 874 CZ ARG A 56 6.233 -2.162 6.824 1.00 3.00 C ATOM 875 NH1 ARG A 56 5.493 -3.060 7.385 1.00 70.11 N ATOM 876 NH2 ARG A 56 7.269 -1.710 7.450 1.00 22.45 N ATOM 0 H ARG A 56 1.814 0.454 3.422 1.00 3.01 H new ATOM 0 HA ARG A 56 3.746 -0.143 1.332 1.00 54.55 H new ATOM 0 HB2 ARG A 56 2.422 -1.792 3.530 1.00 21.42 H new ATOM 0 HB3 ARG A 56 3.561 -2.473 2.385 1.00 21.42 H new ATOM 0 HG2 ARG A 56 5.311 -0.904 3.163 1.00 74.15 H new ATOM 0 HG3 ARG A 56 4.175 -0.164 4.273 1.00 74.15 H new ATOM 0 HD2 ARG A 56 3.948 -2.290 5.509 1.00 65.10 H new ATOM 0 HD3 ARG A 56 5.001 -3.095 4.363 1.00 65.10 H new ATOM 0 HE ARG A 56 6.604 -1.057 5.205 1.00 25.35 H new ATOM 0 HH11 ARG A 56 4.685 -3.438 6.889 1.00 70.11 H new ATOM 0 HH12 ARG A 56 5.716 -3.391 8.323 1.00 70.11 H new ATOM 0 HH21 ARG A 56 7.871 -1.016 7.006 1.00 22.45 H new ATOM 0 HH22 ARG A 56 7.485 -2.047 8.388 1.00 22.45 H new ATOM 890 N VAL A 57 0.802 -0.486 0.524 1.00 62.32 N ATOM 891 CA VAL A 57 -0.119 -0.953 -0.523 1.00 41.24 C ATOM 892 C VAL A 57 -0.362 0.142 -1.577 1.00 61.25 C ATOM 893 O VAL A 57 -0.877 1.218 -1.268 1.00 10.10 O ATOM 894 CB VAL A 57 -1.480 -1.402 0.068 1.00 10.12 C ATOM 895 CG1 VAL A 57 -2.382 -1.986 -1.020 1.00 4.32 C ATOM 896 CG2 VAL A 57 -1.275 -2.408 1.200 1.00 4.03 C ATOM 0 H VAL A 57 0.498 0.362 1.003 1.00 62.32 H new ATOM 0 HA VAL A 57 0.357 -1.812 -0.997 1.00 41.24 H new ATOM 0 HB VAL A 57 -1.975 -0.523 0.480 1.00 10.12 H new ATOM 0 HG11 VAL A 57 -3.331 -2.294 -0.580 1.00 4.32 H new ATOM 0 HG12 VAL A 57 -2.565 -1.231 -1.785 1.00 4.32 H new ATOM 0 HG13 VAL A 57 -1.895 -2.850 -1.472 1.00 4.32 H new ATOM 0 HG21 VAL A 57 -2.244 -2.709 1.599 1.00 4.03 H new ATOM 0 HG22 VAL A 57 -0.752 -3.285 0.817 1.00 4.03 H new ATOM 0 HG23 VAL A 57 -0.683 -1.949 1.992 1.00 4.03 H new ATOM 906 N ILE A 58 0.020 -0.134 -2.823 1.00 4.22 N ATOM 907 CA ILE A 58 -0.152 0.824 -3.923 1.00 51.44 C ATOM 908 C ILE A 58 -0.977 0.225 -5.076 1.00 65.21 C ATOM 909 O ILE A 58 -1.567 -0.851 -4.946 1.00 21.15 O ATOM 910 CB ILE A 58 1.216 1.302 -4.479 1.00 14.44 C ATOM 911 CG1 ILE A 58 2.005 0.124 -5.080 1.00 53.23 C ATOM 912 CG2 ILE A 58 2.030 1.993 -3.386 1.00 13.31 C ATOM 913 CD1 ILE A 58 3.307 0.531 -5.741 1.00 43.15 C ATOM 0 H ILE A 58 0.452 -1.015 -3.100 1.00 4.22 H new ATOM 0 HA ILE A 58 -0.689 1.676 -3.507 1.00 51.44 H new ATOM 0 HB ILE A 58 1.026 2.024 -5.273 1.00 14.44 H new ATOM 0 HG12 ILE A 58 2.219 -0.597 -4.291 1.00 53.23 H new ATOM 0 HG13 ILE A 58 1.379 -0.383 -5.814 1.00 53.23 H new ATOM 0 HG21 ILE A 58 2.985 2.321 -3.796 1.00 13.31 H new ATOM 0 HG22 ILE A 58 1.480 2.857 -3.014 1.00 13.31 H new ATOM 0 HG23 ILE A 58 2.207 1.295 -2.568 1.00 13.31 H new ATOM 0 HD11 ILE A 58 3.804 -0.353 -6.140 1.00 43.15 H new ATOM 0 HD12 ILE A 58 3.100 1.228 -6.553 1.00 43.15 H new ATOM 0 HD13 ILE A 58 3.954 1.011 -5.006 1.00 43.15 H new ATOM 925 N ASN A 59 -1.026 0.932 -6.203 1.00 61.40 N ATOM 926 CA ASN A 59 -1.773 0.467 -7.377 1.00 33.04 C ATOM 927 C ASN A 59 -0.920 -0.465 -8.259 1.00 61.35 C ATOM 928 O ASN A 59 0.305 -0.499 -8.148 1.00 0.14 O ATOM 929 CB ASN A 59 -2.282 1.672 -8.187 1.00 0.34 C ATOM 930 CG ASN A 59 -1.172 2.615 -8.624 1.00 60.24 C ATOM 931 OD1 ASN A 59 -0.060 2.198 -8.925 1.00 51.51 O ATOM 932 ND2 ASN A 59 -1.465 3.900 -8.656 1.00 50.33 N ATOM 0 H ASN A 59 -0.558 1.829 -6.331 1.00 61.40 H new ATOM 0 HA ASN A 59 -2.628 -0.112 -7.028 1.00 33.04 H new ATOM 0 HB2 ASN A 59 -2.811 1.311 -9.069 1.00 0.34 H new ATOM 0 HB3 ASN A 59 -3.004 2.225 -7.587 1.00 0.34 H new ATOM 0 HD21 ASN A 59 -0.757 4.578 -8.937 1.00 50.33 H new ATOM 0 HD22 ASN A 59 -2.400 4.216 -8.400 1.00 50.33 H new ATOM 939 N SER A 60 -1.574 -1.209 -9.148 1.00 31.44 N ATOM 940 CA SER A 60 -0.871 -2.146 -10.042 1.00 12.12 C ATOM 941 C SER A 60 -0.234 -1.420 -11.237 1.00 23.12 C ATOM 942 O SER A 60 0.253 -2.051 -12.176 1.00 55.23 O ATOM 943 CB SER A 60 -1.833 -3.233 -10.542 1.00 20.34 C ATOM 944 OG SER A 60 -2.901 -2.678 -11.297 1.00 15.41 O ATOM 0 H SER A 60 -2.586 -1.187 -9.274 1.00 31.44 H new ATOM 0 HA SER A 60 -0.071 -2.611 -9.465 1.00 12.12 H new ATOM 0 HB2 SER A 60 -1.287 -3.949 -11.155 1.00 20.34 H new ATOM 0 HB3 SER A 60 -2.235 -3.783 -9.691 1.00 20.34 H new ATOM 0 HG SER A 60 -3.494 -3.396 -11.602 1.00 15.41 H new ATOM 950 N GLN A 61 -0.237 -0.087 -11.185 1.00 13.40 N ATOM 951 CA GLN A 61 0.370 0.744 -12.231 1.00 44.21 C ATOM 952 C GLN A 61 1.823 1.108 -11.877 1.00 24.23 C ATOM 953 O GLN A 61 2.554 1.672 -12.693 1.00 15.41 O ATOM 954 CB GLN A 61 -0.453 2.028 -12.410 1.00 30.23 C ATOM 955 CG GLN A 61 -1.924 1.780 -12.728 1.00 5.05 C ATOM 956 CD GLN A 61 -2.741 3.061 -12.743 1.00 33.43 C ATOM 957 OE1 GLN A 61 -3.298 3.472 -11.729 1.00 73.50 O ATOM 958 NE2 GLN A 61 -2.809 3.706 -13.890 1.00 45.11 N ATOM 0 H GLN A 61 -0.657 0.446 -10.423 1.00 13.40 H new ATOM 0 HA GLN A 61 0.376 0.174 -13.160 1.00 44.21 H new ATOM 0 HB2 GLN A 61 -0.384 2.622 -11.499 1.00 30.23 H new ATOM 0 HB3 GLN A 61 -0.013 2.621 -13.212 1.00 30.23 H new ATOM 0 HG2 GLN A 61 -2.005 1.290 -13.698 1.00 5.05 H new ATOM 0 HG3 GLN A 61 -2.341 1.095 -11.990 1.00 5.05 H new ATOM 0 HE21 GLN A 61 -2.334 3.335 -14.713 1.00 45.11 H new ATOM 0 HE22 GLN A 61 -3.337 4.576 -13.955 1.00 45.11 H new ATOM 967 N GLY A 62 2.230 0.788 -10.648 1.00 13.11 