USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 737 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 46 HIS :FLIP no HD1:sc= -2.43! F(o=-6.6,f=-4.4!) USER MOD Set 1.2: A 61 ASN : amide:sc= -1.81! C(o=-4.4!,f=-5.1!) USER MOD Set 1.3: A 62 THR OG1 : rot 90:sc= -0.196! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -131:sc= -0.103 (180deg=-0.673) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.204 K(o=-0.2,f=-1.5!) USER MOD Single : A 30 HIS : no HD1:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00426 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN :FLIP amide:sc= -0.128 F(o=-0.67,f=-0.13) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -21:sc= 1.62 USER MOD Single : A 52 ASN : amide:sc= -0.151 K(o=-0.15,f=-2.4!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 66 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.27) USER MOD Single : A 69 THR OG1 : rot -66:sc= 1.11 USER MOD Single : A 73 GLN : amide:sc= -3.74! C(o=-3.7!,f=-5.9!) USER MOD Single : A 74 SER OG : rot -42:sc= -0.0299! USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN :FLIP amide:sc= -5.17! C(o=-8.2!,f=-5.2!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN :FLIP amide:sc= -2.56 F(o=-8.1!,f=-2.6) USER MOD Single : A 95 THR OG1 : rot -140:sc= -2.74! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -4.17! C(o=-4.2!,f=-7.6!) USER MOD Single : A 100 TYR OH : rot 180:sc= -1.18 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.956 USER MOD Single : A 111 SER OG : rot 180:sc= 0.195 USER MOD Single : A 114 ASN : amide:sc= -1.81 X(o=-1.8,f=-1.3) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.4) USER MOD Single : A 125 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0114) USER MOD Single : A 126 GLN : amide:sc= -0.019 X(o=-0.019,f=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 -24.812 27.462 65.333 1.00 0.00 N ATOM 2 CA GLY A 15 -24.612 27.436 63.895 1.00 0.00 C ATOM 3 C GLY A 15 -23.196 27.883 63.529 1.00 0.00 C ATOM 4 O GLY A 15 -22.228 27.170 63.791 1.00 0.00 O ATOM 0 HA2 GLY A 15 -24.788 26.428 63.518 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -25.339 28.088 63.412 1.00 0.00 H new ATOM 8 N SER A 16 -23.118 29.063 62.929 1.00 0.00 N ATOM 9 CA SER A 16 -21.835 29.613 62.526 1.00 0.00 C ATOM 10 C SER A 16 -21.217 28.748 61.426 1.00 0.00 C ATOM 11 O SER A 16 -20.634 27.702 61.709 1.00 0.00 O ATOM 12 CB SER A 16 -20.881 29.719 63.717 1.00 0.00 C ATOM 13 OG SER A 16 -19.635 30.305 63.353 1.00 0.00 O ATOM 0 H SER A 16 -23.922 29.652 62.713 1.00 0.00 H new ATOM 0 HA SER A 16 -22.001 30.618 62.139 1.00 0.00 H new ATOM 0 HB2 SER A 16 -21.346 30.315 64.502 1.00 0.00 H new ATOM 0 HB3 SER A 16 -20.707 28.726 64.132 1.00 0.00 H new ATOM 0 HG SER A 16 -19.055 30.356 64.141 1.00 0.00 H new ATOM 18 N GLY A 17 -21.364 29.216 60.196 1.00 0.00 N ATOM 19 CA GLY A 17 -20.828 28.498 59.052 1.00 0.00 C ATOM 20 C GLY A 17 -19.673 29.271 58.412 1.00 0.00 C ATOM 21 O GLY A 17 -19.045 30.106 59.062 1.00 0.00 O ATOM 0 H GLY A 17 -21.847 30.084 59.966 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -20.482 27.513 59.366 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -21.616 28.339 58.316 1.00 0.00 H new ATOM 25 N MET A 18 -19.428 28.964 57.147 1.00 0.00 N ATOM 26 CA MET A 18 -18.359 29.620 56.411 1.00 0.00 C ATOM 27 C MET A 18 -18.729 29.784 54.936 1.00 0.00 C ATOM 28 O MET A 18 -19.733 29.240 54.480 1.00 0.00 O ATOM 29 CB MET A 18 -17.077 28.793 56.528 1.00 0.00 C ATOM 30 CG MET A 18 -16.198 29.303 57.672 1.00 0.00 C ATOM 31 SD MET A 18 -16.399 28.262 59.108 1.00 0.00 S ATOM 32 CE MET A 18 -16.296 29.491 60.399 1.00 0.00 C ATOM 0 H MET A 18 -19.951 28.270 56.612 1.00 0.00 H new ATOM 0 HA MET A 18 -18.203 30.610 56.839 1.00 0.00 H