USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 562 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 NoAdj-H: A 64 HIS HD1 : A 64 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 94 HIS HD1 : A 94 HIS ND1 : A 202 ZNZN :(H bumps) USER MOD Set 1.1: A 65 ASN : amide:sc= -0.37 K(o=-0.28,f=-5.9!) USER MOD Set 1.2: A 66 SER OG : rot 180:sc= 0.085 USER MOD Set 2.1: A 40 LYS NZ :NH3+ 166:sc= 0.712 (180deg=-0.076) USER MOD Set 2.2: A 42 THR OG1 : rot 133:sc= 0.638 USER MOD Single : A 38 GLN : amide:sc= 0.148 K(o=0.15,f=-3.8!) USER MOD Single : A 47 GLN : amide:sc= -0.535 K(o=-0.54,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= -0.0286 (180deg=-0.31) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0185 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.0165 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.304 X(o=-0.3,f=-0.25) USER MOD Single : A 74 HIS : no HD1:sc=-0.000632 X(o=-0.00063,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -168:sc= -0.0505 (180deg=-0.27) USER MOD Single : A 78 SER OG : rot -45:sc= 1.43 USER MOD Single : A 81 SER OG : rot 44:sc= 0.0862 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.307 USER MOD Single : A 86 HIS : no HD1:sc= -0.708 K(o=-0.71,f=-0.037) USER MOD Single : A 90 TYR OH : rot 130:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -135:sc= 2.45 (180deg=0.149) USER MOD Single : A 96 GLN : amide:sc= -3.38! C(o=-3.4!,f=-6.6!) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot -135:sc= 0.922 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.462 X(o=-0.46,f=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 36 -28.078 -2.936 5.669 1.00 8.49 N ATOM 2 CA ARG A 36 -28.283 -1.522 5.918 1.00 8.09 C ATOM 3 C ARG A 36 -26.969 -0.786 5.792 1.00 7.16 C ATOM 4 O ARG A 36 -26.006 -1.124 6.484 1.00 7.20 O ATOM 5 CB ARG A 36 -28.854 -1.301 7.316 1.00 8.73 C ATOM 6 CG ARG A 36 -29.111 0.156 7.659 1.00 9.34 C ATOM 7 CD ARG A 36 -29.580 0.310 9.088 1.00 9.76 C ATOM 8 NE ARG A 36 -29.798 1.713 9.451 1.00 10.25 N ATOM 9 CZ ARG A 36 -29.644 2.218 10.686 1.00 10.86 C ATOM 10 NH1 ARG A 36 -29.164 1.458 11.670 1.00 11.04 N ATOM 11 NH2 ARG A 36 -29.921 3.490 10.920 1.00 11.43 N ATOM 0 HA ARG A 36 -28.991 -1.140 5.183 1.00 8.09 H new ATOM 0 HB2 ARG A 36 -29.789 -1.854 7.406 1.00 8.73 H new ATOM 0 HB3 ARG A 36 -28.164 -1.719 8.049 1.00 8.73 H new ATOM 0 HG2 ARG A 36 -28.199 0.733 7.509 1.00 9.34 H new ATOM 0 HG3 ARG A 36 -29.861 0.564 6.982 1.00 9.34 H new ATOM 0 HD2 ARG A 36 -30.506 -0.248 9.227 1.00 9.76 H new ATOM 0 HD3 ARG A 36 -28.841 -0.127 9.760 1.00 9.76 H new ATOM 0 HE ARG A 36 -30.088 2.353 8.712 1.00 10.25 H new ATOM 0 HH11 ARG A 36 -28.911 0.487 11.487 1.00 11.04 H new ATOM 0 HH12 ARG A 36 -29.049 1.848 12.606 1.00 11.04 H new ATOM 0 HH21 ARG A 36 -30.252 4.088 10.162 1.00 11.43 H new ATOM 0 HH22 ARG A 36 -29.804 3.873 11.858 1.00 11.43 H new ATOM 27 N ALA A 37 -26.945 0.189 4.888 1.00 6.54 N ATOM 28 CA ALA A 37 -25.831 1.102 4.664 1.00 5.87 C ATOM 29 C ALA A 37 -24.548 0.413 4.211 1.00 4.78 C ATOM 30 O ALA A 37 -23.889 -0.322 4.970 1.00 4.82 O ATOM 31 CB ALA A 37 -25.595 2.006 5.874 1.00 6.41 C ATOM 0 H ALA A 37 -27.733 0.371 4.267 1.00 6.54 H new ATOM 0 HA ALA A 37 -26.130 1.731 3.826 1.00 5.87 H new ATOM 0 HB1 ALA A 37 -24.757 2.673 5.672 1.00 6.41 H new ATOM 0 HB2 ALA A 37 -26.491 2.596 6.067 1.00 6.41 H new ATOM 0 HB3 ALA A 37 -25.368 1.394 6.747 1.00 6.41 H new ATOM 37 N GLN A 38 -24.214 0.628 2.969 1.00 4.17 N ATOM 38 CA GLN A 38 -22.985 0.136 2.401 1.00 3.41 C ATOM 39 C GLN A 38 -21.824 0.857 3.065 1.00 2.53 C ATOM 40 O GLN A 38 -21.866 2.090 3.252 1.00 2.77 O ATOM 41 CB GLN A 38 -22.949 0.349 0.872 1.00 4.03 C ATOM 42 CG GLN A 38 -23.952 -0.487 0.051 1.00 4.53 C ATOM 43 CD GLN A 38 -25.413 -0.160 0.329 1.00 4.94 C ATOM 44 OE1 GLN A 38 -25.760 0.972 0.687 1.00 4.96 O ATOM 45 NE2 GLN A 38 -26.269 -1.121 0.159 1.00 5.66 N ATOM 0 H GLN A 38 -24.792 1.155 2.314 1.00 4.17 H new ATOM 0 HA GLN A 38 -22.911 -0.937 2.580 1.00 3.41 H new ATOM 0 HB2 GLN A 38 -23.132 1.404 0.667 1.00 4.03 H new ATOM 0 HB3 GLN A 38 -21.943 0.125 0.517 1.00 4.03 H new ATOM 0 HG2 GLN A 38 -23.753 -0.334 -1.010 1.00 4.53 H new ATOM 0 HG3 GLN A 38 -23.782 -1.544 0.258 1.00 4.53 H new ATOM 0 HE21 GLN A 38 -25.949 -2.043 -0.137 1.00 5.66 H new ATOM 0 HE22 GLN A 38 -27.262 -0.954 0.321 1.00 5.66 H new ATOM 54 N VAL A 39 -20.824 0.110 3.457 1.00 2.13 N ATOM 55 CA VAL A 39 -19.688 0.673 4.157 1.00 1.81 C ATOM 56 C VAL A 39 -18.810 1.512 3.238 1.00 1.43 C ATOM 57 O VAL A 39 -18.399 1.068 2.157 1.00 2.28 O ATOM 58 CB VAL A 39 -18.843 -0.397 4.924 1.00 2.82 C ATOM 59 CG1 VAL A 39 -19.668 -1.027 6.037 1.00 3.61 C ATOM 60 CG2 VAL A 39 -18.314 -1.483 3.988 1.00 3.61 C ATOM 0 H VAL A 39 -20.770 -0.897 3.304 1.00 2.13 H new ATOM 0 HA VAL A 39 -20.109 1.335 4.914 1.00 1.81 H new ATOM 0 HB VAL A 39 -17.985 0.117 5.357 1.00 2.82 H new ATOM 0 HG11 VAL A 39 -19.066 -1.769 6.561 1.00 3.61 H new ATOM 0 HG12 VAL A 39 -19.983 -0.254 6.738 1.00 3.61 H new ATOM 0 HG13 VAL A 39 -20.547 -1.509 5.610 1.00 3.61 H new ATOM 0 HG21 VAL A 39 -17.733 -2.206 4.561 1.00 3.61 H new ATOM 0 HG22 VAL A 39 -19.152 -1.990 3.508 1.00 3.61 H new ATOM 0 HG23 VAL A 39 -17.680 -1.030 3.226 1.00 3.61 H new ATOM 70 N LYS A 40 -18.543 2.719 3.657 1.00 0.73 N ATOM 71 CA LYS A 40 -17.728 3.614 2.893 1.00 0.83 C ATOM 72 C LYS A 40 -16.289 3.439 3.284 1.00 0.55 C ATOM 73 O LYS A 40 -15.733 4.182 4.119 1.00 0.71 O ATOM 74 CB LYS A 40 -18.168 5.097 3.007 1.00 1.56 C ATOM 75 CG LYS A 40 -17.170 6.074 2.356 1.00 1.93 C ATOM 76 CD LYS A 40 -17.618 7.517 2.422 1.00 2.54 C ATOM 77 CE LYS A 40 -16.442 8.470 2.170 1.00 3.45 C ATOM 78 NZ LYS A 40 -15.686 8.162 0.932 1.00 3.90 N ATOM 0 H LYS A 40 -18.885 3.106 4.536 1.00 0.73 H new ATOM 0 HA LYS A 40 -17.856 3.354 1.842 1.00 0.83 H new ATOM 0 HB2 LYS A 40 -19.144 5.217 2.538 1.00 1.56 H new ATOM 0 HB3 LYS A 40 -18.286 5.355 4.059 1.00 1.56 H new ATOM 0 HG2 LYS A 40 -16.203 5.978 2.850 1.00 1.93 H new ATOM 0 HG3 LYS A 40 -17.025 5.793 1.313 1.00 1.93 H new ATOM 0 HD2 LYS A 40 -18.399 7.693 1.682 1.00 2.54 H new ATOM 0 HD3 LYS A 40 -18.054 7.722 3.400 1.00 2.54 H new ATOM 0 HE2 LYS A 40 -16.818 9.491 2.112 1.00 3.45 H new ATOM 0 HE3 LYS A 40 -15.762 8.429 3.021 1.00 3.45 H new ATOM 0 HZ1 LYS A 40 -15.068 8.964 0.694 1.00 3.90 H new ATOM 0 HZ2 LYS A 40 -15.107 7.311 1.081 1.00 3.90 H new ATOM 0 HZ3 LYS A 40 -16.352 7.995 0.151 1.00 3.90 H new ATOM 92 N GLU A 41 -15.719 2.422 2.771 1.00 0.35 N ATOM 93 CA GLU A 41 -14.337 2.218 2.933 1.00 0.17 C ATOM 94 C GLU A 41 -13.733 2.792 1.725 1.00 0.12 C ATOM 95 O GLU A 41 -14.133 2.454 0.614 1.00 0.15 O ATOM 96 CB GLU A 41 -14.022 0.753 2.968 1.00 0.50 C ATOM 97 CG GLU A 41 -14.752 -0.013 4.025 1.00 0.23 C ATOM 98 CD GLU A 41 -14.385 0.379 5.439 1.00 0.75 C ATOM 99 OE1 GLU A 41 -13.419 -0.186 5.996 1.00 1.27 O ATOM 100 OE2 GLU A 41 -15.065 1.225 6.029 1.00 1.13 O ATOM 0 H GLU A 41 -16.198 1.705 2.226 1.00 0.35 H new ATOM 0 HA GLU A 41 -13.972 2.664 3.858 1.00 0.17 H new ATOM 0 HB2 GLU A 41 -14.257 0.320 1.996 1.00 0.50 H new ATOM 0 HB3 GLU A 41 -12.950 0.628 3.122 1.00 0.50 H new ATOM 0 HG2 GLU A 41 -15.824 0.130 3.887 1.00 0.23 H new ATOM 0 HG3 GLU A 41 -14.552 -1.076 3.891 1.00 0.23 H new ATOM 107 N THR A 42 -12.806 3.611 1.883 1.00 0.11 N ATOM 108 CA THR A 42 -12.233 4.208 0.744 1.00 0.10 C ATOM 109 C THR A 42 -10.759 3.910 0.754 1.00 0.09 C ATOM 110 O THR A 42 -10.110 3.949 1.802 1.00 0.11 O ATOM 111 CB THR A 42 -12.479 5.720 0.684 1.00 0.13 C ATOM 112 OG1 THR A 42 -13.685 6.045 1.430 1.00 0.15 O ATOM 113 CG2 THR A 42 -12.715 6.117 -0.770 1.00 0.14 C ATOM 0 H THR A 42 -12.414 3.897 2.780 1.00 0.11 H new ATOM 0 HA THR A 42 -12.706 3.791 -0.145 1.00 0.10 H new ATOM 0 HB THR A 42 -11.620 6.244 1.103 1.00 0.13 H new ATOM 0 HG1 THR A 42 -13.510 6.808 2.019 1.00 0.15 H new ATOM 0 HG21 THR A 42 -12.892 7.191 -0.830 1.00 0.14 H new ATOM 0 HG22 THR A 42 -11.838 5.860 -1.364 1.00 0.14 H new ATOM 0 HG23 THR A 42 -13.584 5.584 -1.156 