N ATOM 968 CA GLY A 62 3.567 1.132 -10.179 1.00 21.51 C ATOM 969 C GLY A 62 3.704 2.607 -9.811 1.00 4.32 C ATOM 970 O GLY A 62 4.716 3.243 -10.108 1.00 1.11 O ATOM 0 H GLY A 62 1.655 0.294 -9.965 1.00 13.11 H new ATOM 0 HA2 GLY A 62 3.810 0.521 -9.310 1.00 21.51 H new ATOM 0 HA3 GLY A 62 4.293 0.887 -10.954 1.00 21.51 H new ATOM 974 N LYS A 63 2.675 3.149 -9.165 1.00 73.53 N ATOM 975 CA LYS A 63 2.673 4.548 -8.721 1.00 51.15 C ATOM 976 C LYS A 63 2.099 4.686 -7.309 1.00 5.33 C ATOM 977 O LYS A 63 1.480 3.759 -6.779 1.00 3.51 O ATOM 978 CB LYS A 63 1.831 5.422 -9.666 1.00 72.41 C ATOM 979 CG LYS A 63 2.403 5.585 -11.068 1.00 1.52 C ATOM 980 CD LYS A 63 1.553 6.537 -11.910 1.00 60.14 C ATOM 981 CE LYS A 63 1.467 7.930 -11.288 1.00 21.04 C ATOM 982 NZ LYS A 63 0.605 8.851 -12.081 1.00 10.52 N ATOM 0 H LYS A 63 1.823 2.639 -8.934 1.00 73.53 H new ATOM 0 HA LYS A 63 3.711 4.880 -8.727 1.00 51.15 H new ATOM 0 HB2 LYS A 63 0.833 4.990 -9.744 1.00 72.41 H new ATOM 0 HB3 LYS A 63 1.717 6.409 -9.219 1.00 72.41 H new ATOM 0 HG2 LYS A 63 3.423 5.965 -11.005 1.00 1.52 H new ATOM 0 HG3 LYS A 63 2.455 4.612 -11.557 1.00 1.52 H new ATOM 0 HD2 LYS A 63 1.977 6.613 -12.911 1.00 60.14 H new ATOM 0 HD3 LYS A 63 0.549 6.126 -12.019 1.00 60.14 H new ATOM 0 HE2 LYS A 63 1.073 7.849 -10.275 1.00 21.04 H new ATOM 0 HE3 LYS A 63 2.469 8.352 -11.208 1.00 21.04 H new ATOM 0 HZ1 LYS A 63 0.577 9.783 -11.620 1.00 10.52 H new ATOM 0 HZ2 LYS A 63 0.994 8.950 -13.040 1.00 10.52 H new ATOM 0 HZ3 LYS A 63 -0.358 8.463 -12.136 1.00 10.52 H new ATOM 996 N ILE A 64 2.300 5.854 -6.711 1.00 43.23 N ATOM 997 CA ILE A 64 1.632 6.194 -5.458 1.00 65.05 C ATOM 998 C ILE A 64 0.125 6.339 -5.704 1.00 73.41 C ATOM 999 O ILE A 64 -0.321 7.271 -6.374 1.00 53.12 O ATOM 1000 CB ILE A 64 2.198 7.502 -4.847 1.00 10.34 C ATOM 1001 CG1 ILE A 64 3.697 7.331 -4.532 1.00 2.23 C ATOM 1002 CG2 ILE A 64 1.420 7.899 -3.589 1.00 11.32 C ATOM 1003 CD1 ILE A 64 4.341 8.560 -3.926 1.00 4.33 C ATOM 0 H ILE A 64 2.918 6.581 -7.071 1.00 43.23 H new ATOM 0 HA ILE A 64 1.815 5.390 -4.746 1.00 65.05 H new ATOM 0 HB ILE A 64 2.083 8.304 -5.576 1.00 10.34 H new ATOM 0 HG12 ILE A 64 3.821 6.493 -3.846 1.00 2.23 H new ATOM 0 HG13 ILE A 64 4.224 7.072 -5.450 1.00 2.23 H new ATOM 0 HG21 ILE A 64 1.836 8.819 -3.179 1.00 11.32 H new ATOM 0 HG22 ILE A 64 0.372 8.057 -3.844 1.00 11.32 H new ATOM 0 HG23 ILE A 64 1.497 7.104 -2.847 1.00 11.32 H new ATOM 0 HD11 ILE A 64 5.395 8.361 -3.733 1.00 4.33 H new ATOM 0 HD12 ILE A 64 4.251 9.397 -4.618 1.00 4.33 H new ATOM 0 HD13 ILE A 64 3.841 8.808 -2.990 1.00 4.33 H new ATOM 1015 N SER A 65 -0.648 5.389 -5.184 1.00 74.41 N ATOM 1016 CA SER A 65 -2.099 5.346 -5.423 1.00 60.40 C ATOM 1017 C SER A 65 -2.794 6.634 -4.970 1.00 15.04 C ATOM 1018 O SER A 65 -3.700 7.136 -5.641 1.00 33.32 O ATOM 1019 CB SER A 65 -2.721 4.148 -4.702 1.00 12.22 C ATOM 1020 OG SER A 65 -4.123 4.089 -4.906 1.00 12.52 O ATOM 0 H SER A 65 -0.299 4.635 -4.593 1.00 74.41 H new ATOM 0 HA SER A 65 -2.245 5.245 -6.498 1.00 60.40 H new ATOM 0 HB2 SER A 65 -2.261 3.227 -5.061 1.00 12.22 H new ATOM 0 HB3 SER A 65 -2.510 4.215 -3.635 1.00 12.22 H new ATOM 0 HG SER A 65 -4.523 3.475 -4.256 1.00 12.52 H new ATOM 1026 N LEU A 66 -2.365 7.164 -3.832 1.00 51.43 N ATOM 1027 CA LEU A 66 -2.934 8.396 -3.287 1.00 30.24 C ATOM 1028 C LEU A 66 -2.413 9.635 -4.037 1.00 4.45 C ATOM 1029 O LEU A 66 -1.377 9.585 -4.702 1.00 51.25 O ATOM 1030 CB LEU A 66 -2.611 8.496 -1.793 1.00 10.21 C ATOM 1031 CG LEU A 66 -3.103 7.307 -0.942 1.00 23.11 C ATOM 1032 CD1 LEU A 66 -2.686 7.466 0.516 1.00 75.14 C ATOM 1033 CD2 LEU A 66 -4.619 7.148 -1.051 1.00 31.20 C ATOM 0 H LEU A 66 -1.621 6.759 -3.264 1.00 51.43 H new ATOM 0 HA LEU A 66 -4.015 8.364 -3.420 1.00 30.24 H new ATOM 0 HB2 LEU A 66 -1.531 8.587 -1.675 1.00 10.21 H new ATOM 0 HB3 LEU A 66 -3.053 9.412 -1.401 1.00 10.21 H new ATOM 0 HG LEU A 66 -2.635 6.404 -1.333 1.00 23.11 H new ATOM 0 HD11 LEU A 66 -3.046 6.614 1.092 1.00 75.14 H new ATOM 0 HD12 LEU A 66 -1.599 7.514 0.580 1.00 75.14 H new ATOM 0 HD13 LEU A 66 -3.114 8.384 0.919 1.00 75.14 H new ATOM 0 HD21 LEU A 66 -4.941 6.303 -0.442 1.00 31.20 H new ATOM 0 HD22 LEU A 66 -5.106 8.057 -0.698 1.00 31.20 H new ATOM 0 HD23 LEU A 66 -4.892 6.971 -2.091 1.00 31.20 H new ATOM 1045 N LYS A 67 -3.139 10.743 -3.922 1.00 24.42 N ATOM 1046 CA LYS A 67 -2.806 11.975 -4.649 1.00 43.33 C ATOM 1047 C LYS A 67 -2.792 13.202 -3.721 1.00 25.30 C ATOM 1048 O LYS A 67 -3.406 13.198 -2.653 1.00 2.45 O ATOM 1049 CB LYS A 67 -3.807 12.186 -5.795 1.00 60.23 C ATOM 1050 CG LYS A 67 -5.274 12.118 -5.359 1.00 44.41 C ATOM 1051 CD LYS A 67 -6.235 12.216 -6.547 1.00 41.42 C ATOM 1052 CE LYS A 67 -6.162 13.576 -7.235 1.00 13.24 C ATOM 1053 NZ LYS A 67 -6.644 14.673 -6.355 1.00 75.44 N ATOM 0 H LYS A 67 -3.967 10.818 -3.331 1.00 24.42 H new ATOM 0 HA LYS A 67 -1.801 11.864 -5.056 1.00 43.33 H new ATOM 0 HB2 LYS A 67 -3.619 13.157 -6.254 1.00 60.23 H new ATOM 0 HB3 LYS A 67 -3.631 11.431 -6.562 1.00 60.23 H new ATOM 0 HG2 LYS A 67 -5.450 11.183 -4.827 1.00 44.41 H new ATOM 0 HG3 LYS A 67 -5.481 12.927 -4.659 1.00 44.41 H new ATOM 0 HD2 LYS A 67 -6.000 11.433 -7.268 1.00 41.42 H new ATOM 0 HD3 LYS A 67 -7.254 12.038 -6.204 1.00 41.42 H new ATOM 0 HE2 LYS A 67 -5.133 13.776 -7.533 1.00 13.24 H new ATOM 0 HE3 LYS A 67 -6.759 13.554 -8.146 1.00 13.24 H new ATOM 0 HZ1 LYS A 67 -6.738 15.547 -6.910 1.00 75.44 H new ATOM 0 HZ2 LYS A 67 -7.569 14.416 -5.955 1.00 75.44 H new ATOM 0 HZ3 LYS A 67 -5.963 14.824 -5.584 1.00 75.44 H new ATOM 1067 N GLY A 68 -2.076 14.248 -4.138 1.00 61.23 N ATOM 1068 CA GLY A 68 -2.002 15.479 -3.352 1.00 62.13 C ATOM 1069 C GLY A 68 -1.276 15.305 -2.019 1.00 32.20 C ATOM 1070 O GLY A 68 -0.174 14.757 -1.975 1.00 35.23 O ATOM 0 H GLY A 68 -1.544 14.267 -5.008 1.00 61.23 H new ATOM 0 HA2 GLY A 68 -1.493 16.245 -3.937 1.00 62.13 H new ATOM 0 HA3 GLY A 68 -3.012 15.842 -3.162 1.00 62.13 H new ATOM 1074 N ARG A 69 -1.898 15.772 -0.930 1.00 74.44 N ATOM 1075 CA ARG A 69 -1.330 15.637 0.427 1.00 42.14 C ATOM 1076 C ARG A 69 -0.871 14.199 0.688 1.00 22.22 C ATOM 1077 O ARG A 69 0.253 13.943 1.127 1.00 1.32 O ATOM 1078 CB ARG A 69 -2.384 15.963 1.497 1.00 23.44 C ATOM 1079 CG ARG A 69 -3.313 17.126 1.175 1.00 0.11 C ATOM 1080 CD ARG A 69 -4.552 17.064 2.063 1.00 74.42 C ATOM 1081 NE ARG A 69 -5.118 15.710 2.074 1.00 74.14 N ATOM 1082 CZ ARG A 69 -5.639 15.129 3.122 1.00 20.41 C ATOM 1083 NH1 ARG A 69 -5.716 15.751 4.252 1.00 4.15 N ATOM 1084 NH2 ARG A 69 -6.053 13.906 3.040 1.00 12.22 N ATOM 0 H ARG A 69 -2.799 16.250 -0.957 1.00 74.44 H new ATOM 0 HA ARG A 69 -0.490 16.329 0.484 1.00 42.14 H new ATOM 0 HB2 ARG A 69 -2.991 15.073 1.666 1.00 23.44 H new ATOM 0 HB3 ARG A 69 -1.870 16.181 2.433 1.00 23.44 H new ATOM 0 HG2 ARG A 69 -2.792 18.071 1.328 1.00 0.11 H new ATOM 0 HG3 ARG A 69 -3.605 17.089 0.126 1.00 0.11 H new ATOM 0 HD2 ARG A 69 -4.292 17.363 3.079 1.00 74.42 H new ATOM 0 HD3 ARG A 69 -5.299 17.772 1.703 1.00 74.42 H new ATOM 0 HE ARG A 69 -5.104 15.184 1.200 1.00 74.14 H new ATOM 0 HH11 ARG A 69 -5.368 16.706 4.333 1.00 4.15 H new ATOM 0 HH12 ARG A 69 -6.125 15.287 5.063 1.00 4.15 H new ATOM 0 HH21 ARG A 69 -5.972 13.398 2.159 1.00 12.22 H new ATOM 0 HH22 ARG A 69 -6.460 13.450 3.856 1.00 12.22 H new ATOM 1098 N ASP A 70 -1.782 13.269 0.418 1.00 21.41 N ATOM 1099 CA ASP A 70 -1.589 11.860 0.742 1.00 42.45 C ATOM 1100 C ASP A 70 -0.528 11.202 -0.155 1.00 21.35 C ATOM 1101 O ASP A 70 0.025 10.155 0.190 1.00 45.05 O ATOM 1102 CB ASP A 70 -2.932 11.135 0.633 1.00 72.34 C ATOM 1103 CG ASP A 70 -4.008 11.814 1.469 1.00 62.23 C ATOM 1104 OD1 ASP A 70 -3.962 11.694 2.710 1.00 11.13 O ATOM 1105 OD2 ASP A 70 -4.886 12.494 0.889 1.00 21.32 O ATOM 0 H ASP A 70 -2.675 13.471 -0.032 1.00 21.41 H new ATOM 0 HA ASP A 70 -1.216 11.785 1.764 1.00 42.45 H new ATOM 0 HB2 ASP A 70 -3.246 11.106 -0.410 1.00 72.34 H new ATOM 0 HB3 ASP A 70 -2.815 10.102 0.960 1.00 72.34 H new ATOM 1110 N LEU A 71 -0.234 11.828 -1.293 1.00 44.22 N ATOM 1111 CA LEU A 71 0.841 11.364 -2.173 1.00 72.23 C ATOM 1112 C LEU A 71 2.195 11.545 -1.472 1.00 0.44 C ATOM 1113 O LEU A 71 2.995 10.610 -1.386 1.00 15.21 O ATOM 1114 CB LEU A 71 0.796 12.131 -3.513 1.00 3.44 C ATOM 1115 CG LEU A 71 1.739 11.623 -4.630 1.00 21.45 C ATOM 1116 CD1 LEU A 71 1.230 12.063 -6.000 1.00 63.14 C ATOM 1117 CD2 LEU A 71 3.171 12.123 -4.421 1.00 73.10 C ATOM 0 H LEU A 71 -0.724 12.657 -1.629 1.00 44.22 H new ATOM 0 HA LEU A 71 0.706 10.304 -2.389 1.00 72.23 H new ATOM 0 HB2 LEU A 71 -0.226 12.101 -3.889 1.00 3.44 H new ATOM 0 HB3 LEU A 71 1.032 13.177 -3.316 1.00 3.44 H new ATOM 0 HG LEU A 71 1.748 10.534 -4.585 1.00 21.45 H new ATOM 0 HD11 LEU A 71 1.905 11.697 -6.774 1.00 63.14 H new ATOM 0 HD12 LEU A 71 0.233 11.655 -6.166 1.00 63.14 H new ATOM 0 HD13 LEU A 71 1.188 13.151 -6.040 1.00 63.14 H new ATOM 0 HD21 LEU A 71 3.808 11.748 -5.222 1.00 73.10 H new ATOM 0 HD22 LEU A 71 3.181 13.213 -4.429 1.00 73.10 H new ATOM 0 HD23 LEU A 71 3.545 11.764 -3.462 1.00 73.10 H new ATOM 1129 N ASP A 72 2.435 12.754 -0.964 1.00 52.22 N ATOM 1130 CA ASP A 72 3.638 13.043 -0.177 1.00 0.44 C ATOM 1131 C ASP A 72 3.695 12.188 1.103 1.00 13.42 C ATOM 1132 O ASP A 72 4.775 11.768 1.529 1.00 50.51 O ATOM 1133 CB ASP A 72 3.688 14.530 0.177 1.00 61.44 C ATOM 1134 CG ASP A 72 3.974 15.399 -1.033 1.00 41.23 C ATOM 1135 OD1 ASP A 72 3.071 15.559 -1.881 1.00 1.10 O ATOM 1136 OD2 ASP A 72 5.104 15.924 -1.138 1.00 20.44 O ATOM 0 H ASP A 72 1.811 13.552 -1.083 1.00 52.22 H new ATOM 0 HA ASP A 72 4.506 12.788 -0.785 1.00 0.44 H new ATOM 0 HB2 ASP A 72 2.738 14.828 0.620 1.00 61.44 H new ATOM 0 HB3 ASP A 72 4.457 14.696 0.931 1.00 61.44 H new ATOM 1141 N ARG A 73 2.533 11.943 1.716 1.00 3.44 N ATOM 1142 CA ARG A 73 2.445 11.049 2.881 1.00 22.45 C ATOM 1143 C ARG A 73 3.011 9.656 2.565 1.00 52.01 C ATOM 1144 O ARG A 73 4.005 9.234 3.161 1.00 50.43 O ATOM 1145 CB ARG A 73 0.994 10.926 3.379 1.00 61.40 C ATOM 1146 CG ARG A 73 0.522 12.111 4.215 1.00 2.04 C ATOM 1147 CD ARG A 73 -0.904 11.916 4.723 1.00 21.22 C ATOM 1148 NE ARG A 73 -1.278 12.933 5.703 1.00 3.44 N ATOM 1149 CZ ARG A 73 -2.425 13.560 5.718 1.00 42.34 C ATOM 1150 NH1 ARG A 73 -3.340 13.302 4.837 1.00 14.35 N ATOM 1151 NH2 ARG A 73 -2.659 14.442 6.631 1.00 1.42 N ATOM 0 H ARG A 73 1.642 12.348 1.429 1.00 3.44 H new ATOM 0 HA ARG A 73 3.049 11.494 3.672 1.00 22.45 H new ATOM 0 HB2 ARG A 73 0.334 10.816 2.519 1.00 61.40 H new ATOM 0 HB3 ARG A 73 0.900 10.016 3.972 1.00 