1.00 0.14 H new ATOM 121 N CYS A 43 -10.252 3.632 -0.388 1.00 0.07 N ATOM 122 CA CYS A 43 -8.924 3.170 -0.559 1.00 0.06 C ATOM 123 C CYS A 43 -7.944 4.316 -0.541 1.00 0.09 C ATOM 124 O CYS A 43 -8.290 5.419 -0.877 1.00 0.11 O ATOM 125 CB CYS A 43 -8.900 2.366 -1.846 1.00 0.06 C ATOM 126 SG CYS A 43 -7.368 2.241 -2.760 1.00 0.08 S ATOM 0 H CYS A 43 -10.768 3.723 -1.263 1.00 0.07 H new ATOM 0 HA CYS A 43 -8.611 2.529 0.265 1.00 0.06 H new ATOM 0 HB2 CYS A 43 -9.225 1.353 -1.608 1.00 0.06 H new ATOM 0 HB3 CYS A 43 -9.648 2.792 -2.514 1.00 0.06 H new ATOM 131 N ALA A 44 -6.749 4.061 -0.077 1.00 0.09 N ATOM 132 CA ALA A 44 -5.717 5.076 -0.039 1.00 0.12 C ATOM 133 C ALA A 44 -4.672 4.860 -1.123 1.00 0.12 C ATOM 134 O ALA A 44 -3.849 5.718 -1.380 1.00 0.14 O ATOM 135 CB ALA A 44 -5.063 5.092 1.315 1.00 0.13 C ATOM 0 H ALA A 44 -6.460 3.152 0.284 1.00 0.09 H new ATOM 0 HA ALA A 44 -6.191 6.040 -0.226 1.00 0.12 H new ATOM 0 HB1 ALA A 44 -4.288 5.858 1.336 1.00 0.13 H new ATOM 0 HB2 ALA A 44 -5.810 5.311 2.077 1.00 0.13 H new ATOM 0 HB3 ALA A 44 -4.616 4.118 1.515 1.00 0.13 H new ATOM 141 N ALA A 45 -4.720 3.721 -1.783 1.00 0.11 N ATOM 142 CA ALA A 45 -3.706 3.412 -2.775 1.00 0.12 C ATOM 143 C ALA A 45 -4.136 3.826 -4.180 1.00 0.13 C ATOM 144 O ALA A 45 -3.309 4.139 -5.023 1.00 0.14 O ATOM 145 CB ALA A 45 -3.338 1.950 -2.707 1.00 0.12 C ATOM 0 H ALA A 45 -5.435 3.005 -1.656 1.00 0.11 H new ATOM 0 HA ALA A 45 -2.816 3.998 -2.543 1.00 0.12 H new ATOM 0 HB1 ALA A 45 -2.577 1.731 -3.456 1.00 0.12 H new ATOM 0 HB2 ALA A 45 -2.949 1.719 -1.716 1.00 0.12 H new ATOM 0 HB3 ALA A 45 -4.222 1.343 -2.900 1.00 0.12 H new ATOM 151 N CYS A 46 -5.424 3.818 -4.412 1.00 0.12 N ATOM 152 CA CYS A 46 -5.991 4.275 -5.675 1.00 0.13 C ATOM 153 C CYS A 46 -7.169 5.215 -5.407 1.00 0.13 C ATOM 154 O CYS A 46 -7.782 5.770 -6.318 1.00 0.14 O ATOM 155 CB CYS A 46 -6.358 3.079 -6.581 1.00 0.12 C ATOM 156 SG CYS A 46 -7.950 2.271 -6.295 1.00 0.11 S ATOM 0 H CYS A 46 -6.117 3.496 -3.737 1.00 0.12 H new ATOM 0 HA CYS A 46 -5.244 4.847 -6.225 1.00 0.13 H new ATOM 0 HB2 CYS A 46 -6.336 3.422 -7.615 1.00 0.12 H new ATOM 0 HB3 CYS A 46 -5.576 2.327 -6.478 1.00 0.12 H new ATOM 161 N GLN A 47 -7.431 5.399 -4.110 1.00 0.12 N ATOM 162 CA GLN A 47 -8.468 6.259 -3.576 1.00 0.13 C ATOM 163 C GLN A 47 -9.858 6.079 -4.166 1.00 0.12 C ATOM 164 O GLN A 47 -10.538 7.026 -4.491 1.00 0.14 O ATOM 165 CB GLN A 47 -8.009 7.691 -3.480 1.00 0.15 C ATOM 166 CG GLN A 47 -6.834 7.822 -2.516 1.00 0.15 C ATOM 167 CD GLN A 47 -6.220 9.198 -2.439 1.00 0.19 C ATOM 168 OE1 GLN A 47 -5.027 9.343 -2.165 1.00 1.04 O ATOM 169 NE2 GLN A 47 -7.001 10.210 -2.668 1.00 1.17 N ATOM 0 H GLN A 47 -6.898 4.928 -3.379 1.00 0.12 H new ATOM 0 HA GLN A 47 -8.624 5.908 -2.556 1.00 0.13 H new ATOM 0 HB2 GLN A 47 -7.717 8.050 -4.467 1.00 0.15 H new ATOM 0 HB3 GLN A 47 -8.833 8.320 -3.143 1.00 0.15 H new ATOM 0 HG2 GLN A 47 -7.168 7.534 -1.519 1.00 0.15 H new ATOM 0 HG3 GLN A 47 -6.061 7.112 -2.811 1.00 0.15 H new ATOM 0 HE21 GLN A 47 -7.984 10.055 -2.892 1.00 1.17 H new ATOM 0 HE22 GLN A 47 -6.631 11.160 -2.624 1.00 1.17 H new ATOM 178 N LYS A 48 -10.249 4.844 -4.297 1.00 0.11 N ATOM 179 CA LYS A 48 -11.559 4.453 -4.786 1.00 0.11 C ATOM 180 C LYS A 48 -12.242 3.677 -3.697 1.00 0.09 C ATOM 181 O LYS A 48 -11.567 3.114 -2.849 1.00 0.07 O ATOM 182 CB LYS A 48 -11.407 3.591 -6.031 1.00 0.12 C ATOM 183 CG LYS A 48 -10.667 4.293 -7.163 1.00 0.14 C ATOM 184 CD LYS A 48 -11.385 5.557 -7.627 1.00 0.17 C ATOM 185 CE LYS A 48 -12.661 5.239 -8.389 1.00 0.21 C ATOM 186 NZ LYS A 48 -12.366 4.583 -9.669 1.00 1.20 N ATOM 0 H LYS A 48 -9.654 4.050 -4.062 1.00 0.11 H new ATOM 0 HA LYS A 48 -12.149 5.331 -5.049 1.00 0.11 H new ATOM 0 HB2 LYS A 48 -10.873 2.677 -5.769 1.00 0.12 H new ATOM 0 HB3 LYS A 48 -12.395 3.294 -6.382 1.00 0.12 H new ATOM 0 HG2 LYS A 48 -9.661 4.550 -6.832 1.00 0.14 H new ATOM 0 HG3 LYS A 48 -10.561 3.608 -8.004 1.00 0.14 H new ATOM 0 HD2 LYS A 48 -11.624 6.177 -6.763 1.00 0.17 H new ATOM 0 HD3 LYS A 48 -10.719 6.140 -8.263 1.00 0.17 H new ATOM 0 HE2 LYS A 48 -13.297 4.593 -7.784 1.00 0.21 H new ATOM 0 HE3 LYS A 48 -13.219 6.158 -8.568 1.00 0.21 H new ATOM 0 HZ1 LYS A 48 -13.195 4.651 -10.293 1.00 1.20 H new ATOM 0 HZ2 LYS A 48 -11.554 5.051 -10.120 1.00 1.20 H new ATOM 0 HZ3 LYS A 48 -12.140 3.582 -9.502 1.00 1.20 H new ATOM 200 N THR A 49 -13.546 3.705 -3.662 1.00 0.11 N ATOM 201 CA THR A 49 -14.281 2.994 -2.653 1.00 0.10 C ATOM 202 C THR A 49 -14.044 1.483 -2.768 1.00 0.09 C ATOM 203 O THR A 49 -14.141 0.900 -3.871 1.00 0.10 O ATOM 204 CB THR A 49 -15.751 3.299 -2.765 1.00 0.13 C ATOM 205 OG1 THR A 49 -15.911 4.693 -3.111 1.00 0.14 O ATOM 206 CG2 THR A 49 -16.419 3.044 -1.435 1.00 0.14 C ATOM 0 H THR A 49 -14.125 4.217 -4.327 1.00 0.11 H new ATOM 0 HA THR A 49 -13.925 3.324 -1.677 1.00 0.10 H new ATOM 0 HB THR A 49 -16.203 2.666 -3.529 1.00 0.13 H new ATOM 0 HG1 THR A 49 -16.865 4.903 -3.189 1.00 0.14 H new ATOM 0 HG21 THR A 49 -17.484 3.264 -1.514 1.00 0.14 H new ATOM 0 HG22 THR A 49 -16.285 1.999 -1.155 1.00 0.14 H new ATOM 0 HG23 THR A 49 -15.972 3.684 -0.675 1.00 0.14 H new ATOM 214 N VAL A 50 -13.705 0.875 -1.652 1.00 0.07 N ATOM 215 CA VAL A 50 -13.371 -0.525 -1.601 1.00 0.07 C ATOM 216 C VAL A 50 -14.600 -1.306 -1.237 1.00 0.08 C ATOM 217 O VAL A 50 -15.400 -0.876 -0.394 1.00 0.08 O ATOM 218 CB VAL A 50 -12.273 -0.839 -0.551 1.00 0.06 C ATOM 219 CG1 VAL A 50 -11.408 -1.955 -1.054 1.00 0.06 C ATOM 220 CG2 VAL A 50 -11.449 0.384 -0.231 1.00 0.06 C ATOM 0 H VAL A 50 -13.654 1.346 -0.749 1.00 0.07 H new ATOM 0 HA VAL A 50 -12.990 -0.802 -2.584 1.00 0.07 H new ATOM 0 HB VAL A 50 -12.754 -1.150 0.376 1.00 0.06 H new ATOM 0 HG11 VAL A 50 -10.636 -2.177 -0.317 1.00 0.06 H new ATOM 0 HG12 VAL A 50 -12.019 -2.843 -1.219 1.00 0.06 H new ATOM 0 HG13 VAL A 50 -10.940 -1.658 -1.992 1.00 0.06 H new ATOM 0 HG21 VAL A 50 -10.690 0.128 0.508 1.00 0.06 H new ATOM 0 HG22 VAL A 50 -10.965 0.745 -1.139 1.00 0.06 H new ATOM 0 HG23 VAL A 50 -12.096 1.164 0.170 1.00 0.06 H new ATOM 230 N TYR A 51 -14.765 -2.428 -1.852 1.00 0.09 N ATOM 231 CA TYR A 51 -15.912 -3.245 -1.612 1.00 0.11 C ATOM 232 C TYR A 51 -15.442 -4.491 -0.867 1.00 0.10 C ATOM 233 O TYR A 51 -14.266 -4.827 -0.988 1.00 0.10 O ATOM 234 CB TYR A 51 -16.595 -3.566 -2.952 1.00 0.14 C ATOM 235 CG TYR A 51 -16.841 -2.335 -3.803 1.00 0.23 C ATOM 236 CD1 TYR A 51 -17.484 -1.238 -3.276 1.00 0.21 C ATOM 237 CD2 TYR A 51 -16.411 -2.272 -5.120 1.00 0.43 C ATOM 238 CE1 TYR A 51 -17.699 -0.100 -4.020 1.00 0.32 C ATOM 239 CE2 TYR A 51 -16.625 -1.140 -5.881 1.00 0.57 C ATOM 240 CZ TYR A 51 -17.267 -0.054 -5.322 1.00 0.50 C ATOM 241 OH TYR A 51 -17.473 1.083 -6.069 1.00 0.64 O ATOM 0 H TYR A 51 -14.110 -2.807 -2.536 1.00 0.09 H new ATOM 0 HA TYR A 51 -16.656 -2.739 -0.997 1.00 0.11 H new ATOM 0 HB2 TYR A 51 -15.976 -4.268 -3.510 1.00 0.14 H new ATOM 0 HB3 TYR A 51 -17.546 -4.063 -2.759 1.00 0.14 H new ATOM 0 HD1 TYR A 51 -17.829 -1.271 -2.253 1.00 0.21 H new ATOM 0 HD2 TYR A 51 -15.902 -3.119 -5.556 1.00 0.43 H new ATOM 0 HE1 TYR A 51 -18.203 0.749 -3.583 1.00 0.32 H new ATOM 0 HE2 TYR A 51 -16.292 -1.105 -6.908 1.00 0.57 H new ATOM 0 HH TYR A 51 -17.107 0.954 -6.969 1.00 0.64 H new ATOM 251 N PRO A 52 -16.314 -5.187 -0.098 1.00 0.11 N ATOM 252 CA PRO A 52 -15.912 -6.287 0.830 1.00 0.12 C ATOM 253 C PRO A 52 -14.950 -7.343 0.254 1.00 0.15 C ATOM 254 O PRO A 52 -14.085 -7.862 0.979 1.00 0.16 O ATOM 255 CB PRO A 52 -17.230 -6.928 1.203 1.00 0.14 C ATOM 256 CG PRO A 52 -18.224 -5.824 1.102 1.00 0.14 C ATOM 257 CD PRO A 52 -17.778 -4.964 -0.048 1.00 0.13 C ATOM 0 HA PRO A 52 -15.340 -5.873 1.660 1.00 0.12 H new ATOM 0 HB2 PRO A 52 -17.478 -7.748 0.529 1.00 0.14 H new ATOM 0 HB3 PRO A 52 -17.199 -7.343 2.211 1.00 0.14 H new ATOM 0 HG2 PRO A 52 -19.226 -6.217 0.929 1.00 0.14 H new ATOM 0 HG3 PRO A 52 -18.262 -5.248 2.027 1.00 0.14 H new ATOM 0 HD2 PRO A 52 -18.261 -5.258 -0.980 1.00 0.13 H new ATOM 0 HD3 PRO A 52 -18.019 -3.914 0.119 1.00 0.13 H new ATOM 265 N MET