61.40 H new ATOM 0 HG2 ARG A 73 1.194 12.248 5.062 1.00 2.04 H new ATOM 0 HG3 ARG A 73 0.573 13.021 3.617 1.00 2.04 H new ATOM 0 HD2 ARG A 73 -1.597 11.950 3.882 1.00 21.22 H new ATOM 0 HD3 ARG A 73 -0.997 10.927 5.172 1.00 21.22 H new ATOM 0 HE ARG A 73 -0.598 13.170 6.425 1.00 3.44 H new ATOM 0 HH11 ARG A 73 -3.171 12.600 4.117 1.00 14.35 H new ATOM 0 HH12 ARG A 73 -4.229 13.801 4.864 1.00 14.35 H new ATOM 0 HH21 ARG A 73 -1.951 14.647 7.336 1.00 1.42 H new ATOM 0 HH22 ARG A 73 -3.552 14.934 6.648 1.00 1.42 H new ATOM 1165 N GLN A 74 2.386 8.954 1.617 1.00 71.01 N ATOM 1166 CA GLN A 74 2.837 7.612 1.223 1.00 1.21 C ATOM 1167 C GLN A 74 4.293 7.642 0.720 1.00 1.54 C ATOM 1168 O GLN A 74 5.067 6.720 0.979 1.00 54.43 O ATOM 1169 CB GLN A 74 1.898 7.027 0.152 1.00 32.51 C ATOM 1170 CG GLN A 74 2.226 5.585 -0.239 1.00 70.15 C ATOM 1171 CD GLN A 74 1.109 4.904 -1.022 1.00 51.43 C ATOM 1172 OE1 GLN A 74 0.354 5.540 -1.753 1.00 74.01 O ATOM 1173 NE2 GLN A 74 0.997 3.598 -0.874 1.00 34.13 N ATOM 0 H GLN A 74 1.568 9.289 1.108 1.00 71.01 H new ATOM 0 HA GLN A 74 2.804 6.968 2.102 1.00 1.21 H new ATOM 0 HB2 GLN A 74 0.873 7.069 0.520 1.00 32.51 H new ATOM 0 HB3 GLN A 74 1.943 7.654 -0.739 1.00 32.51 H new ATOM 0 HG2 GLN A 74 3.137 5.576 -0.837 1.00 70.15 H new ATOM 0 HG3 GLN A 74 2.431 5.009 0.663 1.00 70.15 H new ATOM 0 HE21 GLN A 74 1.639 3.097 -0.260 1.00 34.13 H new ATOM 0 HE22 GLN A 74 0.268 3.089 -1.374 1.00 34.13 H new ATOM 1182 N LYS A 75 4.655 8.717 0.021 1.00 63.33 N ATOM 1183 CA LYS A 75 6.038 8.946 -0.418 1.00 24.54 C ATOM 1184 C LYS A 75 7.031 8.842 0.756 1.00 32.42 C ATOM 1185 O LYS A 75 7.850 7.925 0.814 1.00 12.33 O ATOM 1186 CB LYS A 75 6.146 10.337 -1.067 1.00 61.21 C ATOM 1187 CG LYS A 75 7.572 10.778 -1.396 1.00 52.02 C ATOM 1188 CD LYS A 75 7.620 12.254 -1.793 1.00 74.11 C ATOM 1189 CE LYS A 75 9.047 12.740 -2.024 1.00 3.51 C ATOM 1190 NZ LYS A 75 9.096 14.203 -2.293 1.00 55.14 N ATOM 0 H LYS A 75 4.005 9.452 -0.257 1.00 63.33 H new ATOM 0 HA LYS A 75 6.296 8.174 -1.143 1.00 24.54 H new ATOM 0 HB2 LYS A 75 5.558 10.342 -1.985 1.00 61.21 H new ATOM 0 HB3 LYS A 75 5.698 11.071 -0.397 1.00 61.21 H new ATOM 0 HG2 LYS A 75 8.215 10.611 -0.532 1.00 52.02 H new ATOM 0 HG3 LYS A 75 7.965 10.168 -2.209 1.00 52.02 H new ATOM 0 HD2 LYS A 75 7.035 12.404 -2.700 1.00 74.11 H new ATOM 0 HD3 LYS A 75 7.155 12.855 -1.011 1.00 74.11 H new ATOM 0 HE2 LYS A 75 9.655 12.511 -1.149 1.00 3.51 H new ATOM 0 HE3 LYS A 75 9.483 12.201 -2.865 1.00 3.51 H new ATOM 0 HZ1 LYS A 75 10.082 14.495 -2.445 1.00 55.14 H new ATOM 0 HZ2 LYS A 75 8.536 14.419 -3.143 1.00 55.14 H new ATOM 0 HZ3 LYS A 75 8.703 14.719 -1.480 1.00 55.14 H new ATOM 1204 N GLN A 76 6.923 9.779 1.701 1.00 33.34 N ATOM 1205 CA GLN A 76 7.854 9.864 2.837 1.00 64.22 C ATOM 1206 C GLN A 76 7.788 8.623 3.735 1.00 12.15 C ATOM 1207 O GLN A 76 8.783 8.239 4.357 1.00 63.12 O ATOM 1208 CB GLN A 76 7.568 11.126 3.656 1.00 53.13 C ATOM 1209 CG GLN A 76 7.805 12.416 2.884 1.00 75.23 C ATOM 1210 CD GLN A 76 7.513 13.656 3.705 1.00 15.24 C ATOM 1211 OE1 GLN A 76 6.639 13.655 4.566 1.00 71.45 O ATOM 1212 NE2 GLN A 76 8.260 14.717 3.465 1.00 44.03 N ATOM 0 H GLN A 76 6.197 10.495 1.704 1.00 33.34 H new ATOM 0 HA GLN A 76 8.864 9.914 2.429 1.00 64.22 H new ATOM 0 HB2 GLN A 76 6.533 11.101 3.998 1.00 53.13 H new ATOM 0 HB3 GLN A 76 8.198 11.123 4.546 1.00 53.13 H new ATOM 0 HG2 GLN A 76 8.841 12.446 2.545 1.00 75.23 H new ATOM 0 HG3 GLN A 76 7.178 12.421 1.992 1.00 75.23 H new ATOM 0 HE21 GLN A 76 8.978 14.682 2.741 1.00 44.03 H new ATOM 0 HE22 GLN A 76 8.120 15.572 4.003 1.00 44.03 H new ATOM 1221 N LYS A 77 6.615 8.005 3.814 1.00 33.12 N ATOM 1222 CA LYS A 77 6.464 6.742 4.537 1.00 24.42 C ATOM 1223 C LYS A 77 7.349 5.652 3.913 1.00 4.24 C ATOM 1224 O LYS A 77 8.056 4.931 4.616 1.00 42.41 O ATOM 1225 CB LYS A 77 4.997 6.299 4.531 1.00 31.24 C ATOM 1226 CG LYS A 77 4.086 7.135 5.426 1.00 30.45 C ATOM 1227 CD LYS A 77 4.434 6.962 6.902 1.00 54.41 C ATOM 1228 CE LYS A 77 3.546 7.815 7.800 1.00 25.01 C ATOM 1229 NZ LYS A 77 3.911 7.665 9.231 1.00 3.41 N ATOM 0 H LYS A 77 5.756 8.354 3.389 1.00 33.12 H new ATOM 0 HA LYS A 77 6.781 6.896 5.568 1.00 24.42 H new ATOM 0 HB2 LYS A 77 4.621 6.341 3.509 1.00 31.24 H new ATOM 0 HB3 LYS A 77 4.943 5.258 4.848 1.00 31.24 H new ATOM 0 HG2 LYS A 77 4.172 8.187 5.152 1.00 30.45 H new ATOM 0 HG3 LYS A 77 3.048 6.846 5.260 1.00 30.45 H new ATOM 0 HD2 LYS A 77 4.329 5.913 7.179 1.00 54.41 H new ATOM 0 HD3 LYS A 77 5.478 7.231 7.063 1.00 54.41 H new ATOM 0 HE2 LYS A 77 3.633 8.862 7.510 1.00 25.01 H new ATOM 0 HE3 LYS A 77 2.503 7.530 7.658 1.00 25.01 H new ATOM 0 HZ1 LYS A 77 3.287 8.259 9.813 1.00 3.41 H new ATOM 0 HZ2 LYS A 77 3.804 6.670 9.514 1.00 3.41 H new ATOM 0 HZ3 LYS A 77 4.898 7.960 9.370 1.00 3.41 H new ATOM 1243 N LEU A 78 7.320 5.554 2.585 1.00 25.53 N ATOM 1244 CA LEU A 78 8.159 4.592 1.864 1.00 3.23 C ATOM 1245 C LEU A 78 9.641 5.011 1.875 1.00 13.35 C ATOM 1246 O LEU A 78 10.537 4.166 1.810 1.00 21.02 O ATOM 1247 CB LEU A 78 7.653 4.423 0.427 1.00 2.11 C ATOM 1248 CG LEU A 78 6.211 3.899 0.309 1.00 73.15 C ATOM 1249 CD1 LEU A 78 5.808 3.736 -1.151 1.00 4.02 C ATOM 1250 CD2 LEU A 78 6.049 2.583 1.069 1.00 35.15 C ATOM 0 H LEU A 78 6.726 