A 53 -15.077 -7.640 -1.024 1.00 0.17 N ATOM 266 CA MET A 53 -14.214 -8.621 -1.681 1.00 0.21 C ATOM 267 C MET A 53 -12.777 -8.106 -1.840 1.00 0.17 C ATOM 268 O MET A 53 -11.821 -8.865 -1.715 1.00 0.19 O ATOM 269 CB MET A 53 -14.782 -8.972 -3.043 1.00 0.27 C ATOM 270 CG MET A 53 -13.988 -10.010 -3.805 1.00 0.35 C ATOM 271 SD MET A 53 -14.642 -10.272 -5.465 1.00 0.46 S ATOM 272 CE MET A 53 -13.479 -11.475 -6.101 1.00 1.58 C ATOM 0 H MET A 53 -15.773 -7.216 -1.638 1.00 0.17 H new ATOM 0 HA MET A 53 -14.182 -9.508 -1.049 1.00 0.21 H new ATOM 0 HB2 MET A 53 -15.802 -9.335 -2.915 1.00 0.27 H new ATOM 0 HB3 MET A 53 -14.840 -8.064 -3.644 1.00 0.27 H new ATOM 0 HG2 MET A 53 -12.947 -9.694 -3.871 1.00 0.35 H new ATOM 0 HG3 MET A 53 -14.002 -10.952 -3.257 1.00 0.35 H new ATOM 0 HE1 MET A 53 -13.751 -11.739 -7.123 1.00 1.58 H new ATOM 0 HE2 MET A 53 -12.475 -11.051 -6.090 1.00 1.58 H new ATOM 0 HE3 MET A 53 -13.502 -12.369 -5.477 1.00 1.58 H new ATOM 282 N GLU A 54 -12.630 -6.821 -2.086 1.00 0.14 N ATOM 283 CA GLU A 54 -11.326 -6.250 -2.354 1.00 0.12 C ATOM 284 C GLU A 54 -10.768 -5.553 -1.135 1.00 0.09 C ATOM 285 O GLU A 54 -9.575 -5.289 -1.066 1.00 0.08 O ATOM 286 CB GLU A 54 -11.419 -5.250 -3.496 1.00 0.12 C ATOM 287 CG GLU A 54 -11.931 -5.834 -4.788 1.00 0.16 C ATOM 288 CD GLU A 54 -11.836 -4.858 -5.933 1.00 0.19 C ATOM 289 OE1 GLU A 54 -10.775 -4.798 -6.592 1.00 0.19 O ATOM 290 OE2 GLU A 54 -12.819 -4.150 -6.217 1.00 0.26 O ATOM 0 H GLU A 54 -13.399 -6.151 -2.106 1.00 0.14 H new ATOM 0 HA GLU A 54 -10.658 -7.067 -2.626 1.00 0.12 H new ATOM 0 HB2 GLU A 54 -12.074 -4.432 -3.195 1.00 0.12 H new ATOM 0 HB3 GLU A 54 -10.432 -4.821 -3.670 1.00 0.12 H new ATOM 0 HG2 GLU A 54 -11.361 -6.731 -5.030 1.00 0.16 H new ATOM 0 HG3 GLU A 54 -12.969 -6.141 -4.660 1.00 0.16 H new ATOM 297 N ARG A 55 -11.642 -5.255 -0.186 1.00 0.09 N ATOM 298 CA ARG A 55 -11.276 -4.532 1.015 1.00 0.08 C ATOM 299 C ARG A 55 -10.314 -5.289 1.901 1.00 0.08 C ATOM 300 O ARG A 55 -10.651 -6.281 2.569 1.00 0.10 O ATOM 301 CB ARG A 55 -12.502 -4.016 1.766 1.00 0.10 C ATOM 302 CG ARG A 55 -12.249 -3.518 3.158 1.00 0.16 C ATOM 303 CD ARG A 55 -13.538 -3.458 3.920 1.00 0.29 C ATOM 304 NE ARG A 55 -13.394 -2.800 5.207 1.00 0.45 N ATOM 305 CZ ARG A 55 -13.626 -3.347 6.387 1.00 0.81 C ATOM 306 NH1 ARG A 55 -13.822 -4.656 6.513 1.00 1.29 N ATOM 307 NH2 ARG A 55 -13.626 -2.574 7.443 1.00 0.89 N ATOM 0 H ARG A 55 -12.629 -5.510 -0.231 1.00 0.09 H new ATOM 0 HA ARG A 55 -10.721 -3.654 0.685 1.00 0.08 H new ATOM 0 HB2 ARG A 55 -12.947 -3.208 1.186 1.00 0.10 H new ATOM 0 HB3 ARG A 55 -13.239 -4.817 1.815 1.00 0.10 H new ATOM 0 HG2 ARG A 55 -11.546 -4.177 3.667 1.00 0.16 H new ATOM 0 HG3 ARG A 55 -11.791 -2.530 3.122 1.00 0.16 H new ATOM 0 HD2 ARG A 55 -14.283 -2.928 3.326 1.00 0.29 H new ATOM 0 HD3 ARG A 55 -13.913 -4.470 4.073 1.00 0.29 H new ATOM 0 HE ARG A 55 -13.086 -1.828 5.199 1.00 0.45 H new ATOM 0 HH11 ARG A 55 -13.795 -5.257 5.690 1.00 1.29 H new ATOM 0 HH12 ARG A 55 -14.000 -5.059 7.433 1.00 1.29 H new ATOM 0 HH21 ARG A 55 -13.450 -1.574 7.343 1.00 0.89 H new ATOM 0 HH22 ARG A 55 -13.802 -2.971 8.366 1.00 0.89 H new ATOM 321 N LEU A 56 -9.131 -4.846 1.821 1.00 0.08 N ATOM 322 CA LEU A 56 -8.016 -5.290 2.571 1.00 0.09 C ATOM 323 C LEU A 56 -7.547 -4.121 3.422 1.00 0.10 C ATOM 324 O LEU A 56 -7.937 -2.979 3.178 1.00 0.11 O ATOM 325 CB LEU A 56 -6.932 -5.767 1.560 1.00 0.11 C ATOM 326 CG LEU A 56 -5.504 -6.052 2.057 1.00 0.10 C ATOM 327 CD1 LEU A 56 -4.848 -7.001 1.111 1.00 0.11 C ATOM 328 CD2 LEU A 56 -4.672 -4.776 2.060 1.00 0.14 C ATOM 0 H LEU A 56 -8.885 -4.096 1.174 1.00 0.08 H new ATOM 0 HA LEU A 56 -8.248 -6.122 3.235 1.00 0.09 H new ATOM 0 HB2 LEU A 56 -7.302 -6.678 1.090 1.00 0.11 H new ATOM 0 HB3 LEU A 56 -6.861 -5.012 0.777 1.00 0.11 H new ATOM 0 HG LEU A 56 -5.565 -6.461 3.066 1.00 0.10 H new ATOM 0 HD11 LEU A 56 -3.834 -7.212 1.452 1.00 0.11 H new ATOM 0 HD12 LEU A 56 -5.418 -7.929 1.073 1.00 0.11 H new ATOM 0 HD13 LEU A 56 -4.811 -6.556 0.116 1.00 0.11 H new ATOM 0 HD21 LEU A 56 -3.666 -4.999 2.415 1.00 0.14 H new ATOM 0 HD22 LEU A 56 -4.620 -4.373 1.048 1.00 0.14 H new ATOM 0 HD23 LEU A 56 -5.135 -4.041 2.719 1.00 0.14 H new ATOM 340 N VAL A 57 -6.779 -4.391 4.418 1.00 0.12 N ATOM 341 CA VAL A 57 -6.205 -3.353 5.209 1.00 0.14 C ATOM 342 C VAL A 57 -4.704 -3.585 5.404 1.00 0.16 C ATOM 343 O VAL A 57 -4.283 -4.610 5.949 1.00 0.21 O ATOM 344 CB VAL A 57 -6.953 -3.160 6.573 1.00 0.17 C ATOM 345 CG1 VAL A 57 -7.082 -4.462 7.348 1.00 0.17 C ATOM 346 CG2 VAL A 57 -6.272 -2.095 7.418 1.00 0.22 C ATOM 0 H VAL A 57 -6.529 -5.336 4.710 1.00 0.12 H new ATOM 0 HA VAL A 57 -6.329 -2.418 4.662 1.00 0.14 H new ATOM 0 HB VAL A 57 -7.963 -2.825 6.338 1.00 0.17 H new ATOM 0 HG11 VAL A 57 -7.607 -4.277 8.285 1.00 0.17 H new ATOM 0 HG12 VAL A 57 -7.642 -5.185 6.755 1.00 0.17 H new ATOM 0 HG13 VAL A 57 -6.089 -4.859 7.560 1.00 0.17 H new ATOM 0 HG21 VAL A 57 -6.809 -1.979 8.359 1.00 0.22 H new ATOM 0 HG22 VAL A 57 -5.244 -2.394 7.621 1.00 0.22 H new ATOM 0 HG23 VAL A 57 -6.274 -1.147 6.880 1.00 0.22 H new ATOM 356 N ALA A 58 -3.897 -2.675 4.900 1.00 0.15 N ATOM 357 CA ALA A 58 -2.468 -2.766 5.144 1.00 0.18 C ATOM 358 C ALA A 58 -2.174 -1.714 6.187 1.00 0.22 C ATOM 359 O ALA A 58 -2.598 -0.608 6.012 1.00 0.23 O ATOM 360 CB ALA A 58 -1.664 -2.520 3.835 1.00 0.19 C ATOM 0 H ALA A 58 -4.193 -1.881 4.332 1.00 0.15 H new ATOM 0 HA ALA A 58 -2.174 -3.757 5.489 1.00 0.18 H new ATOM 0 HB1 ALA A 58 -0.597 -2.593 4.044 1.00 0.19 H new ATOM 0 HB2 ALA A 58 -1.941 -3.268 3.092 1.00 0.19 H new ATOM 0 HB3 ALA A 58 -1.891 -1.526 3.450 1.00 0.19 H new ATOM 366 N ASP A 59 -1.373 -2.065 7.208 1.00 0.29 N ATOM 367 CA ASP A 59 -1.125 -1.284 8.467 1.00 0.37 C ATOM 368 C ASP A 59 -2.434 -0.871 9.123 1.00 0.53 C ATOM 369 O ASP A 59 -2.831 -1.437 10.150 1.00 1.24 O ATOM 370 CB ASP A 59 -0.112 -0.086 8.389 1.00 0.33 C ATOM 371 CG ASP A 59 -0.192 0.847 7.221 1.00 0.29 C ATOM 372 OD1 ASP A 59 -1.058 1.759 7.241 1.00 0.40 O ATOM 373 OD2 ASP A 59 0.647 0.721 6.288 1.00 0.36 O ATOM 0 H ASP A 59 -0.849 -2.940 7.193 1.00 0.29 H new ATOM 0 HA ASP A 59 -0.597 -1.997 9.100 1.00 0.37 H new ATOM 0 HB2 ASP A 59 -0.232 0.508 9.295 1.00 0.33 H new ATOM 0 HB3 ASP A 59 0.895 -0.502 8.411 1.00 0.33 H new ATOM 378 N LYS A 60 -3.101 0.060 8.508 1.00 0.32 N ATOM 379 CA LYS A 60 -4.401 0.529 8.911 1.00 0.28 C ATOM 380 C LYS A 60 -5.080 1.346 7.775 1.00 0.21 C ATOM 381 O LYS A 60 -6.052 2.095 7.989 1.00 0.23 O ATOM 382 CB LYS A 60 -4.361 1.307 10.202 1.00 0.32 C ATOM 383 CG LYS A 60 -5.713 1.379 10.886 1.00 0.35 C ATOM 384 CD LYS A 60 -5.656 2.183 12.155 1.00 0.59 C ATOM 385 CE LYS A 60 -5.396 3.655 11.872 1.00 1.67 C ATOM 386 NZ LYS A 60 -5.433 4.460 13.099 1.00 2.54 N ATOM 0 H LYS A 60 -2.744 0.534 7.679 1.00 0.32 H new ATOM 0 HA LYS A 60 -5.010 -0.355 9.101 1.00 0.28 H new ATOM 0 HB2 LYS A 60 -3.641 0.845 10.877 1.00 0.32 H new ATOM 0 HB3 LYS A 60 -4.006 2.318 10.001 1.00 0.32 H new ATOM 0 HG2 LYS A 60 -6.440 1.823 10.207 1.00 0.35 H new ATOM 0 HG3 LYS A 60 -6.061 0.371 11.110 1.00 0.35 H new ATOM 0 HD2 LYS A 60 -6.596 2.076 12.697 1.00 0.59 H new ATOM 0 HD3 LYS A 60 -4.870 1.791 12.800 1.00 0.59 H new ATOM 0 HE2 LYS A 60 -4.423 3.767 11.393 1.00 1.67 H new ATOM 0 HE3 LYS A 60 -6.142 4.028 11.170 1.00 1.67 H new ATOM 0 HZ1 LYS A 60 -5.251 5.457 12.866 1.00 2.54 H new ATOM 0 HZ2 LYS A 60 -6.369 4.373 13.543 1.00 2.54 H new ATOM 0 HZ3 LYS A 60 -4.704 4.121 13.759 1.00 2.54 H new ATOM 400 N LEU A 61 -4.571 1.202 6.586 1.00 0.17 N ATOM 401 CA LEU A 61 -5.147 1.818 5.421 1.00 0.13 C ATOM 402 C LEU A 61 -6.050 0.813 4.771 1.00 0.10 C ATOM 403 O LEU A 61 -5.638 -0.332 4.538 1.00 0.10 O ATOM 404 CB LEU A 61 -4.077 2.226 4.436 1.00 0.16 C ATOM 405 CG LEU A 61 -3.025 3.219 4.917 1.00 0.19 C ATOM 406 CD1 LEU A 61 -2.012 3.465 3.816 1.00 0.19 C ATOM 407 CD2 LEU A 61 -3.676 4.527 5.340 1.00 0.23 C ATOM 0 H LEU A 61 -3.736 0.649 6.394 1.00 0.17 H new ATOM 0 HA LEU A 61 -5.694 2.713 5.719 1.00 0.13 H new ATOM 0 HB2 LEU A 61 -3.563 1.324 4.104 1.00 0.16 H new ATOM 0 HB3 LEU A 61 -4.569 2.653 3.562 1.00 0.16 H new ATOM 0 HG LEU A 61 -2.515 2.798 5.783 1.00 0.19 H new ATOM 0 HD11 LEU A 61 -1.262 4.175 4.164 1.00 0.19 H new ATOM 0 HD12 LEU A 61 -1.527 2.525 3.551 1.00 0.19 H new ATOM 0 HD13 LEU A 61 -2.518 3.871 2.940 1.00 0.19 H new ATOM 0 HD21 LEU A 61 -2.908 5.222 5.680 1.00 0.23 H new ATOM 0 HD22 LEU A 61 -4.208 4.960 4.492 1.00 0.23 H new ATOM 0 HD23 LEU A 61 -4.379 4.338 6.151 1.00 0.23 H new ATOM 419 N ILE A 62 -7.244 1.208 4.462 1.00 0.09 N ATOM 420 CA ILE A 62 -8.194 0.286 3.921 1.00 0.07 C ATOM 421 C ILE A 62 -8.179 0.437 2.418 1.00 0.06 C ATOM 422 O ILE A 62 -8.428 1.522 1.900 1.00 0.06 O ATOM 423 CB ILE A 62 -9.634 0.573 4.414 1.00 0.08 C ATOM 424 CG1 ILE A 62 -9.700 0.808 5.933 1.00 0.20 C ATOM 425 CG2 ILE A 62 -10.501 -0.595 4.062 1.00 0.11 C ATOM 426 CD1 ILE A 62 -9.338 -0.389 6.787 1.00 0.46 C ATOM 0 H ILE A 62 -7.585 2.163 4.575 1.00 0.09 H new ATOM 0 HA ILE A 62 -7.918 -0.718 4.243 1.00 0.07 H new ATOM 0 HB ILE A 62 -9.979 1.485 3.927 1.00 0.08 H new ATOM 0 HG12 ILE A 62 -9.031 1.631 6.187 1.00 0.20 H new ATOM 0 HG13 ILE A 62 -10.710 1.127 6.192 1.00 0.20 H new ATOM 0 HG21 ILE A 62 -11.519 -0.408 4.403 1.00 0.11 H new ATOM 0 HG22 ILE A 62 -10.500 -0.736 2.981 1.00 0.11 H new ATOM 0 HG23 ILE A 62 -10.116 -1.493 4.545 1.00 0.11 H new ATOM 0 HD11 ILE A 62 -9.415 -0.121 7.841 1.00 0.46 H new ATOM 0 HD12 ILE A 62 -10.021 -1.210 6.570 1.00 0.46 H new ATOM 0 HD13 ILE A 62 -8.317 -0.699 6.565 1.00 0.46 H new ATOM 438 N PHE A 63 -7.849 -0.614 1.733 1.00 0.05 N ATOM 439 CA PHE A 63 -7.775 -0.595 0.299 1.00 0.05 C ATOM 440 C PHE A 63 -7.872 -1.919 -0.380 1.00 0.04 C ATOM 441 O PHE A 63 -7.837 -2.953 0.248 1.00 0.05 O ATOM 442 CB PHE A 63 -6.636 0.259 -0.250 1.00 0.07 C ATOM 443 CG PHE A 63 -5.280 0.032 0.332 1.00 0.09 C ATOM 444 CD1 PHE A 63 -4.754 -1.225 0.587 1.00 0.11 C ATOM 445 CD2 PHE A 63 -4.528 1.124 0.634 1.00 0.10 C ATOM 446 CE1 PHE A 63 -3.498 -1.339 1.132 1.00 0.14 C ATOM 447 CE2 PHE A 63 -3.298 1.006 1.164 1.00 0.12 C ATOM 448 CZ PHE A 63 -2.768 -0.211 1.419 1.00 0.13 C ATOM 0 H PHE A 63 -7.622 -1.516 2.152 1.00 0.05 H new ATOM 0 HA PHE A 63 -8.703 -0.092 0.029 1.00 0.05 H new ATOM 0 HB2 PHE A 63 -6.576 0.093 -1.326 1.00 0.07 H new ATOM 0 HB3 PHE A 63 -6.897 1.307 -0.103 1.00 0.07 H new ATOM 0 HD1 PHE A 63 -5.329 -2.110 0.358 1.00 0.11 H new ATOM 0 HD2 PHE A 63 -4.928 2.109 0.444 1.00 0.10 H new ATOM 0 HE1 PHE A 63 -3.084 -2.316 1.335 1.00 0.14 H new ATOM 0 HE2 PHE A 63 -2.727 1.894 1.389 1.00 0.12 H new ATOM 0 HZ PHE A 63 -1.779 -0.296 1.845 1.00 0.13 H new ATOM 458 N HIS A 64 -8.064 -1.847 -1.671 1.00 0.04 N ATOM 459 CA HIS A 64 -8.103 -2.988 -2.549 1.00 0.04 C ATOM 460 C HIS A 64 -6.718 -3.605 -2.536 1.00 0.06 C ATOM 461 O HIS A 64 -5.703 -2.899 -2.575 1.00 0.08 O ATOM 462 CB HIS A 64 -8.391 -2.513 -3.982 1.00 0.05 C ATOM 463 CG HIS A 64 -9.555 -1.580 -4.148 1.00 0.05 C ATOM 464 ND1 HIS A 64 -9.424 -0.202 -3.984 1.00 0.06 N ATOM 465 CD2 HIS A 64 -10.827 -1.857 -4.471 1.00 0.06 C ATOM 466 CE1 HIS A 64 -10.616 0.298 -4.214 1.00 0.06 C ATOM 467 NE2 HIS A 64 -11.503 -0.665 -4.512 1.00 0.07 N ATOM 0 H HIS A 64 -8.202 -0.961 -2.158 1.00 0.04 H new ATOM 0 HA HIS A 64 -8.869 -3.694 -2.229 1.00 0.04 H new ATOM 0 HB2 HIS A 64 -7.498 -2.019 -4.365 1.00 0.05 H new ATOM 0 HB3 HIS A 64 -8.563 -3.390 -4.606 1.00 0.05 H new ATOM 0 HD2 HIS A 64 -11.241 -2.836 -4.663 1.00 0.06 H new ATOM 0 HE1 HIS A 64 -10.853 1.351 -4.169 1.00 0.06 H new ATOM 0 HE2 HIS A 64 -12.491 -0.535 -4.728 1.00 0.07 H new ATOM 475 N ASN A 65 -6.687 -4.909 -2.464 1.00 0.06 N ATOM 476 CA ASN A 65 -5.472 -5.658 -2.415 1.00 0.07 C ATOM 477 C ASN A 65 -4.598 -5.475 -3.645 1.00 0.08 C ATOM 478 O ASN A 65 -3.398 -5.417 -3.539 1.00 0.10 O ATOM 479 CB ASN A 65 -5.758 -7.151 -2.143 1.00 0.09 C ATOM 480 CG ASN A 65 -6.749 -7.858 -3.086 1.00 0.15 C ATOM 481 OD1 ASN A 65 -6.918 -7.521 -4.257 1.00 1.06 O ATOM 482 ND2 ASN A 65 -7.391 -8.869 -2.574 1.00 1.07 N ATOM 0 H ASN A 65 -7.527 -5.487 -2.438 1.00 0.06 H new ATOM 0 HA ASN A 65 -4.896 -5.256 -1.581 1.00 0.07 H new ATOM 0 HB2 ASN A 65 -4.811 -7.689 -2.182 1.00 0.09 H new ATOM 0 HB3 ASN A 65 -6.136 -7.243 -1.125 1.00 0.09 H new ATOM 0 HD21 ASN A 65 -8.049 -9.398 -3.146 1.00 1.07 H new ATOM 0 HD22 ASN A 65 -7.236 -9.132 -1.601 1.00 1.07 H new ATOM 489 N SER A 66 -5.216 -5.394 -4.774 1.00 0.09 N ATOM 490 CA SER A 66 -4.562 -5.293 -6.042 1.00 0.12 C ATOM 491 C SER A 66 -3.975 -3.914 -6.419 1.00 0.11 C ATOM 492 O SER A 66 -3.218 -3.816 -7.393 1.00 0.15 O ATOM 493 CB SER A 66 -5.535 -5.762 -7.080 1.00 0.16 C ATOM 494 OG SER A 66 -6.842 -5.205 -6.848 1.00 0.17 O ATOM 0 H SER A 66 -6.233 -5.396 -4.846 1.00 0.09 H new ATOM 0 HA SER A 66 -3.670 -5.917 -5.980 1.00 0.12 H new ATOM 0 HB2 SER A 66 -5.183 -5.474 -8.071 1.00 0.16 H new ATOM 0 HB3 SER A 66 -5.591 -6.850 -7.066 1.00 0.16 H new ATOM 0 HG SER A 66 -7.460 -5.523 -7.538 1.00 0.17 H new ATOM 500 N CYS A 67 -4.266 -2.867 -5.683 1.00 0.08 N ATOM 501 CA CYS A 67 -3.920 -1.555 -6.215 1.00 0.09 C ATOM 502 C CYS A 67 -2.635 -0.947 -5.699 1.00 0.10 C ATOM 503 O CYS A 67 -2.054 -0.085 -6.377 1.00 0.20 O ATOM 504 CB CYS A 67 -5.081 -0.580 -6.122 1.00 0.09 C ATOM 505 SG CYS A 67 -5.840 -0.503 -4.511 1.00 0.07 S ATOM 0 H CYS A 67 -4.715 -2.882 -4.767 1.00 0.08 H new ATOM 0 HA CYS A 67 -3.712 -1.752 -7.267 1.00 0.09 H new ATOM 0 HB2 CYS A 67 -4.728 0.415 -6.394 1.00 0.09 H new ATOM 0 HB3 CYS A 67 -5.837 -0.861 -6.855 1.00 0.09 H new ATOM 510 N PHE A 68 -2.156 -1.365 -4.547 1.00 0.09 N ATOM 511 CA PHE A 68 -0.986 -0.718 -4.027 1.00 0.09 C ATOM 512 C PHE A 68 0.288 -1.284 -4.590 1.00 0.07 C ATOM 513 O PHE A 68 0.763 -2.337 -4.180 1.00 0.07 O ATOM 514 CB PHE A 68 -0.946 -0.595 -2.493 1.00 0.10 C ATOM 515 CG PHE A 68 -1.106 -1.832 -1.653 1.00 0.09 C ATOM 516 CD1 PHE A 68 -2.259 -2.596 -1.680 1.00 0.10 C ATOM 517 CD2 PHE A 68 -0.095 -2.190 -0.783 1.00 0.10 C ATOM 518 CE1 PHE A 68 -2.391 -3.703 -0.851 1.00 0.11 C ATOM 519 CE2 PHE A 68 -0.224 -3.278 0.046 1.00 0.12 C ATOM 520 CZ PHE A 68 -1.366 -4.035 0.015 1.00 0.10 C ATOM 0 H PHE A 68 -2.543 -2.118 -3.978 1.00 0.09 H new ATOM 0 HA PHE A 68 -1.065 0.309 -4.384 1.00 0.09 H new ATOM 0 HB2 PHE A 68 0.007 -0.138 -2.225 1.00 0.10 H new ATOM 0 HB3 PHE A 68 -1.729 0.104 -2.199 1.00 0.10 H new ATOM 0 HD1 PHE A 68 -3.063 -2.330 -2.351 1.00 0.10 H new ATOM 0 HD2 PHE A 68 0.812 -1.605 -0.754 1.00 0.10 H new ATOM 0 HE1 PHE A 68 -3.290 -4.301 -0.883 1.00 0.11 H new ATOM 0 HE2 PHE A 68 0.576 -3.537 0.723 1.00 0.12 H new ATOM 0 HZ PHE A 68 -1.465 -4.890 0.667 1.00 0.10 H new ATOM 530 N CYS A 69 0.779 -0.616 -5.580 1.00 0.07 N ATOM 531 CA CYS A 69 2.022 -0.923 -6.190 1.00 0.07 C ATOM 532 C CYS A 69 2.979 0.212 -5.886 1.00 0.06 C ATOM 533 O CYS A 69 2.554 1.256 -5.359 1.00 0.06 O ATOM 534 CB CYS A 69 1.845 -1.084 -7.698 1.00 0.09 C ATOM 535 SG CYS A 69 0.601 -2.318 -8.160 1.00 0.12 S ATOM 0 H CYS A 69 0.307 0.186 -5.998 1.00 0.07 H new ATOM 0 HA CYS A 69 2.416 -1.862 -5.800 1.00 0.07 H new ATOM 0 HB2 CYS A 69 1.565 -0.122 -8.127 1.00 0.09 H new ATOM 0 HB3 CYS A 69 2.802 -1.363 -8.139 1.00 0.09 H new ATOM 0 HG CYS A 69 0.517 -2.385 -9.456 1.00 0.12 H new ATOM 541 N CYS A 70 4.246 0.019 -6.175 1.00 0.05 N ATOM 542 CA CYS A 70 5.229 1.060 -5.947 1.00 0.05 C ATOM 543 C CYS A 70 4.953 2.239 -6.849 1.00 0.06 C ATOM 544 O CYS A 70 4.565 2.107 -8.014 1.00 0.08 O ATOM 545 CB CYS A 70 6.643 0.511 -6.123 1.00 0.05 C ATOM 546 SG CYS A 70 8.026 1.689 -6.095 1.00 0.06 S ATOM 0 H CYS A 70 4.621 -0.845 -6.567 1.00 0.05 H new ATOM 0 HA CYS A 70 5.152 1.411 -4.918 1.00 0.05 H new ATOM 0 HB2 CYS A 70 6.815 -0.225 -5.338 1.00 0.05 H new ATOM 0 HB3 CYS A 70 6.678 -0.022 -7.073 1.00 0.05 H new ATOM 551 N LYS A 71 5.088 3.380 -6.264 1.00 0.09 N ATOM 552 CA LYS A 71 4.814 4.631 -6.902 1.00 0.11 C ATOM 553 C LYS A 71 5.882 4.952 -7.934 1.00 0.12 C ATOM 554 O LYS A 71 5.593 5.560 -8.956 1.00 0.16 O ATOM 555 CB LYS A 71 4.742 5.731 -5.853 1.00 0.14 C ATOM 556 CG LYS