6.127 1.985 1.00 25.53 H new ATOM 0 HA LEU A 78 8.089 3.633 2.378 1.00 3.23 H new ATOM 0 HB2 LEU A 78 7.718 5.385 -0.082 1.00 2.11 H new ATOM 0 HB3 LEU A 78 8.318 3.738 -0.099 1.00 2.11 H new ATOM 0 HG LEU A 78 5.546 4.636 0.760 1.00 73.15 H new ATOM 0 HD11 LEU A 78 4.785 3.364 -1.207 1.00 4.02 H new ATOM 0 HD12 LEU A 78 5.872 4.700 -1.656 1.00 4.02 H new ATOM 0 HD13 LEU A 78 6.478 3.027 -1.637 1.00 4.02 H new ATOM 0 HD21 LEU A 78 5.022 2.231 0.972 1.00 35.15 H new ATOM 0 HD22 LEU A 78 6.729 1.838 0.655 1.00 35.15 H new ATOM 0 HD23 LEU A 78 6.281 2.740 2.122 1.00 35.15 H new ATOM 1262 N GLU A 79 9.902 6.315 1.963 1.00 34.42 N ATOM 1263 CA GLU A 79 11.275 6.810 2.141 1.00 22.15 C ATOM 1264 C GLU A 79 11.817 6.398 3.521 1.00 71.20 C ATOM 1265 O GLU A 79 13.025 6.229 3.706 1.00 23.12 O ATOM 1266 CB GLU A 79 11.336 8.336 1.977 1.00 74.11 C ATOM 1267 CG GLU A 79 10.841 8.828 0.620 1.00 42.40 C ATOM 1268 CD GLU A 79 11.071 10.318 0.406 1.00 44.50 C ATOM 1269 OE1 GLU A 79 10.545 11.127 1.200 1.00 64.10 O ATOM 1270 OE2 GLU A 79 11.772 10.682 -0.565 1.00 22.01 O ATOM 0 H GLU A 79 9.191 7.045 1.915 1.00 34.42 H new ATOM 0 HA GLU A 79 11.900 6.361 1.369 1.00 22.15 H new ATOM 0 HB2 GLU A 79 10.739 8.801 2.762 1.00 74.11 H new ATOM 0 HB3 GLU A 79 12.365 8.667 2.120 1.00 74.11 H new ATOM 0 HG2 GLU A 79 11.347 8.271 -0.169 1.00 42.40 H new ATOM 0 HG3 GLU A 79 9.776 8.614 0.529 1.00 42.40 H new ATOM 1277 N ALA A 80 10.908 6.234 4.484 1.00 11.35 N ATOM 1278 CA ALA A 80 11.255 5.682 5.800 1.00 3.20 C ATOM 1279 C ALA A 80 11.509 4.166 5.709 1.00 40.55 C ATOM 1280 O ALA A 80 12.202 3.585 6.544 1.00 31.05 O ATOM 1281 CB ALA A 80 10.154 5.986 6.813 1.00 33.24 C ATOM 0 H ALA A 80 9.923 6.476 4.379 1.00 11.35 H new ATOM 0 HA ALA A 80 12.175 6.158 6.139 1.00 3.20 H new ATOM 0 HB1 ALA A 80 10.427 5.570 7.783 1.00 33.24 H new ATOM 0 HB2 ALA A 80 10.030 7.065 6.903 1.00 33.24 H new ATOM 0 HB3 ALA A 80 9.218 5.540 6.477 1.00 33.24 H new ATOM 1287 N GLU A 81 10.932 3.537 4.686 1.00 21.43 N ATOM 1288 CA GLU A 81 11.169 2.116 4.406 1.00 61.10 C ATOM 1289 C GLU A 81 12.482 1.919 3.630 1.00 22.31 C ATOM 1290 O GLU A 81 13.107 0.860 3.703 1.00 33.14 O ATOM 1291 CB GLU A 81 10.005 1.541 3.588 1.00 10.44 C ATOM 1292 CG GLU A 81 8.646 1.640 4.270 1.00 12.30 C ATOM 1293 CD GLU A 81 8.537 0.763 5.506 1.00 3.04 C ATOM 1294 OE1 GLU A 81 8.492 -0.473 5.354 1.00 22.52 O ATOM 1295 OE2 GLU A 81 8.500 1.298 6.631 1.00 61.04 O ATOM 0 H GLU A 81 10.293 3.990 4.032 1.00 21.43 H new ATOM 0 HA GLU A 81 11.244 1.592 5.359 1.00 61.10 H new ATOM 0 HB2 GLU A 81 9.957 2.062 2.632 1.00 10.44 H new ATOM 0 HB3 GLU A 81 10.213 0.493 3.370 1.00 10.44 H new ATOM 0 HG2 GLU A 81 8.461 2.677 4.550 1.00 12.30 H new ATOM 0 HG3 GLU A 81 7.868 1.357 3.561 1.00 12.30 H new ATOM 1302 N GLY A 82 12.890 2.950 2.886 1.00 75.32 N ATOM 1303 CA GLY A 82 14.104 2.874 2.074 1.00 10.33 C ATOM 1304 C GLY A 82 13.822 2.568 0.602 1.00 35.30 C ATOM 1305 O GLY A 82 14.585 1.856 -0.053 1.00 22.15 O ATOM 0 H GLY A 82 12.399 3.843 2.830 1.00 75.32 H new ATOM 0 HA2 GLY A 82 14.642 3.819 2.146 1.00 10.33 H new ATOM 0 HA3 GLY A 82 14.758 2.103 2.481 1.00 10.33 H new ATOM 1309 N ILE A 83 12.732 3.128 0.076 1.00 75.02 N ATOM 1310 CA ILE A 83 12.296 2.858 -1.302 1.00 45.12 C ATOM 1311 C ILE A 83 12.577 4.044 -2.248 1.00 22.11 C ATOM 1312 O ILE A 83 12.358 5.206 -1.887 1.00 75.13 O ATOM 1313 CB ILE A 83 10.777 2.531 -1.328 1.00 1.44 C ATOM 1314 CG1 ILE A 83 10.488 1.282 -0.472 1.00 2.21 C ATOM 1315 CG2 ILE A 83 10.276 2.340 -2.759 1.00 63.20 C ATOM 1316 CD1 ILE A 83 9.031 0.864 -0.455 1.00 24.41 C ATOM 0 H ILE A 83 12.129 3.776 0.584 1.00 75.02 H new ATOM 0 HA ILE A 83 12.871 2.003 -1.656 1.00 45.12 H new ATOM 0 HB ILE A 83 10.237 3.377 -0.903 1.00 1.44 H new ATOM 0 HG12 ILE A 83 11.088 0.452 -0.846 1.00 2.21 H new ATOM 0 HG13 ILE A 83 10.811 1.474 0.551 1.00 2.21 H new ATOM 0 HG21 ILE A 83 9.210 2.112 -2.744 1.00 63.20 H new ATOM 0 HG22 ILE A 83 10.444 3.254 -3.328 1.00 63.20 H new ATOM 0 HG23 ILE A 83 10.816 1.517 -3.227 1.00 63.20 H new ATOM 0 HD11 ILE A 83 8.914 -0.022 0.169 1.00 24.41 H new ATOM 0 HD12 ILE A 83 8.424 1.675 -0.052 1.00 24.41 H new ATOM 0 HD13 ILE A 83 8.706 0.638 -1.470 1.00 24.41 H new ATOM 1328 N GLU A 84 13.077 3.748 -3.458 1.00 33.02 N ATOM 1329 CA GLU A 84 13.233 4.772 -4.504 1.00 43.53 C ATOM 1330 C GLU A 84 11.872 5.272 -5.013 1.00 22.54 C ATOM 1331 O GLU A 84 11.273 4.674 -5.909 1.00 40.41 O ATOM 1332 CB GLU A 84 14.053 4.242 -5.702 1.00 63.45 C ATOM 1333 CG GLU A 84 15.570 4.276 -5.512 1.00 72.12 C ATOM 1334 CD GLU A 84 16.101 3.160 -4.628 1.00 42.23 C ATOM 1335 OE1 GLU A 84 16.374 2.059 -5.155 1.00 31.45 O ATOM 1336 OE2 GLU A 84 16.268 3.380 -3.410 1.00 71.21 O ATOM 0 H GLU A 84 13.379 2.814 -3.736 1.00 33.02 H new ATOM 0 HA GLU A 84 13.769 5.602 -4.044 1.00 43.53 H new ATOM 0 HB2 GLU A 84 13.750 3.215 -5.904 1.00 63.45 H new ATOM 0 HB3 GLU A 84 13.799 4.829 -6.585 1.00 63.45 H new ATOM 0 HG2 GLU A 84 16.051 4.214 -6.488 1.00 72.12 H new ATOM 0 HG3 GLU A 84 15.851 5.236 -5.079 1.00 72.12 H new ATOM 1343 N VAL A 85 11.382 6.360 -4.429 1.00 53.14 N ATOM 1344 CA VAL A 85 10.160 7.008 -4.908 1.00 23.40 C ATOM 1345 C VAL A 85 10.496 8.014 -6.017 1.00 65.32 C ATOM 1346 O VAL A 85 