A 71 4.161 7.080 -6.312 1.00 0.17 C ATOM 557 CD LYS A 71 2.638 7.152 -6.257 1.00 0.30 C ATOM 558 CE LYS A 71 1.991 6.407 -7.375 1.00 0.55 C ATOM 559 NZ LYS A 71 0.542 6.665 -7.429 1.00 1.33 N ATOM 0 H LYS A 71 5.402 3.475 -5.298 1.00 0.09 H new ATOM 0 HA LYS A 71 3.856 4.563 -7.418 1.00 0.11 H new ATOM 0 HB2 LYS A 71 4.143 5.368 -5.018 1.00 0.14 H new ATOM 0 HB3 LYS A 71 5.748 5.905 -5.471 1.00 0.14 H new ATOM 0 HG2 LYS A 71 4.574 7.873 -5.689 1.00 0.17 H new ATOM 0 HG3 LYS A 71 4.487 7.275 -7.334 1.00 0.17 H new ATOM 0 HD2 LYS A 71 2.292 6.746 -5.306 1.00 0.30 H new ATOM 0 HD3 LYS A 71 2.325 8.196 -6.291 1.00 0.30 H new ATOM 0 HE2 LYS A 71 2.449 6.698 -8.320 1.00 0.55 H new ATOM 0 HE3 LYS A 71 2.167 5.338 -7.251 1.00 0.55 H new ATOM 0 HZ1 LYS A 71 0.124 6.132 -8.218 1.00 1.33 H new ATOM 0 HZ2 LYS A 71 0.102 6.364 -6.536 1.00 1.33 H new ATOM 0 HZ3 LYS A 71 0.375 7.682 -7.572 1.00 1.33 H new ATOM 573 N HIS A 72 7.110 4.521 -7.680 1.00 0.11 N ATOM 574 CA HIS A 72 8.202 4.810 -8.596 1.00 0.12 C ATOM 575 C HIS A 72 8.255 3.751 -9.696 1.00 0.11 C ATOM 576 O HIS A 72 8.480 4.077 -10.859 1.00 0.13 O ATOM 577 CB HIS A 72 9.543 4.917 -7.851 1.00 0.13 C ATOM 578 CG HIS A 72 10.697 5.491 -8.667 1.00 0.18 C ATOM 579 ND1 HIS A 72 11.100 6.796 -8.504 1.00 0.24 N ATOM 580 CD2 HIS A 72 11.532 4.887 -9.550 1.00 0.20 C ATOM 581 CE1 HIS A 72 12.174 6.950 -9.274 1.00 0.27 C ATOM 582 NE2 HIS A 72 12.463 5.827 -9.925 1.00 0.26 N ATOM 0 H HIS A 72 7.372 3.977 -6.858 1.00 0.11 H new ATOM 0 HA HIS A 72 8.018 5.779 -9.061 1.00 0.12 H new ATOM 0 HB2 HIS A 72 9.400 5.538 -6.967 1.00 0.13 H new ATOM 0 HB3 HIS A 72 9.826 3.924 -7.501 1.00 0.13 H new ATOM 0 HD2 HIS A 72 11.476 3.864 -9.892 1.00 0.20 H new ATOM 0 HE1 HIS A 72 12.738 7.867 -9.359 1.00 0.27 H new ATOM 0 HE2 HIS A 72 13.232 5.689 -10.581 1.00 0.26 H new ATOM 590 N CYS A 73 8.023 2.492 -9.337 1.00 0.09 N ATOM 591 CA CYS A 73 7.983 1.449 -10.315 1.00 0.09 C ATOM 592 C CYS A 73 6.701 0.664 -10.089 1.00 0.08 C ATOM 593 O CYS A 73 6.424 0.298 -8.968 1.00 0.07 O ATOM 594 CB CYS A 73 9.221 0.544 -10.181 1.00 0.10 C ATOM 595 SG CYS A 73 9.316 -0.590 -8.739 1.00 0.08 S ATOM 0 H CYS A 73 7.863 2.186 -8.377 1.00 0.09 H new ATOM 0 HA CYS A 73 7.995 1.861 -11.324 1.00 0.09 H new ATOM 0 HB2 CYS A 73 9.291 -0.061 -11.085 1.00 0.10 H new ATOM 0 HB3 CYS A 73 10.102 1.186 -10.158 1.00 0.10 H new ATOM 600 N HIS A 74 5.931 0.369 -11.105 1.00 0.10 N ATOM 601 CA HIS A 74 4.647 -0.311 -10.861 1.00 0.10 C ATOM 602 C HIS A 74 4.795 -1.823 -10.690 1.00 0.10 C ATOM 603 O HIS A 74 4.326 -2.623 -11.490 1.00 0.13 O ATOM 604 CB HIS A 74 3.521 0.096 -11.851 1.00 0.13 C ATOM 605 CG HIS A 74 3.751 -0.179 -13.316 1.00 1.21 C ATOM 606 ND1 HIS A 74 4.339 0.724 -14.162 1.00 1.81 N ATOM 607 CD2 HIS A 74 3.415 -1.237 -14.087 1.00 2.26 C ATOM 608 CE1 HIS A 74 4.354 0.245 -15.380 1.00 2.72 C ATOM 609 NE2 HIS A 74 3.800 -0.941 -15.362 1.00 3.02 N ATOM 0 H HIS A 74 6.143 0.572 -12.082 1.00 0.10 H new ATOM 0 HA HIS A 74 4.306 0.060 -9.894 1.00 0.10 H new ATOM 0 HB2 HIS A 74 2.607 -0.418 -11.551 1.00 0.13 H new ATOM 0 HB3 HIS A 74 3.339 1.164 -11.733 1.00 0.13 H new ATOM 0 HD2 HIS A 74 2.933 -2.145 -13.756 1.00 2.26 H new ATOM 0 HE1 HIS A 74 4.755 0.743 -16.251 1.00 2.72 H new ATOM 0 HE2 HIS A 74 3.676 -1.548 -16.173 1.00 3.02 H new ATOM 618 N THR A 75 5.483 -2.181 -9.646 1.00 0.10 N ATOM 619 CA THR A 75 5.654 -3.540 -9.257 1.00 0.10 C ATOM 620 C THR A 75 4.557 -3.882 -8.257 1.00 0.10 C ATOM 621 O THR A 75 4.243 -3.059 -7.345 1.00 0.10 O ATOM 622 CB THR A 75 7.080 -3.810 -8.660 1.00 0.10 C ATOM 623 OG1 THR A 75 7.284 -5.214 -8.434 1.00 0.11 O ATOM 624 CG2 THR A 75 7.315 -3.063 -7.350 1.00 0.10 C ATOM 0 H THR A 75 5.950 -1.516 -9.030 1.00 0.10 H new ATOM 0 HA THR A 75 5.575 -4.181 -10.135 1.00 0.10 H new ATOM 0 HB THR A 75 7.792 -3.443 -9.399 1.00 0.10 H new ATOM 0 HG1 THR A 75 8.180 -5.359 -8.063 1.00 0.11 H new ATOM 0 HG21 THR A 75 8.316 -3.284 -6.979 1.00 0.10 H new ATOM 0 HG22 THR A 75 7.220 -1.991 -7.521 1.00 0.10 H new ATOM 0 HG23 THR A 75 6.577 -3.380 -6.613 1.00 0.10 H new ATOM 632 N LYS A 76 3.919 -5.019 -8.476 1.00 0.11 N ATOM 633 CA LYS A 76 2.843 -5.498 -7.639 1.00 0.11 C ATOM 634 C LYS A 76 3.437 -5.973 -6.319 1.00 0.11 C ATOM 635 O LYS A 76 3.779 -7.137 -6.143 1.00 0.16 O ATOM 636 CB LYS A 76 2.084 -6.624 -8.381 1.00 0.13 C ATOM 637 CG LYS A 76 0.696 -7.016 -7.825 1.00 0.86 C ATOM 638 CD LYS A 76 0.753 -7.900 -6.579 1.00 1.59 C ATOM 639 CE LYS A 76 1.387 -9.266 -6.871 1.00 2.07 C ATOM 640 NZ LYS A 76 0.674 -10.001 -7.945 1.00 2.61 N ATOM 0 H LYS A 76 4.141 -5.641 -9.253 1.00 0.11 H new ATOM 0 HA LYS A 76 2.124 -4.708 -7.424 1.00 0.11 H new ATOM 0 HB2 LYS A 76 1.960 -6.321 -9.421 1.00 0.13 H new ATOM 0 HB3 LYS A 76 2.713 -7.514 -8.381 1.00 0.13 H new ATOM 0 HG2 LYS A 76 0.141 -6.108 -7.589 1.00 0.86 H new ATOM 0 HG3 LYS A 76 0.138 -7.537 -8.603 1.00 0.86 H new ATOM 0 HD2 LYS A 76 1.325 -7.394 -5.801 1.00 1.59 H new ATOM 0 HD3 LYS A 76 -0.255 -8.044 -6.190 1.00 1.59 H new ATOM 0 HE2 LYS A 76 2.429 -9.126 -7.160 1.00 2.07 H new ATOM 0 HE3 LYS A 76 1.386 -9.866 -5.961 1.00 2.07 H new ATOM 0 HZ1 LYS A 76 1.004 -10.987 -7.969 1.00 2.61 H new ATOM 0 HZ2 LYS A 76 -0.349 -9.982 -7.758 1.00 2.61 H new ATOM 0 HZ3 LYS A 76 0.867 -9.549 -8.862 1.00 2.61 H new ATOM 654 N LEU A 77 3.589 -5.040 -5.433 1.00 0.07 N ATOM 655 CA LEU A 77 4.142 -5.262 -4.126 1.00 0.06 C ATOM 656 C LEU A 77 3.077 -5.489 -3.108 1.00 0.06 C ATOM 657 O LEU A 77 3.358 -5.761 -1.938 1.00 0.07 O ATOM 658 CB LEU A 77 5.088 -4.111 -3.769 1.00 0.05 C ATOM 659 CG LEU A 77 4.509 -2.662 -3.788 1.00 0.04 C ATOM 660 CD1 LEU A 77 3.547 -2.349 -2.667 1.00 0.05 C ATOM 661 CD2 LEU A 77 5.623 -1.712 -3.719 1.00 0.04 C ATOM 0 H LEU A 77 3.324 -4.069 -5.601 1.00 0.07 H new ATOM 0 HA LEU A 77 4.729 -6.180 -4.133 1.00 0.06 H new ATOM 0 HB2 LEU A 77 5.485 -4.300 -2.772 1.00 0.05 H new ATOM 0 HB3 LEU A 77 5.931 -4.144 -4.459 1.00 0.05 H new ATOM 0 HG LEU A 77 3.939 -2.578 -4.713 1.00 0.04 H new ATOM 0 HD11 LEU A 77 3.198 -1.321 -2.763 1.00 0.05 H new ATOM 0 HD12 LEU A 77 2.696 -3.028 -2.718 1.00 0.05 H new ATOM 0 HD13 LEU A 77 4.052 -2.472 -1.709 1.00 0.05 H new ATOM 0 HD21 LEU A 77 5.234 -0.694 -3.731 1.00 0.04 H new ATOM 0 HD22 LEU A 77 6.184 -1.875 -2.799 1.00 0.04 H new ATOM 0 HD23 LEU A 77 6.281 -1.860 -4.576 1.00 0.04 H new ATOM 673 N SER A 78 1.867 -5.427 -3.575 1.00 0.06 N ATOM 674 CA SER A 78 0.711 -5.541 -2.776 1.00 0.07 C ATOM 675 C SER A 78 0.728 -6.830 -1.951 1.00 0.07 C ATOM 676 O SER A 78 1.051 -7.898 -2.468 1.00 0.08 O ATOM 677 CB SER A 78 -0.419 -5.592 -3.743 1.00 0.07 C ATOM 678 OG SER A 78 -0.140 -4.736 -4.854 1.00 0.08 O ATOM 0 H SER A 78 1.663 -5.290 -4.565 1.00 0.06 H new ATOM 0 HA SER A 78 0.636 -4.713 -2.071 1.00 0.07 H new ATOM 0 HB2 SER A 78 -0.569 -6.615 -4.088 1.00 0.07 H new ATOM 0 HB3 SER A 78 -1.343 -5.281 -3.255 1.00 0.07 H new ATOM 0 HG SER A 78 0.202 -3.877 -4.528 1.00 0.08 H new ATOM 684 N LEU A 79 0.341 -6.676 -0.695 1.00 0.08 N ATOM 685 CA LEU A 79 0.217 -7.713 0.327 1.00 0.09 C ATOM 686 C LEU A 79 1.170 -8.910 0.151 1.00 0.13 C ATOM 687 O LEU A 79 0.809 -9.938 -0.447 1.00 0.18 O ATOM 688 CB LEU A 79 -1.224 -8.141 0.456 1.00 0.10 C ATOM 689 CG LEU A 79 -1.734 -8.380 1.890 1.00 0.11 C ATOM 690 CD1 LEU A 79 -0.979 -9.494 2.536 1.00 0.11 C ATOM 691 CD2 LEU A 79 -1.612 -7.106 2.730 1.00 0.14 C ATOM 0 H LEU A 79 0.086 -5.757 -0.333 1.00 0.08 H new ATOM 0 HA LEU A 79 0.541 -7.261 1.264 1.00 0.09 H new ATOM 0 HB2 LEU A 79 -1.851 -7.380 -0.009 1.00 0.10 H new ATOM 0 HB3 LEU A 79 -1.362 -9.059 -0.115 1.00 0.10 H new ATOM 0 HG LEU A 79 -2.787 -8.657 1.832 1.00 0.11 H new ATOM 0 HD11 LEU A 79 -1.353 -9.648 3.548 1.00 0.11 H new ATOM 0 HD12 LEU A 79 -1.112 -10.408 1.957 1.00 0.11 H new ATOM 0 HD13 LEU A 79 0.080 -9.241 2.575 1.00 0.11 H new ATOM 0 HD21 LEU A 79 -1.978 -7.299 3.738 1.00 0.14 H new ATOM 0 HD22 LEU A 79 -0.567 -6.799 2.776 1.00 0.14 H new ATOM 0 HD23 LEU A 79 -2.204 -6.312 2.275 1.00 0.14 H new ATOM 703 N GLY A 80 2.344 -8.775 0.702 1.00 0.19 N ATOM 704 CA GLY A 80 3.351 -9.801 0.630 1.00 0.24 C ATOM 705 C GLY A 80 4.646 -9.232 1.087 1.00 0.24 C ATOM 706 O GLY A 80 5.169 -9.591 2.145 1.00 0.29 O ATOM 0 H GLY A 80 2.633 -7.944 1.218 1.00 0.19 H new ATOM 0 HA2 GLY A 80 3.070 -10.650 1.253 1.00 0.24 H new ATOM 0 HA3 GLY A 80 3.441 -10.171 -0.391 1.00 0.24 H new ATOM 710 N SER A 81 5.135 -8.318 0.319 1.00 0.20 N ATOM 711 CA SER A 81 6.304 -7.577 0.656 1.00 0.19 C ATOM 712 C SER A 81 6.169 -6.178 0.077 1.00 0.13 C ATOM 713 O SER A 81 6.297 -5.969 -1.129 1.00 0.13 O ATOM 714 CB SER A 81 7.558 -8.315 0.157 1.00 0.24 C ATOM 715 OG SER A 81 7.432 -8.725 -1.203 1.00 0.26 O ATOM 0 H SER A 81 4.725 -8.060 -0.579 1.00 0.20 H new ATOM 0 HA SER A 81 6.412 -7.486 1.737 1.00 0.19 H new ATOM 0 HB2 SER A 81 8.426 -7.664 0.260 1.00 0.24 H new ATOM 0 HB3 SER A 81 7.738 -9.189 0.784 1.00 0.24 H new ATOM 0 HG SER A 81 7.046 -7.995 -1.730 1.00 0.26 H new ATOM 721 N TYR A 82 5.915 -5.225 0.931 1.00 0.10 N ATOM 722 CA TYR A 82 5.651 -3.890 0.512 1.00 0.06 C ATOM 723 C TYR A 82 6.233 -2.919 1.489 1.00 0.09 C ATOM 724 O TYR A 82 6.675 -3.304 2.570 1.00 0.11 O ATOM 725 CB TYR A 82 4.122 -3.654 0.376 1.00 0.06 C ATOM 726 CG TYR A 82 3.285 -3.803 1.648 1.00 0.08 C ATOM 727 CD1 TYR A 82 3.364 -2.858 2.659 1.00 0.17 C ATOM 728 CD2 TYR A 82 2.388 -4.854 1.814 1.00 0.12 C ATOM 729 CE1 TYR A 82 2.602 -2.946 3.790 1.00 0.18 C ATOM 730 CE2 TYR A 82 1.620 -4.948 2.955 1.00 0.13 C ATOM 731 CZ TYR A 82 1.735 -3.988 3.939 1.00 0.15 C ATOM 732 OH TYR A 82 0.966 -4.064 5.074 1.00 0.15 O ATOM 0 H TYR A 82 5.887 -5.361 1.942 1.00 0.10 H new ATOM 0 HA TYR A 82 6.115 -3.736 -0.462 1.00 0.06 H new ATOM 0 HB2 TYR A 82 3.967 -2.649 -0.017 1.00 0.06 H new ATOM 0 HB3 TYR A 82 3.736 -4.350 -0.368 1.00 0.06 H new ATOM 0 HD1 TYR A 82 4.047 -2.029 2.550 1.00 0.17 H new ATOM 0 HD2 TYR A 82 2.293 -5.603 1.042 1.00 0.12 H new ATOM 0 HE1 TYR A 82 2.686 -2.195 4.561 1.00 0.18 H new ATOM 0 HE2 TYR A 82 0.931 -5.770 3.078 1.00 0.13 H new ATOM 0 HH TYR A 82 0.399 -4.862 5.032 1.00 0.15 H new ATOM 742 N ALA A 83 6.286 -1.699 1.091 1.00 0.11 N ATOM 743 CA ALA A 83 6.652 -0.630 1.950 1.00 0.15 C ATOM 744 C ALA A 83 5.675 0.498 1.695 1.00 0.11 C ATOM 745 O ALA A 83 5.341 0.786 0.554 1.00 0.13 O ATOM 746 CB ALA A 83 8.072 -0.204 1.686 1.00 0.21 C ATOM 0 H ALA A 83 6.071 -1.409 0.137 1.00 0.11 H new ATOM 0 HA ALA A 83 6.608 -0.933 2.996 1.00 0.15 H new ATOM 0 HB1 ALA A 83 8.336 0.616 2.353 1.00 0.21 H new ATOM 0 HB2 ALA A 83 8.743 -1.045 1.862 1.00 0.21 H new ATOM 0 HB3 ALA A 83 8.167 0.125 0.651 1.00 0.21 H new ATOM 752 N ALA A 84 5.162 1.082 2.711 1.00 0.13 N ATOM 753 CA ALA A 84 4.205 2.128 2.518 1.00 0.15 C ATOM 754 C ALA A 84 4.580 3.336 3.317 1.00 0.18 C ATOM 755 O ALA A 84 4.985 3.211 4.480 1.00 0.22 O ATOM 756 CB ALA A 84 2.813 1.645 2.878 1.00 0.20 C ATOM 0 H ALA A 84 5.380 0.863 3.683 1.00 0.13 H new ATOM 0 HA ALA A 84 4.203 2.409 1.465 1.00 0.15 H new ATOM 0 HB1 ALA A 84 2.097 2.453 2.726 1.00 0.20 H new ATOM 0 HB2 ALA A 84 2.546 0.799 2.244 1.00 0.20 H new ATOM 0 HB3 ALA A 84 2.794 1.336 3.923 1.00 0.20 H new ATOM 762 N LEU A 85 4.474 4.483 2.712 1.00 0.21 N ATOM 763 CA LEU A 85 4.741 5.710 3.367 1.00 0.26 C ATOM 764 C LEU A 85 3.576 6.610 3.112 1.00 0.24 C ATOM 765 O LEU A 85 2.827 6.393 2.164 1.00 0.22 O ATOM 766 CB LEU A 85 6.022 6.368 2.823 1.00 0.33 C ATOM 767 CG LEU A 85 6.434 7.659 3.523 1.00 0.43 C ATOM 768 CD1 LEU A 85 7.015 7.371 4.865 1.00 0.53 C ATOM 769 CD2 LEU A 85 7.380 8.503 2.710 1.00 0.65 C ATOM 0 H LEU A 85 4.195 4.583 1.736 1.00 0.21 H new ATOM 0 HA LEU A 85 4.888 5.533 4.433 1.00 0.26 H new ATOM 0 HB2 LEU A 85 6.841 5.653 2.902 1.00 0.33 H new ATOM 0 HB3 LEU A 85 5.882 6.577 1.762 1.00 0.33 H new ATOM 0 HG LEU A 85 5.522 8.244 3.643 1.00 0.43 H new ATOM 0 HD11 LEU A 85 7.302 8.306 5.346 1.00 0.53 H new ATOM 0 HD12 LEU A 85 6.275 6.859 5.480 1.00 0.53 H new ATOM 0 HD13 LEU A 85 7.894 6.737 4.752 1.00 0.53 H new ATOM 0 HD21 LEU A 85 7.632 9.406 3.267 1.00 0.65 H new ATOM 0 HD22 LEU A 85 8.289 7.937 2.506 1.00 0.65 H new ATOM 0 HD23 LEU A 85 6.905 8.778 1.769 1.00 0.65 H new ATOM 781 N HIS A 86 3.374 7.551 3.994 1.00 0.28 N ATOM 782 CA HIS A 86 2.393 8.594 3.793 1.00 0.27 C ATOM 783 C HIS A 86 2.563 9.219 2.411 1.00 0.28 C ATOM 784 O HIS A 86 3.626 9.741 2.078 1.00 0.34 O ATOM 785 CB HIS A 86 2.504 9.669 4.917 1.00 0.33 C ATOM 786 CG HIS A 86 3.925 10.111 5.282 1.00 0.41 C ATOM 787 ND1 HIS A 86 4.458 9.935 6.536 1.00 0.49 N ATOM 788 CD2 HIS A 86 4.912 10.709 4.557 1.00 0.45 C ATOM 789 CE1 HIS A 86 5.689 10.393 6.562 1.00 0.56 C ATOM 790 NE2 HIS A 86 5.988 10.869 5.385 1.00 0.54 N ATOM 0 H HIS A 86 3.883 7.620 4.875 1.00 0.28 H new ATOM 0 HA HIS A 86 1.396 8.157 3.846 1.00 0.27 H new ATOM 0 HB2 HIS A 86 1.939 10.548 4.609 1.00 0.33 H new ATOM 0 HB3 HIS A 86 2.024 9.279 5.814 1.00 0.33 H new ATOM 0 HD2 HIS A 86 4.855 11.003 3.519 1.00 0.45 H new ATOM 0 HE1 HIS A 86 6.347 10.378 7.419 1.00 0.56 H new ATOM 0 HE2 HIS A 86 6.879 11.292 5.125 1.00 0.54 H new ATOM 799 N GLY A 87 1.540 9.101 1.610 1.00 0.26 N ATOM 800 CA GLY A 87 1.560 9.658 0.297 1.00 0.32 C ATOM 801 C GLY A 87 1.856 8.633 -0.790 1.00 0.26 C ATOM 802 O GLY A 87 1.170 8.609 -1.821 1.00 0.26 O ATOM 0 H GLY A 87 0.675 8.617 1.853 1.00 0.26 H new ATOM 0 HA2 GLY A 87 0.596 10.125 0.093 1.00 0.32 H new ATOM 0 HA3 GLY A 87 2.311 10.447 0.256 1.00 0.32 H new ATOM 806 N GLU A 88 2.853 7.767 -0.575 1.00 0.22 N ATOM 807 CA GLU A 88 3.291 6.856 -1.625 1.00 0.18 C ATOM 808 C GLU A 88 3.573 5.453 -1.094 1.00 0.15 C ATOM 809 O GLU A 88 4.139 5.281 -0.015 1.00 0.15 O ATOM 810 CB GLU A 88 4.567 7.396 -2.304 1.00 0.17 C ATOM 811 CG GLU A 88 4.419 8.813 -2.837 1.00 0.20 C ATOM 812 CD GLU A 88 5.694 9.385 -3.410 1.00 0.21 C ATOM 813 OE1 GLU A 88 6.038 9.082 -4.577 1.00 0.26 O ATOM 814 OE2 GLU A 88 6.356 10.192 -2.737 1.00 0.26 O ATOM 0 H GLU A 88 3.362 7.682 0.305 1.00 0.22 H new ATOM 0 HA GLU A 88 2.475 6.792 -2.345 1.00 0.18 H new ATOM 0 HB2 GLU A 88 5.389 7.370 -1.588 1.00 0.17 H new ATOM 0 HB3 GLU A 88 4.839 6.734 -3.126 1.00 0.17 H new ATOM 0 HG2 GLU A 88 3.649 8.823 -3.608 1.00 0.20 H new ATOM 0 HG3 GLU A 88 4.071 9.460 -2.031 1.00 0.20 H new ATOM 821 N PHE A 89 3.223 4.458 -1.874 1.00 0.13 N ATOM 822 CA PHE A 89 3.537 3.097 -1.561 1.00 0.10 C ATOM 823 C PHE A 89 4.747 2.807 -2.376 1.00 0.09 C ATOM 824 O PHE A 89 4.793 3.143 -3.562 1.00 0.09 O ATOM 825 CB PHE A 89 2.364 2.158 -1.920 1.00 0.09 C ATOM 826 CG PHE A 89 1.111 2.520 -1.162 1.00 0.09 C ATOM 827 CD1 PHE A 89 0.327 3.593 -1.569 1.00 0.14 C ATOM 828 CD2 PHE A 89 0.751 1.835 -0.011 1.00 0.18 C ATOM 829 CE1 PHE A 89 -0.779 3.968 -0.858 1.00 0.19 C ATOM 830 CE2 PHE A 89 -0.348 2.215 0.710 1.00 0.22 C ATOM 831 CZ PHE A 89 -1.118 3.290 0.282 1.00 0.14 C ATOM 0 H PHE A 89 2.710 4.578 -2.747 1.00 0.13 H new ATOM 0 HA PHE A 89 3.713 2.939 -0.497 1.00 0.10 H new ATOM 0 HB2 PHE A 89 2.170 2.211 -2.991 1.00 0.09 H new ATOM 0 HB3 PHE A 89 2.640 1.128 -1.696 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.596 4.139 -2.461 1.00 0.14 H new ATOM 0 HD2 PHE A 89 1.343 0.994 0.319 1.00 0.18 H new ATOM 0 HE1 PHE A 89 -1.384 4.797 -1.195 1.00 0.19 H new ATOM 0 HE2 PHE A 89 -0.616 1.681 1.609 1.00 0.22 H new ATOM 0 HZ PHE A 89 -1.986 3.591 0.850 1.00 0.14 H new ATOM 841 N TYR A 90 5.728 2.249 -1.787 1.00 0.08 N ATOM 842 CA TYR A 90 6.989 2.180 -2.423 1.00 0.08 C ATOM 843 C TYR A 90 7.510 0.794 -2.246 1.00 0.06 C ATOM 844 O TYR A 90 7.170 0.129 -1.292 1.00 0.08 O ATOM 845 CB TYR A 90 7.890 3.192 -1.719 1.00 0.09 C ATOM 846 CG TYR A 90 8.376 4.314 -2.583 1.00 0.10 C ATOM 847 CD1 TYR A 90 7.465 5.203 -3.137 1.00 0.15 C ATOM 848 CD2 TYR A 90 9.716 4.524 -2.826 1.00 0.13 C ATOM 849 CE1 TYR A 90 7.871 6.255 -3.905 1.00 0.22 C ATOM 850 CE2 TYR A 90 10.134 5.584 -3.601 1.00 0.20 C ATOM 851 CZ TYR A 90 9.202 6.448 -4.137 1.00 0.15 C ATOM 852 OH TYR A 90 9.604 7.510 -4.912 1.00 0.34 O ATOM 0 H TYR A 90 5.687 1.829 -0.858 1.00 0.08 H new ATOM 0 HA TYR A 90 6.940 2.405 -3.488 1.00 