11.075 9.071 -5.754 1.00 52.03 O ATOM 1347 CB VAL A 85 9.409 7.729 -3.760 1.00 74.42 C ATOM 1348 CG1 VAL A 85 8.121 8.377 -4.275 1.00 34.40 C ATOM 1349 CG2 VAL A 85 9.114 6.757 -2.618 1.00 25.41 C ATOM 0 H VAL A 85 11.810 6.814 -3.622 1.00 53.14 H new ATOM 0 HA VAL A 85 9.507 6.230 -5.304 1.00 23.40 H new ATOM 0 HB VAL A 85 10.051 8.521 -3.375 1.00 74.42 H new ATOM 0 HG11 VAL A 85 7.611 8.877 -3.452 1.00 34.40 H new ATOM 0 HG12 VAL A 85 8.364 9.106 -5.048 1.00 34.40 H new ATOM 0 HG13 VAL A 85 7.469 7.610 -4.693 1.00 34.40 H new ATOM 0 HG21 VAL A 85 8.586 7.281 -1.821 1.00 25.41 H new ATOM 0 HG22 VAL A 85 8.494 5.940 -2.987 1.00 25.41 H new ATOM 0 HG23 VAL A 85 10.051 6.356 -2.230 1.00 25.41 H new ATOM 1359 N SER A 86 10.160 7.669 -7.257 1.00 71.43 N ATOM 1360 CA SER A 86 10.469 8.528 -8.410 1.00 3.52 C ATOM 1361 C SER A 86 9.707 9.861 -8.335 1.00 32.20 C ATOM 1362 O SER A 86 8.565 9.903 -7.872 1.00 0.12 O ATOM 1363 CB SER A 86 10.150 7.812 -9.727 1.00 61.05 C ATOM 1364 OG SER A 86 10.578 8.578 -10.844 1.00 50.30 O ATOM 0 H SER A 86 9.675 6.804 -7.495 1.00 71.43 H new ATOM 0 HA SER A 86 11.537 8.743 -8.379 1.00 3.52 H new ATOM 0 HB2 SER A 86 10.638 6.838 -9.742 1.00 61.05 H new ATOM 0 HB3 SER A 86 9.077 7.632 -9.796 1.00 61.05 H new ATOM 0 HG SER A 86 10.364 8.098 -11.671 1.00 50.30 H new ATOM 1370 N GLU A 87 10.341 10.916 -8.860 1.00 64.44 N ATOM 1371 CA GLU A 87 9.925 12.326 -8.672 1.00 43.31 C ATOM 1372 C GLU A 87 8.395 12.568 -8.628 1.00 22.51 C ATOM 1373 O GLU A 87 7.887 13.150 -7.666 1.00 1.25 O ATOM 1374 CB GLU A 87 10.555 13.191 -9.778 1.00 4.51 C ATOM 1375 CG GLU A 87 10.169 12.773 -11.195 1.00 62.01 C ATOM 1376 CD GLU A 87 10.786 13.661 -12.261 1.00 30.41 C ATOM 1377 OE1 GLU A 87 10.215 14.734 -12.551 1.00 53.13 O ATOM 1378 OE2 GLU A 87 11.844 13.291 -12.814 1.00 4.12 O ATOM 0 H GLU A 87 11.175 10.820 -9.440 1.00 64.44 H new ATOM 0 HA GLU A 87 10.285 12.608 -7.683 1.00 43.31 H new ATOM 0 HB2 GLU A 87 10.260 14.229 -9.624 1.00 4.51 H new ATOM 0 HB3 GLU A 87 11.640 13.150 -9.682 1.00 4.51 H new ATOM 0 HG2 GLU A 87 10.481 11.742 -11.362 1.00 62.01 H new ATOM 0 HG3 GLU A 87 9.084 12.797 -11.293 1.00 62.01 H new ATOM 1385 N ILE A 88 7.665 12.143 -9.660 1.00 44.41 N ATOM 1386 CA ILE A 88 6.229 12.462 -9.773 1.00 22.41 C ATOM 1387 C ILE A 88 5.330 11.441 -9.049 1.00 74.45 C ATOM 1388 O ILE A 88 4.106 11.469 -9.186 1.00 42.23 O ATOM 1389 CB ILE A 88 5.798 12.615 -11.265 1.00 52.23 C ATOM 1390 CG1 ILE A 88 6.203 11.389 -12.116 1.00 12.24 C ATOM 1391 CG2 ILE A 88 6.394 13.891 -11.860 1.00 4.13 C ATOM 1392 CD1 ILE A 88 5.292 10.187 -11.963 1.00 42.00 C ATOM 0 H ILE A 88 8.034 11.581 -10.427 1.00 44.41 H new ATOM 0 HA ILE A 88 6.089 13.419 -9.271 1.00 22.41 H new ATOM 0 HB ILE A 88 4.710 12.681 -11.284 1.00 52.23 H new ATOM 0 HG12 ILE A 88 6.223 11.682 -13.166 1.00 12.24 H new ATOM 0 HG13 ILE A 88 7.218 11.096 -11.848 1.00 12.24 H new ATOM 0 HG21 ILE A 88 6.086 13.986 -12.901 1.00 4.13 H new ATOM 0 HG22 ILE A 88 6.040 14.755 -11.297 1.00 4.13 H new ATOM 0 HG23 ILE A 88 7.482 13.844 -11.807 1.00 4.13 H new ATOM 0 HD11 ILE A 88 5.651 9.375 -12.595 1.00 42.00 H new ATOM 0 HD12 ILE A 88 5.289 9.862 -10.922 1.00 42.00 H new ATOM 0 HD13 ILE A 88 4.279 10.458 -12.261 1.00 42.00 H new ATOM 1404 N GLY A 89 5.941 10.558 -8.265 1.00 74.02 N ATOM 1405 CA GLY A 89 5.185 9.562 -7.507 1.00 20.24 C ATOM 1406 C GLY A 89 5.117 8.188 -8.179 1.00 32.24 C ATOM 1407 O GLY A 89 4.044 7.592 -8.277 1.00 71.14 O ATOM 0 H GLY A 89 6.952 10.510 -8.137 1.00 74.02 H new ATOM 0 HA2 GLY A 89 5.637 9.451 -6.521 1.00 20.24 H new ATOM 0 HA3 GLY A 89 4.171 9.930 -7.353 1.00 20.24 H new ATOM 1411 N LYS A 90 6.262 7.675 -8.634 1.00 34.15 N ATOM 1412 CA LYS A 90 6.325 6.322 -9.228 1.00 72.10 C ATOM 1413 C LYS A 90 7.176 5.372 -8.375 1.00 63.32 C ATOM 1414 O LYS A 90 8.156 5.781 -7.754 1.00 74.51 O ATOM 1415 CB LYS A 90 6.866 6.364 -10.668 1.00 63.23 C ATOM 1416 CG LYS A 90 5.827 6.772 -11.704 1.00 11.11 C ATOM 1417 CD LYS A 90 6.415 6.797 -13.112 1.00 13.40 C ATOM 1418 CE LYS A 90 5.365 7.155 -14.159 1.00 10.02 C ATOM 1419 NZ LYS A 90 5.947 7.242 -15.525 1.00 1.12 N ATOM 0 H LYS A 90 7.156 8.165 -8.607 1.00 34.15 H new ATOM 0 HA LYS A 90 5.304 5.940 -9.254 1.00 72.10 H new ATOM 0 HB2 LYS A 90 7.702 7.062 -10.712 1.00 63.23 H new ATOM 0 HB3 LYS A 90 7.258 5.380 -10.928 1.00 63.23 H new ATOM 0 HG2 LYS A 90 4.988 6.077 -11.672 1.00 11.11 H new ATOM 0 HG3 LYS A 90 5.433 7.758 -11.456 1.00 11.11 H new ATOM 0 HD2 LYS A 90 7.230 7.520 -13.153 1.00 13.40 H new ATOM 0 HD3 LYS A 90 6.842 5.822 -13.345 1.00 13.40 H new ATOM 0 HE2 LYS A 90 4.573 6.406 -14.149 1.00 10.02 H new ATOM 0 HE3 LYS A 90 4.905 8.108 -13.900 1.00 10.02 H new ATOM 0 HZ1 LYS A 90 5.200 7.487 -16.206 1.00 1.12 H new ATOM 0 HZ2 LYS A 90 6.685 7.975 -15.542 1.00 1.12 H new ATOM 0 HZ3 LYS A 90 6.364 6.325 -15.784 1.00 1.12 H new ATOM 1433 N ILE A 91 6.785 4.097 -8.358 1.00 32.45 N ATOM 1434 CA ILE A 91 7.453 3.075 -7.542 1.00 31.32 C ATOM 1435 C ILE A 91 7.776 1.823 -8.376 1.00 3.44 C ATOM 1436 O ILE A 91 6.967 1.377 -9.195 1.00 5.21 O ATOM 1437 CB ILE A 91 6.561 2.666 -6.340 1.00 53.25 C ATOM 1438 CG1 ILE A 91 6.138 3.911 -5.536 1.00 73.15 C ATOM 1439 CG2 ILE A 91 7.290 1.664 -5.441 1.00 11.22 C ATOM 