0.08 H new ATOM 0 HB2 TYR A 90 7.346 3.614 -0.873 1.00 0.09 H new ATOM 0 HB3 TYR A 90 8.754 2.666 -1.312 1.00 0.09 H new ATOM 0 HD1 TYR A 90 6.410 5.058 -2.956 1.00 0.15 H new ATOM 0 HD2 TYR A 90 10.447 3.850 -2.404 1.00 0.13 H new ATOM 0 HE1 TYR A 90 7.143 6.932 -4.327 1.00 0.22 H new ATOM 0 HE2 TYR A 90 11.187 5.738 -3.788 1.00 0.20 H new ATOM 0 HH TYR A 90 10.308 8.008 -4.445 1.00 0.34 H new ATOM 862 N CYS A 91 8.276 0.317 -3.173 1.00 0.05 N ATOM 863 CA CYS A 91 8.807 -0.995 -2.997 1.00 0.05 C ATOM 864 C CYS A 91 9.954 -0.894 -2.037 1.00 0.08 C ATOM 865 O CYS A 91 10.586 0.156 -2.014 1.00 0.08 O ATOM 866 CB CYS A 91 9.261 -1.630 -4.327 1.00 0.05 C ATOM 867 SG CYS A 91 10.634 -0.788 -5.142 1.00 0.06 S ATOM 0 H CYS A 91 8.542 0.797 -4.033 1.00 0.05 H new ATOM 0 HA CYS A 91 8.027 -1.648 -2.605 1.00 0.05 H new ATOM 0 HB2 CYS A 91 9.548 -2.665 -4.139 1.00 0.05 H new ATOM 0 HB3 CYS A 91 8.412 -1.654 -5.010 1.00 0.05 H new ATOM 872 N LYS A 92 10.230 -1.913 -1.270 1.00 0.11 N ATOM 873 CA LYS A 92 11.313 -1.880 -0.323 1.00 0.13 C ATOM 874 C LYS A 92 12.664 -1.410 -0.960 1.00 0.13 C ATOM 875 O LYS A 92 13.305 -0.538 -0.369 1.00 0.14 O ATOM 876 CB LYS A 92 11.449 -3.257 0.328 1.00 0.17 C ATOM 877 CG LYS A 92 10.193 -3.704 1.070 1.00 0.24 C ATOM 878 CD LYS A 92 10.369 -5.091 1.639 1.00 0.30 C ATOM 879 CE LYS A 92 9.162 -5.546 2.452 1.00 1.36 C ATOM 880 NZ LYS A 92 8.831 -4.629 3.577 1.00 2.19 N ATOM 0 H LYS A 92 9.711 -2.791 -1.283 1.00 0.11 H new ATOM 0 HA LYS A 92 11.076 -1.137 0.439 1.00 0.13 H new ATOM 0 HB2 LYS A 92 11.689 -3.992 -0.441 1.00 0.17 H new ATOM 0 HB3 LYS A 92 12.287 -3.240 1.025 1.00 0.17 H new ATOM 0 HG2 LYS A 92 9.971 -3.002 1.874 1.00 0.24 H new ATOM 0 HG3 LYS A 92 9.340 -3.690 0.391 1.00 0.24 H new ATOM 0 HD2 LYS A 92 10.541 -5.795 0.825 1.00 0.30 H new ATOM 0 HD3 LYS A 92 11.257 -5.111 2.271 1.00 0.30 H new ATOM 0 HE2 LYS A 92 8.298 -5.627 1.792 1.00 1.36 H new ATOM 0 HE3 LYS A 92 9.355 -6.543 2.849 1.00 1.36 H new ATOM 0 HZ1 LYS A 92 8.641 -5.186 4.434 1.00 2.19 H new ATOM 0 HZ2 LYS A 92 9.632 -3.989 3.750 1.00 2.19 H new ATOM 0 HZ3 LYS A 92 7.988 -4.070 3.333 1.00 2.19 H new ATOM 894 N PRO A 93 13.091 -1.895 -2.186 1.00 0.13 N ATOM 895 CA PRO A 93 14.313 -1.375 -2.825 1.00 0.14 C ATOM 896 C PRO A 93 14.244 0.156 -3.056 1.00 0.13 C ATOM 897 O PRO A 93 15.146 0.890 -2.660 1.00 0.14 O ATOM 898 CB PRO A 93 14.361 -2.109 -4.167 1.00 0.14 C ATOM 899 CG PRO A 93 13.563 -3.346 -3.955 1.00 0.14 C ATOM 900 CD PRO A 93 12.479 -2.980 -3.003 1.00 0.13 C ATOM 0 HA PRO A 93 15.195 -1.538 -2.205 1.00 0.14 H new ATOM 0 HB2 PRO A 93 13.940 -1.499 -4.966 1.00 0.14 H new ATOM 0 HB3 PRO A 93 15.386 -2.344 -4.452 1.00 0.14 H new ATOM 0 HG2 PRO A 93 13.149 -3.709 -4.896 1.00 0.14 H new ATOM 0 HG3 PRO A 93 14.184 -4.146 -3.550 1.00 0.14 H new ATOM 0 HD2 PRO A 93 11.586 -2.636 -3.524 1.00 0.13 H new ATOM 0 HD3 PRO A 93 12.182 -3.828 -2.387 1.00 0.13 H new ATOM 908 N HIS A 94 13.144 0.640 -3.636 1.00 0.11 N ATOM 909 CA HIS A 94 12.987 2.087 -3.882 1.00 0.11 C ATOM 910 C HIS A 94 12.818 2.870 -2.605 1.00 0.12 C ATOM 911 O HIS A 94 13.252 4.000 -2.507 1.00 0.13 O ATOM 912 CB HIS A 94 11.857 2.430 -4.875 1.00 0.09 C ATOM 913 CG HIS A 94 12.222 2.227 -6.305 1.00 0.10 C ATOM 914 ND1 HIS A 94 11.289 1.915 -7.262 1.00 0.09 N ATOM 915 CD2 HIS A 94 13.426 2.338 -6.877 1.00 0.12 C ATOM 916 CE1 HIS A 94 11.961 1.838 -8.401 1.00 0.10 C ATOM 917 NE2 HIS A 94 13.267 2.087 -8.218 1.00 0.12 N ATOM 0 H HIS A 94 12.357 0.068 -3.942 1.00 0.11 H new ATOM 0 HA HIS A 94 13.923 2.389 -4.351 1.00 0.11 H new ATOM 0 HB2 HIS A 94 10.986 1.818 -4.643 1.00 0.09 H new ATOM 0 HB3 HIS A 94 11.564 3.470 -4.730 1.00 0.09 H new ATOM 0 HD2 HIS A 94 14.352 2.580 -6.377 1.00 0.12 H new ATOM 0 HE1 HIS A 94 11.514 1.604 -9.356 1.00 0.10 H new ATOM 0 HE2 HIS A 94 13.996 2.089 -8.932 1.00 0.12 H new ATOM 925 N PHE A 95 12.186 2.271 -1.648 1.00 0.13 N ATOM 926 CA PHE A 95 11.962 2.871 -0.355 1.00 0.16 C ATOM 927 C PHE A 95 13.323 3.130 0.289 1.00 0.19 C ATOM 928 O PHE A 95 13.584 4.211 0.812 1.00 0.22 O ATOM 929 CB PHE A 95 11.136 1.886 0.475 1.00 0.19 C ATOM 930 CG PHE A 95 10.465 2.421 1.698 1.00 0.22 C ATOM 931 CD1 PHE A 95 9.714 3.573 1.642 1.00 0.29 C ATOM 932 CD2 PHE A 95 10.546 1.739 2.895 1.00 0.27 C ATOM 933 CE1 PHE A 95 9.060 4.042 2.752 1.00 0.35 C ATOM 934 CE2 PHE A 95 9.884 2.194 4.012 1.00 0.33 C ATOM 935 CZ PHE A 95 9.140 3.355 3.942 1.00 0.34 C ATOM 0 H PHE A 95 11.800 1.331 -1.737 1.00 0.13 H new ATOM 0 HA PHE A 95 11.424 3.816 -0.427 1.00 0.16 H new ATOM 0 HB2 PHE A 95 10.370 1.459 -0.172 1.00 0.19 H new ATOM 0 HB3 PHE A 95 11.790 1.068 0.778 1.00 0.19 H new ATOM 0 HD1 PHE A 95 9.639 4.115 0.711 1.00 0.29 H new ATOM 0 HD2 PHE A 95 11.136 0.837 2.956 1.00 0.27 H new ATOM 0 HE1 PHE A 95 8.481 4.952 2.693 1.00 0.35 H new ATOM 0 HE2 PHE A 95 9.946 1.645 4.940 1.00 0.33 H new ATOM 0 HZ PHE A 95 8.623 3.722 4.817 1.00 0.34 H new ATOM 945 N GLN A 96 14.185 2.136 0.228 1.00 0.20 N ATOM 946 CA GLN A 96 15.543 2.241 0.735 1.00 0.23 C ATOM 947 C GLN A 96 16.406 3.236 -0.054 1.00 0.23 C ATOM 948 O GLN A 96 17.145 4.014 0.531 1.00 0.26 O ATOM 949 CB GLN A 96 16.218 0.878 0.818 1.00 0.26 C ATOM 950 CG GLN A 96 15.539 -0.081 1.787 1.00 0.41 C ATOM 951 CD GLN A 96 16.229 -1.429 1.881 1.00 0.70 C ATOM 952 OE1 GLN A 96 15.587 -2.463 2.120 1.00 1.18 O ATOM 953 NE2 GLN A 96 17.521 -1.434 1.722 1.00 1.58 N ATOM 0 H GLN A 96 13.964 1.226 -0.177 1.00 0.20 H new ATOM 0 HA GLN A 96 15.454 2.640 1.746 1.00 0.23 H new ATOM 0 HB2 GLN A 96 16.233 0.428 -0.175 1.00 0.26 H new ATOM 0 HB3 GLN A 96 17.256 1.014 1.122 1.00 0.26 H new ATOM 0 HG2 GLN A 96 15.510 0.374 2.777 1.00 0.41 H new ATOM 0 HG3 GLN A 96 14.506 -0.231 1.475 1.00 0.41 H new ATOM 0 HE21 GLN A 96 18.014 -0.563 1.527 1.00 1.58 H new ATOM 0 HE22 GLN A 96 18.040 -2.309 1.793 1.00 1.58 H new ATOM 962 N GLN A 97 16.338 3.188 -1.377 1.00 0.21 N ATOM 963 CA GLN A 97 17.156 4.050 -2.202 1.00 0.22 C ATOM 964 C GLN A 97 16.666 5.515 -2.223 1.00 0.24 C ATOM 965 O GLN A 97 17.416 6.443 -1.910 1.00 0.28 O ATOM 966 CB GLN A 97 17.138 3.499 -3.629 1.00 0.22 C ATOM 967 CG GLN A 97 17.795 2.137 -3.802 1.00 0.27 C ATOM 968 CD GLN A 97 17.677 1.587 -5.222 1.00 0.35 C ATOM 969 OE1 GLN A 97 16.705 1.860 -5.948 1.00 1.06 O ATOM 970 NE2 GLN A 97 18.648 0.818 -5.631 1.00 1.29 N ATOM 0 H GLN A 97 15.724 2.561 -1.897 1.00 0.21 H new ATOM 0 HA GLN A 97 18.161 4.059 -1.779 1.00 0.22 H new ATOM 0 HB2 GLN A 97 16.103 3.431 -3.963 1.00 0.22 H new ATOM 0 HB3 GLN A 97 17.638 4.212 -4.284 1.00 0.22 H new ATOM 0 HG2 GLN A 97 18.849 2.213 -3.535 1.00 0.27 H new ATOM 0 HG3 GLN A 97 17.341 1.431 -3.107 1.00 0.27 H new ATOM 0 HE21 GLN A 97 19.432 0.613 -5.011 1.00 1.29 H new ATOM 0 HE22 GLN A 97 18.624 0.422 -6.571 1.00 1.29 H new ATOM 979 N LEU A 98 15.417 5.696 -2.547 1.00 0.21 N ATOM 980 CA LEU A 98 14.814 7.008 -2.714 1.00 0.24 C ATOM 981 C LEU A 98 14.420 7.698 -1.422 1.00 0.26 C ATOM 982 O LEU A 98 14.620 8.899 -1.275 1.00 0.32 O ATOM 983 CB LEU A 98 13.639 6.899 -3.643 1.00 0.20 C ATOM 984 CG LEU A 98 13.991 6.595 -5.094 1.00 0.24 C ATOM 985 CD1 LEU A 98 12.804 6.043 -5.782 1.00 0.21 C ATOM 986 CD2 LEU A 98 14.446 7.856 -5.814 1.00 0.28 C ATOM 0 H LEU A 98 14.768 4.926 -2.708 1.00 0.21 H new ATOM 0 HA LEU A 98 15.586 7.648 -3.142 1.00 0.24 H new ATOM 0 HB2 LEU A 98 12.975 6.117 -3.275 1.00 0.20 H new ATOM 0 HB3 LEU A 98 13.080 7.834 -3.609 1.00 0.20 H new ATOM 0 HG LEU A 98 14.805 5.870 -5.109 1.00 0.24 H new ATOM 0 HD11 LEU A 98 13.054 5.825 -6.820 1.00 0.21 H new ATOM 0 HD12 LEU A 98 12.489 5.126 -5.284 1.00 0.21 H new ATOM 0 HD13 LEU A 98 11.993 6.771 -5.749 1.00 0.21 H new ATOM 0 HD21 LEU A 98 14.692 7.616 -6.848 1.00 0.28 H new ATOM 0 HD22 LEU A 98 13.645 8.595 -5.794 1.00 0.28 H new ATOM 0 HD23 LEU A 98 15.327 8.261 -5.316 1.00 0.28 H new ATOM 998 N PHE A 99 13.826 6.956 -0.500 1.00 0.25 N ATOM 999 CA PHE A 99 13.355 7.565 0.744 1.00 0.32 C ATOM 1000 C PHE A 99 14.333 7.345 1.889 1.00 0.35 C ATOM 1001 O PHE A 99 14.263 8.005 2.937 1.00 0.54 O ATOM 1002 CB PHE A 99 11.968 7.022 1.139 1.00 0.35 C ATOM 1003 CG PHE A 99 10.801 7.504 0.311 1.00 0.38 C ATOM 1004 CD1 PHE A 99 10.949 8.507 -0.635 1.00 0.62 C ATOM 1005 CD2 PHE A 99 9.540 6.944 0.482 1.00 0.44 C ATOM 1006 CE1 PHE A 99 9.878 8.931 -1.381 1.00 0.64 C ATOM 1007 CE2 PHE A 99 8.470 7.377 -0.271 1.00 0.47 C ATOM 1008 CZ PHE A 99 8.646 8.371 -1.201 1.00 0.42 C ATOM 0 H PHE A 99 13.659 5.953 -0.581 1.00 0.25 H new ATOM 0 HA PHE A 99 13.279 8.636 0.558 1.00 0.32 H new ATOM 0 HB2 PHE A 99 11.999 5.934 1.086 1.00 0.35 H new ATOM 0 HB3 PHE A 99 11.781 7.285 2.180 1.00 0.35 H new ATOM 0 HD1 PHE A 99 11.918 8.960 -0.786 1.00 0.62 H new ATOM 0 HD2 PHE A 99 9.397 6.161 1.213 1.00 0.44 H new ATOM 0 HE1 PHE A 99 10.011 9.712 -2.115 1.00 0.64 H new ATOM 0 HE2 PHE A 99 7.495 6.935 -0.130 1.00 0.47 H new ATOM 0 HZ PHE A 99 7.808 8.711 -1.792 1.00 0.42 H new ATOM 1018 N LYS A 100 15.245 6.394 1.651 1.00 0.30 N ATOM 1019 CA LYS A 100 16.257 5.943 2.585 1.00 0.37 C ATOM 1020 C LYS A 100 15.596 5.434 3.853 1.00 0.60 C ATOM 1021 O LYS A 100 15.928 5.825 4.963 1.00 1.48 O ATOM 1022 CB LYS A 100 17.335 7.013 2.857 1.00 0.79 C ATOM 1023 CG LYS A 100 18.540 6.472 3.628 1.00 1.70 C ATOM 1024 CD LYS A 100 19.603 7.529 3.886 1.00 2.17 C ATOM 1025 CE LYS A 100 20.157 8.084 2.588 1.00 3.02 C ATOM 1026 NZ LYS A 100 21.275 9.010 2.814 1.00 3.68 N ATOM 0 H LYS A 100 15.291 5.902 0.758 1.00 0.30 H new ATOM 0 HA LYS A 100 16.797 5.113 2.130 1.00 0.37 H new ATOM 0 HB2 LYS A 100 17.675 7.426 1.907 1.00 0.79 H new ATOM 0 HB3 LYS A 100 16.890 7.833 3.420 1.00 0.79 H new ATOM 0 HG2 LYS A 100 18.202 6.064 4.581 1.00 1.70 H new ATOM 0 HG3 LYS A 100 18.983 5.648 3.068 1.00 1.70 H new ATOM 0 HD2 LYS A 100 19.177 8.339 4.477 1.00 2.17 H new ATOM 0 HD3 LYS A 100 20.413 7.097 4.474 1.00 2.17 H new ATOM 0 HE2 LYS A 100 20.491 7.261 1.956 1.00 3.02 H new ATOM 0 HE3 LYS A 100 19.364 8.600 2.047 1.00 3.02 H new ATOM 0 HZ1 LYS A 100 21.622 9.365 1.900 1.00 3.68 H new ATOM 0 HZ2 LYS A 100 20.952 9.809 3.395 1.00 3.68 H new ATOM 0 HZ3 LYS A 100 22.044 8.512 3.307 1.00 3.68 H new ATOM 1040 N SER A 101 14.637 4.574 3.674 1.00 0.82 N ATOM 1041 CA SER A 101 13.921 4.058 4.784 1.00 1.14 C ATOM 1042 C SER A 101 14.235 2.560 4.968 1.00 0.92 C ATOM 1043 O SER A 101 15.242 2.067 4.444 1.00 1.67 O ATOM 1044 CB SER A 101 12.432 4.339 4.618 1.00 1.78 C ATOM 1045 OG SER A 101 11.729 4.117 5.838 1.00 2.59 O ATOM 0 H SER A 101 14.338 4.220 2.765 1.00 0.82 H new ATOM 0 HA SER A 101 14.239 4.559 5.698 1.00 1.14 H new ATOM 0 HB2 SER A 101 12.287 5.369 4.293 1.00 1.78 H new ATOM 0 HB3 SER A 101 12.023 3.698 3.837 1.00 1.78 H new ATOM 0 HG SER A 101 10.906 3.617 5.655 1.00 2.59 H new ATOM 1051 N LYS A 102 13.382 1.851 5.689 1.00 1.04 N ATOM 1052 CA LYS A 102 13.674 0.493 6.111 1.00 0.85 C ATOM 1053 C LYS A 102 13.756 -0.580 5.016 1.00 0.79 C ATOM 1054 O LYS A 102 14.760 -1.285 4.955 1.00 1.68 O ATOM 1055 CB LYS A 102 12.798 0.029 7.284 1.00 1.88 C ATOM 1056 CG LYS A 102 11.307 -0.071 6.984 1.00 2.59 C ATOM 1057 CD LYS A 102 10.512 -0.504 8.212 1.00 3.33 C ATOM 1058 CE LYS A 102 10.948 -1.876 8.730 1.00 4.31 C ATOM 1059 NZ LYS A 102 10.168 -2.287 9.915 1.00 4.85 N ATOM 0 H LYS A 102 12.474 2.199 5.996 1.00 1.04 H new ATOM 0 HA LYS A 102 14.704 0.587 6.455 1.00 0.85 H new ATOM 0 HB2 LYS A 102 13.151 -0.947 7.616 1.00 1.88 H new ATOM 0 HB3 LYS A 102 12.939 0.719 8.116 1.00 1.88 H new ATOM 0 HG2 LYS A 102 10.940 0.894 6.635 1.00 2.59 H new ATOM 0 HG3 LYS A 102 11.145 -0.784 6.176 1.00 2.59 H new ATOM 0 HD2 LYS A 102 10.636 0.237 9.002 1.00 3.33 H new ATOM 0 HD3 LYS A 102 9.451 -0.532 7.964 1.00 3.33 H new ATOM 0 HE2 LYS A 102 10.828 -2.618 7.940 1.00 4.31 H new ATOM 0 HE3 LYS A 102 12.008 -1.849 8.984 1.00 4.31 H new ATOM 0 HZ1 LYS A 102 10.492 -3.221 10.237 1.00 4.85 H new ATOM 0 HZ2 LYS A 102 10.302 -1.592 10.677 1.00 4.85 H new ATOM 0 HZ3 LYS A 102 9.159 -2.337 9.666 1.00 4.85 H new ATOM 1073 N GLY A 103 12.736 -0.718 4.144 1.00 0.81 N ATOM 1074 CA GLY A 103 12.752 -1.808 3.239 1.00 1.93 C ATOM 1075 C GLY A 103 12.407 -3.075 3.975 1.00 2.25 C ATOM 1076 O GLY A 103 11.226 -3.342 4.222 1.00 2.66 O ATOM 0 H GLY A 103 11.932 -0.095 4.072 1.00 0.81 H new ATOM 0 HA2 GLY A 103 12.038 -1.637 2.434 1.00 1.93 H new ATOM 0 HA3 GLY A 103 13.736 -1.898 2.779 1.00 1.93 H new ATOM 1080 N ASN A 104 13.433 -3.816 4.369 1.00 2.63 N ATOM 1081 CA ASN A 104 13.291 -5.072 5.129 1.00 2.95 C ATOM 1082 C ASN A 104 14.653 -5.701 5.315 1.00 3.69 C ATOM 1083 O ASN A 104 14.975 -6.224 6.376 1.00 4.12 O ATOM 1084 CB ASN A 104 12.398 -6.092 4.397 1.00 3.02 C ATOM 1085 CG ASN A 104 12.125 -7.367 5.191 1.00 3.71 C ATOM 1086 OD1 ASN A 104 12.051 -8.458 4.617 1.00 4.38 O ATOM 1087 ND2 ASN A 104 11.902 -7.246 6.474 1.00 4.01 N ATOM 0 H ASN A 104 14.403 -3.568 4.173 1.00 2.63 H new ATOM 0 HA ASN A 104 12.831 -4.822 6.085 1.00 2.95 H new ATOM 0 HB2 ASN A 104 11.447 -5.618 4.155 1.00 3.02 H new ATOM 0 HB3 ASN A 104 12.871 -6.360 3.452 1.00 3.02 H new ATOM 0 HD21 ASN A 104 11.659 -8.067 7.029 1.00 4.01 H new ATOM 0 HD22 ASN A 104 11.971 -6.331 6.920 1.00 4.01 H new ATOM 1094 N TYR A 105 15.455 -5.627 4.283 1.00 4.27 N ATOM 1095 CA TYR A 105 16.749 -6.265 4.286 1.00 5.20 C ATOM 1096 C TYR A 105 17.853 -5.235 4.444 1.00 5.64 C ATOM 1097 O TYR A 105 17.590 -4.031 4.442 1.00 6.11 O ATOM 1098 CB TYR A 105 16.940 -7.115 3.009 1.00 5.97 C ATOM 1099 CG TYR A 105 16.969 -6.350 1.689 1.00 6.72 C ATOM 1100 CD1 TYR A 105 15.837 -5.707 1.194 1.00 7.31 C ATOM 1101 CD2 TYR A 105 18.133 -6.286 0.936 1.00 7.14 C ATOM 1102 CE1 TYR A 105 15.870 -5.025 -0.003 1.00 8.24 C ATOM 1103 CE2 TYR A 105 18.169 -5.610 -0.264 1.00 8.08 C ATOM 1104 CZ TYR A 105 17.036 -4.984 -0.729 1.00 8.62 C ATOM 1105 OH TYR A 105 17.073 -4.310 -1.929 1.00 9.70 O ATOM 0 H TYR A 105 15.233 -5.127 3.422 1.00 4.27 H new ATOM 0 HA TYR A 105 16.803 -6.939 5.141 1.00 5.20 H new ATOM 0 HB2 TYR A 105 17.873 -7.671 3.104 1.00 5.97 H new ATOM 0 HB3 TYR A 105 16.135 -7.849 2.962 1.00 5.97 H new ATOM 0 HD1 TYR A 105 14.917 -5.744 1.758 1.00 7.31 H new ATOM 0 HD2 TYR A 105 19.026 -6.775 1.297 1.00 7.14 H new ATOM 0 HE1 TYR A 105 14.985 -4.526 -0.368 1.00 8.24 H new ATOM 0 HE2 TYR A 105 19.083 -5.572 -0.837 1.00 8.08 H new ATOM 0 HH TYR A 105 17.972 -4.377 -2.314 1.00 9.70 H new ATOM 1115 N ASP A 106 19.062 -5.706 4.596 1.00 5.76 N ATOM 1116 CA ASP A 106 20.224 -4.850 4.792 1.00 6.37 C ATOM 1117 C ASP A 106 21.306 -5.199 3.794 1.00 7.20 C ATOM 1118 O ASP A 106 21.974 -6.239 3.919 1.00 7.66 O ATOM 1119 CB ASP A 106 20.765 -5.019 6.217 1.00 6.33 C ATOM 1120 CG ASP A 106 22.039 -4.235 6.487 1.00 6.96 C ATOM 1121 OD1 ASP A 106 21.954 -3.044 6.816 1.00 7.31 O ATOM 1122 OD2 ASP A 106 23.148 -4.822 6.433 1.00 7.36 O ATOM 0 H ASP A 106 19.280 -6.702 4.589 1.00 5.76 H new ATOM 0 HA ASP A 106 19.922 -3.813 4.641 1.00 6.37 H new ATOM 0 HB2 ASP A 106 19.999 -4.705 6.926 1.00 6.33 H new ATOM 0 HB3 ASP A 106 20.955 -6.077 6.401 1.00 6.33 H new ATOM 1127 N GLU A 107 21.439 -4.395 2.789 1.00 7.67 N ATOM 1128 CA GLU A 107 22.461 -4.571 1.801 1.00 8.69 C ATOM 1129 C GLU A 107 22.825 -3.193 1.282 1.00 9.33 C ATOM 1130 O GLU A 107 22.269 -2.757 0.259 1.00 9.71 O ATOM 1131 CB GLU A 107 21.961 -5.491 0.672 1.00 9.08 C ATOM 1132 CG GLU A 107 22.998 -5.830 -0.388 1.00 9.64 C ATOM 1133 CD GLU A 107 22.412 -6.663 -1.493 1.00 10.27 C ATOM 1134 OE1 GLU A 107 21.694 -6.115 -2.344 1.00 10.67 O ATOM 1135 OE2 GLU A 107 22.649 -7.888 -1.525 1.00 10.54 O ATOM 1136 OXT GLU A 107 23.597 -2.494 1.966 1.00 9.65 O ATOM 0 H GLU A 107 20.836 -3.588 2.627 1.00 7.67 H new ATOM 0 HA GLU A 107 23.343 -5.050 2.227 1.00 8.69 H new ATOM 0 HB2 GLU A 107 21.598 -6.419 1.114 1.00 9.08 H new ATOM 0 HB3 GLU A 107 21.109 -5.015 0.186 1.00 9.08 H new ATOM 0 HG2 GLU A 107 23.407 -4.909 -0.804 1.00 9.64 H new ATOM 0 HG3 GLU A 107 23.827 -6.368 0.073 1.00 9.64 H new TER 1143 GLU A 107 HETATM 1144 ZN ZN A 201 -7.733 0.813 -4.523 1.00 0.07 ZN HETATM 1145 ZN ZN A 202 9.899 0.570 -6.851 1.00 0.07 ZN