1440 CD1 ILE A 91 5.101 3.631 -4.469 1.00 51.00 C ATOM 0 H ILE A 91 6.001 3.742 -8.905 1.00 32.45 H new ATOM 0 HA ILE A 91 8.384 3.508 -7.175 1.00 31.32 H new ATOM 0 HB ILE A 91 5.663 2.184 -6.727 1.00 53.25 H new ATOM 0 HG12 ILE A 91 7.021 4.344 -5.066 1.00 73.15 H new ATOM 0 HG13 ILE A 91 5.744 4.659 -6.224 1.00 73.15 H new ATOM 0 HG21 ILE A 91 6.647 1.391 -4.605 1.00 11.22 H new ATOM 0 HG22 ILE A 91 7.536 0.771 -6.016 1.00 11.22 H new ATOM 0 HG23 ILE A 91 8.207 2.116 -5.061 1.00 11.22 H new ATOM 0 HD11 ILE A 91 4.856 4.557 -3.948 1.00 51.00 H new ATOM 0 HD12 ILE A 91 4.201 3.227 -4.933 1.00 51.00 H new ATOM 0 HD13 ILE A 91 5.498 2.908 -3.757 1.00 51.00 H new ATOM 1452 N ALA A 92 8.962 1.257 -8.167 1.00 73.34 N ATOM 1453 CA ALA A 92 9.385 0.057 -8.894 1.00 3.41 C ATOM 1454 C ALA A 92 8.883 -1.227 -8.212 1.00 71.34 C ATOM 1455 O ALA A 92 9.531 -1.749 -7.304 1.00 31.35 O ATOM 1456 CB ALA A 92 10.906 0.024 -9.024 1.00 25.41 C ATOM 0 H ALA A 92 9.649 1.608 -7.500 1.00 73.34 H new ATOM 0 HA ALA A 92 8.941 0.101 -9.889 1.00 3.41 H new ATOM 0 HB1 ALA A 92 11.205 -0.873 -9.566 1.00 25.41 H new ATOM 0 HB2 ALA A 92 11.244 0.906 -9.567 1.00 25.41 H new ATOM 0 HB3 ALA A 92 11.356 0.015 -8.031 1.00 25.41 H new ATOM 1462 N LEU A 93 7.725 -1.726 -8.648 1.00 11.43 N ATOM 1463 CA LEU A 93 7.169 -2.977 -8.112 1.00 41.30 C ATOM 1464 C LEU A 93 8.175 -4.132 -8.202 1.00 62.44 C ATOM 1465 O LEU A 93 8.528 -4.726 -7.194 1.00 65.53 O ATOM 1466 CB LEU A 93 5.870 -3.346 -8.845 1.00 0.52 C ATOM 1467 CG LEU A 93 4.643 -2.491 -8.479 1.00 62.21 C ATOM 1468 CD1 LEU A 93 3.442 -2.860 -9.348 1.00 24.02 C ATOM 1469 CD2 LEU A 93 4.304 -2.654 -6.998 1.00 72.32 C ATOM 0 H LEU A 93 7.153 -1.287 -9.369 1.00 11.43 H new ATOM 0 HA LEU A 93 6.948 -2.811 -7.058 1.00 41.30 H new ATOM 0 HB2 LEU A 93 6.042 -3.265 -9.918 1.00 0.52 H new ATOM 0 HB3 LEU A 93 5.639 -4.391 -8.638 1.00 0.52 H new ATOM 0 HG LEU A 93 4.887 -1.446 -8.667 1.00 62.21 H new ATOM 0 HD11 LEU A 93 2.588 -2.242 -9.070 1.00 24.02 H new ATOM 0 HD12 LEU A 93 3.686 -2.691 -10.397 1.00 24.02 H new ATOM 0 HD13 LEU A 93 3.194 -3.911 -9.198 1.00 24.02 H new ATOM 0 HD21 LEU A 93 3.434 -2.043 -6.754 1.00 72.32 H new ATOM 0 HD22 LEU A 93 4.083 -3.701 -6.788 1.00 72.32 H new ATOM 0 HD23 LEU A 93 5.153 -2.334 -6.393 1.00 72.32 H new ATOM 1481 N ARG A 94 8.654 -4.425 -9.408 1.00 12.11 N ATOM 1482 CA ARG A 94 9.636 -5.501 -9.623 1.00 61.31 C ATOM 1483 C ARG A 94 10.794 -5.463 -8.605 1.00 63.05 C ATOM 1484 O ARG A 94 11.352 -6.501 -8.248 1.00 22.40 O ATOM 1485 CB ARG A 94 10.200 -5.405 -11.046 1.00 40.02 C ATOM 1486 CG ARG A 94 11.302 -6.415 -11.347 1.00 41.22 C ATOM 1487 CD ARG A 94 11.869 -6.220 -12.748 1.00 3.43 C ATOM 1488 NE ARG A 94 12.355 -4.858 -12.960 1.00 13.00 N ATOM 1489 CZ ARG A 94 12.424 -4.275 -14.124 1.00 44.22 C ATOM 1490 NH1 ARG A 94 12.116 -4.917 -15.206 1.00 64.41 N ATOM 1491 NH2 ARG A 94 12.827 -3.054 -14.206 1.00 64.22 N ATOM 0 H ARG A 94 8.381 -3.934 -10.259 1.00 12.11 H new ATOM 0 HA ARG A 94 9.114 -6.447 -9.482 1.00 61.31 H new ATOM 0 HB2 ARG A 94 9.387 -5.547 -11.758 1.00 40.02 H new ATOM 0 HB3 ARG A 94 10.590 -4.400 -11.204 1.00 40.02 H new ATOM 0 HG2 ARG A 94 12.101 -6.314 -10.612 1.00 41.22 H new ATOM 0 HG3 ARG A 94 10.907 -7.426 -11.251 1.00 41.22 H new ATOM 0 HD2 ARG A 94 12.685 -6.925 -12.910 1.00 3.43 H new ATOM 0 HD3 ARG A 94 11.099 -6.449 -13.485 1.00 3.43 H new ATOM 0 HE ARG A 94 12.660 -4.329 -12.143 1.00 13.00 H new ATOM 0 HH11 ARG A 94 11.815 -5.890 -15.153 1.00 64.41 H new ATOM 0 HH12 ARG A 94 12.174 -4.449 -16.111 1.00 64.41 H new ATOM 0 HH21 ARG A 94 13.091 -2.546 -13.362 1.00 64.22 H new ATOM 0 HH22 ARG A 94 12.882 -2.595 -15.115 1.00 64.22 H new ATOM 1505 N LYS A 95 11.141 -4.268 -8.136 1.00 55.22 N ATOM 1506 CA LYS A 95 12.270 -4.091 -7.214 1.00 72.40 C ATOM 1507 C LYS A 95 11.837 -4.187 -5.734 1.00 33.31 C ATOM 1508 O LYS A 95 12.638 -4.536 -4.868 1.00 62.33 O ATOM 1509 CB LYS A 95 12.944 -2.737 -7.495 1.00 21.04 C ATOM 1510 CG LYS A 95 14.218 -2.481 -6.691 1.00 11.54 C ATOM 1511 CD LYS A 95 14.894 -1.176 -7.114 1.00 22.34 C ATOM 1512 CE LYS A 95 16.198 -0.933 -6.362 1.00 23.14 C ATOM 1513 NZ LYS A 95 15.978 -0.655 -4.919 1.00 13.22 N ATOM 0 H LYS A 95 10.658 -3.403 -8.377 1.00 55.22 H new ATOM 0 HA LYS A 95 12.979 -4.901 -7.385 1.00 72.40 H new ATOM 0 HB2 LYS A 95 13.182 -2.678 -8.557 1.00 21.04 H new ATOM 0 HB3 LYS A 95 12.231 -1.940 -7.284 1.00 21.04 H new ATOM 0 HG2 LYS A 95 13.977 -2.440 -5.629 1.00 11.54 H new ATOM 0 HG3 LYS A 95 14.910 -3.312 -6.829 1.00 11.54 H new ATOM 0 HD2 LYS A 95 15.094 -1.203 -8.185 1.00 22.34 H new ATOM 0 HD3 LYS A 95 14.214 -0.343 -6.937 1.00 22.34 H new ATOM 0 HE2 LYS A 95 16.842 -1.806 -6.467 1.00 23.14 H new ATOM 0 HE3 LYS A 95 16.724 -0.092 -6.815 1.00 23.14 H new ATOM 0 HZ1 LYS A 95 16.895 -0.514 -4.449 1.00 13.22 H new ATOM 0 HZ2 LYS A 95 15.400 0.203 -4.815 1.00 13.22 H new ATOM 0 HZ3 LYS A 95 15.485 -1.460 -4.482 1.00 13.22 H new ATOM 1527 N TYR A 96 10.567 -3.885 -5.447 1.00 24.53 N ATOM 1528 CA TYR A 96 10.068 -3.869 -4.056 1.00 10.51 C ATOM 1529 C TYR A 96 8.807 -4.733 -3.855 1.00 75.40 C ATOM 1530 O TYR A 96 8.154 -4.637 -2.817 1.00 25.45 O ATOM 1531 CB TYR A 96 9.751 -2.426 -3.632 1.00 23.24 C ATOM 1532 CG TYR A 96 10.951 -1.499 -3.653 1.00 21.42 C ATOM 1533 CD1 TYR A 96 11.809 -1.427 -2.562 1.00 14.52 C ATOM 1534 CD2 TYR A 96 11.217 -0.692 -4.754 1.00 24.14 C ATOM 1535 CE1 TYR A 96 12.896 -0.577 -2.566 1.00 52.11 C ATOM 1536 CE2 TYR A 96 12.305 0.157 -4.764 1.00 54.04 C ATOM 1537 CZ TYR A 96 13.138 0.211 -3.666 1.00 44.42 C ATOM 1538 OH TYR A 96 14.215 1.061 -3.674 1.00 63.14 O ATOM 0 H TYR A 96 9.865 -3.649 -6.149 1.00 24.53 H new ATOM 0 HA TYR A 96 10.860 -4.293 -3.439 1.00 10.51 H new ATOM 0 HB2 TYR A 96 8.983 -2.024 -4.293 1.00 23.24 H new ATOM 0 HB3 TYR A 96 9.331 -2.438 -2.626 1.00 23.24 H new ATOM 0 HD1 TYR A 96 11.622 -2.046 -1.697 1.00 14.52 H new ATOM 0 HD2 TYR A 96 10.563 -0.730 -5.613 1.00 24.14 H new ATOM 0 HE1 TYR A 96 13.553 -0.531 -1.710 1.00 52.11 H new ATOM 0 HE2 TYR A 96 12.503 0.776 -5.627 1.00 54.04 H new ATOM 0 HH TYR A 96 14.828 0.819 -2.949 1.00 63.14 H new ATOM 1548 N LYS A 97 8.472 -5.579 -4.825 1.00 4.32 N ATOM 1549 CA LYS A 97 7.235 -6.360 -4.765 1.00 61.03 C ATOM 1550 C LYS A 97 7.245 -7.356 -3.592 1.00 11.25 C ATOM 1551 O LYS A 97 8.160 -8.175 -3.460 1.00 65.12 O ATOM 1552 CB LYS A 97 7.016 -7.096 -6.089 1.00 14.33 C ATOM 1553 CG LYS A 97 5.622 -7.685 -6.234 1.00 63.14 C ATOM 1554 CD LYS A 97 5.452 -8.407 -7.562 1.00 31.22 C ATOM 1555 CE LYS A 97 4.062 -9.029 -7.690 1.00 31.41 C ATOM 1556 NZ LYS A 97 3.747 -9.942 -6.558 1.00 10.22 N ATOM 0 H LYS A 97 9.035 -5.743 -5.659 1.00 4.32 H new ATOM 0 HA LYS A 97 6.410 -5.667 -4.598 1.00 61.03 H new ATOM 0 HB2 LYS A 97 7.197 -6.406 -6.913 1.00 14.33 H new ATOM 0 HB3 LYS A 97 7.751 -7.897 -6.176 1.00 14.33 H new ATOM 0 HG2 LYS A 97 5.433 -8.380 -5.415 1.00 63.14 H new ATOM 0 HG3 LYS A 97 4.881 -6.890 -6.155 1.00 63.14 H new ATOM 0 HD2 LYS A 97 5.615 -7.706 -8.381 1.00 31.22 H new ATOM 0 HD3 LYS A 97 6.209 -9.185 -7.653 1.00 31.22 H new ATOM 0 HE2 LYS A 97 3.314 -8.237 -7.734 1.00 31.41 H new ATOM 0 HE3 LYS A 97 3.998 -9.581 -8.628 1.00 31.41 H new ATOM 0 HZ1 LYS A 97 3.338 -10.824 -6.927 1.00 10.22 H new ATOM 0 HZ2 LYS A 97 4.618 -10.157 -6.033 1.00 10.22 H new ATOM 0 HZ3 LYS A 97 3.064 -9.484 -5.922 1.00 10.22 H new ATOM 1570 N TRP A 98 6.210 -7.281 -2.759 1.00 61.21 N ATOM 1571 CA TRP A 98 6.110 -8.087 -1.538 1.00 52.32 C ATOM 1572 C TRP A 98 6.149 -9.601 -1.816 1.00 41.43 C ATOM 1573 O TRP A 98 5.239 -10.162 -2.432 1.00 40.05 O ATOM 1574 CB TRP A 98 4.821 -7.725 -0.779 1.00 14.33 C ATOM 1575 CG TRP A 98 4.562 -8.573 0.437 1.00 21.34 C ATOM 1576 CD1 TRP A 98 5.485 -9.034 1.332 1.00 71.24 C ATOM 1577 CD2 TRP A 98 3.289 -9.053 0.893 1.00 22.40 C ATOM 1578 NE1 TRP A 98 4.868 -9.766 2.312 1.00 60.44 N ATOM 1579 CE2 TRP A 98 3.521 -9.794 2.067 1.00 61.13 C ATOM 1580 CE3 TRP A 98 1.978 -8.929 0.423 1.00 32.03 C ATOM 1581 CZ2 TRP A 98 2.492 -10.406 2.777 1.00 31.43 C ATOM 1582 CZ3 TRP A 98 0.954 -9.537 1.129 1.00 21.25 C ATOM 1583 CH2 TRP A 98 1.217 -10.268 2.297 1.00 14.31 C ATOM 0 H TRP A 98 5.415 -6.660 -2.909 1.00 61.21 H new ATOM 0 HA TRP A 98 6.983 -7.854 -0.928 1.00 52.32 H new ATOM 0 HB2 TRP A 98 4.873 -6.680 -0.475 1.00 14.33 H new ATOM 0 HB3 TRP A 98 3.974 -7.817 -1.459 1.00 14.33 H new ATOM 0 HD1 TRP A 98 6.547 -8.848 1.275 1.00 71.24 H new ATOM 0 HE1 TRP A 98 5.336 -10.217 3.098 1.00 60.44 H new ATOM 0 HE3 TRP A 98 1.768 -8.368 -0.476 1.00 32.03 H new ATOM 0 HZ2 TRP A 98 2.692 -10.970 3.676 1.00 31.43 H new ATOM 0 HZ3 TRP A 98 -0.062 -9.447 0.775 1.00 21.25 H new ATOM 0 HH2 TRP A 98 0.398 -10.731 2.828 1.00 14.31 H new ATOM 1594 N GLN A 99 7.215 -10.251 -1.351 1.00 33.33 N ATOM 1595 CA GLN A 99 7.326 -11.714 -1.396 1.00 1.13 C ATOM 1596 C GLN A 99 7.171 -12.310 0.016 1.00 51.14 C ATOM 1597 O GLN A 99 8.146 -12.407 0.765 1.00 3.41 O ATOM 1598 CB GLN A 99 8.681 -12.132 -1.987 1.00 14.21 C ATOM 1599 CG GLN A 99 8.888 -11.695 -3.432 1.00 54.52 C ATOM 1600 CD GLN A 99 10.276 -12.035 -3.952 1.00 63.23 C ATOM 1601 OE1 GLN A 99 11.246 -12.057 -3.199 1.00 14.14 O ATOM 1602 NE2 GLN A 99 10.382 -12.306 -5.237 1.00 60.42 N ATOM 0 H GLN A 99 8.022 -9.786 -0.935 1.00 33.33 H new ATOM 0 HA GLN A 99 6.528 -12.096 -2.032 1.00 1.13 H new ATOM 0 HB2 GLN A 99 9.478 -11.712 -1.374 1.00 14.21 H new ATOM 0 HB3 GLN A 99 8.772 -13.217 -1.930 1.00 14.21 H new ATOM 0 HG2 GLN A 99 8.140 -12.174 -4.063 1.00 54.52 H new ATOM 0 HG3 GLN A 99 8.728 -10.619 -3.509 1.00 54.52 H new ATOM 0 HE21 GLN A 99 9.555 -12.278 -5.834 1.00 60.42 H new ATOM 0 HE22 GLN A 99 11.291 -12.543 -5.635 1.00 60.42 H new ATOM 1611 N PRO A 100 5.939 -12.686 0.416 1.00 22.00 N ATOM 1612 CA PRO A 100 5.679 -13.270 1.746 1.00 75.03 C ATOM 1613 C PRO A 100 6.429 -14.594 1.984 1.00 15.31 C ATOM 1614 O PRO A 100 6.852 -14.885 3.107 1.00 31.41 O ATOM 1615 CB PRO A 100 4.157 -13.509 1.748 1.00 64.45 C ATOM 1616 CG PRO A 100 3.767 -13.522 0.307 1.00 72.44 C ATOM 1617 CD PRO A 100 4.703 -12.561 -0.377 1.00 73.11 C ATOM 0 HA PRO A 100 6.025 -12.610 2.541 1.00 75.03 H new ATOM 0 HB2 PRO A 100 3.906 -14.452 2.233 1.00 64.45 H new ATOM 0 HB3 PRO A 100 3.634 -12.722 2.291 1.00 64.45 H new ATOM 0 HG2 PRO A 100 3.857 -14.523 -0.114 1.00 72.44 H new ATOM 0 HG3 PRO A 100 2.729 -13.215 0.180 1.00 72.44 H new ATOM 0 HD2 PRO A 100 4.864 -12.828 -1.421 1.00 73.11 H new ATOM 0 HD3 PRO A 100 4.316 -11.542 -0.365 1.00 73.11 H new