new ATOM 0 HB2 MET A 18 -17.329 27.746 56.697 1.00 0.00 H new ATOM 0 HB3 MET A 18 -16.523 28.840 55.590 1.00 0.00 H new ATOM 0 HG2 MET A 18 -15.153 29.312 57.362 1.00 0.00 H new ATOM 0 HG3 MET A 18 -16.466 30.331 57.917 1.00 0.00 H new ATOM 0 HE1 MET A 18 -15.591 29.160 61.161 1.00 0.00 H new ATOM 0 HE2 MET A 18 -15.955 30.436 59.976 1.00 0.00 H new ATOM 0 HE3 MET A 18 -17.279 29.629 60.849 1.00 0.00 H new ATOM 40 N LYS A 19 -17.898 30.538 54.231 1.00 0.00 N ATOM 41 CA LYS A 19 -18.125 30.780 52.817 1.00 0.00 C ATOM 42 C LYS A 19 -16.900 31.476 52.221 1.00 0.00 C ATOM 43 O LYS A 19 -16.246 32.273 52.891 1.00 0.00 O ATOM 44 CB LYS A 19 -19.431 31.549 52.608 1.00 0.00 C ATOM 45 CG LYS A 19 -19.880 31.481 51.147 1.00 0.00 C ATOM 46 CD LYS A 19 -21.248 30.811 51.023 1.00 0.00 C ATOM 47 CE LYS A 19 -21.948 31.227 49.727 1.00 0.00 C ATOM 48 NZ LYS A 19 -22.094 30.065 48.821 1.00 0.00 N ATOM 0 H LYS A 19 -17.067 30.989 54.613 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.248 29.837 52.284 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -20.208 31.135 53.250 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -19.295 32.590 52.902 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.925 32.487 50.730 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.146 30.926 50.563 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -21.129 29.728 51.045 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -21.868 31.081 51.878 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -22.929 31.644 49.954 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -21.375 32.011 49.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -22.571 30.364 47.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -21.154 29.685 48.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -22.660 29.329 49.289 1.00 0.00 H new ATOM 58 N GLU A 20 -16.626 31.149 50.966 1.00 0.00 N ATOM 59 CA GLU A 20 -15.490 31.733 50.271 1.00 0.00 C ATOM 60 C GLU A 20 -15.331 31.099 48.888 1.00 0.00 C ATOM 61 O GLU A 20 -15.567 29.903 48.718 1.00 0.00 O ATOM 62 CB GLU A 20 -14.209 31.583 51.093 1.00 0.00 C ATOM 63 CG GLU A 20 -13.732 32.941 51.616 1.00 0.00 C ATOM 64 CD GLU A 20 -12.420 33.355 50.947 1.00 0.00 C ATOM 65 OE1 GLU A 20 -12.334 33.186 49.712 1.00 0.00 O ATOM 66 OE2 GLU A 20 -11.531 33.831 51.688 1.00 0.00 O ATOM 0 H GLU A 20 -17.171 30.488 50.413 1.00 0.00 H new ATOM 0 HA GLU A 20 -15.677 32.799 50.141 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.387 30.908 51.931 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.430 31.131 50.480 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.495 33.696 51.427 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.594 32.891 52.696 1.00 0.00 H new ATOM 71 N THR A 21 -14.934 31.929 47.933 1.00 0.00 N ATOM 72 CA THR A 21 -14.742 31.465 46.570 1.00 0.00 C ATOM 73 C THR A 21 -14.115 32.567 45.715 1.00 0.00 C ATOM 74 O THR A 21 -14.338 33.751 45.962 1.00 0.00 O ATOM 75 CB THR A 21 -16.092 30.978 46.041 1.00 0.00 C ATOM 76 OG1 THR A 21 -15.800 30.499 44.731 1.00 0.00 O ATOM 77 CG2 THR A 21 -17.076 32.126 45.807 1.00 0.00 C ATOM 0 H THR A 21 -14.740 32.920 48.077 1.00 0.00 H new ATOM 0 HA THR A 21 -14.042 30.630 46.531 1.00 0.00 H new ATOM 0 HB THR A 21 -16.523 30.267 46.746 1.00 0.00 H new ATOM 0 HG1 THR A 21 -16.621 30.162 44.315 1.00 0.00 H new ATOM 0 HG21 THR A 21 -18.018 31.727 45.432 1.00 0.00 H new ATOM 0 HG22 THR A 21 -17.253 32.651 46.746 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.659 32.819 45.076 1.00 0.00 H new ATOM 85 N ALA A 22 -13.343 32.139 44.727 1.00 0.00 N ATOM 86 CA ALA A 22 -12.682 33.075 43.834 1.00 0.00 C ATOM 87 C ALA A 22 -12.281 32.349 42.548 1.00 0.00 C ATOM 88 O ALA A 22 -12.247 31.121 42.509 1.00 0.00 O ATOM 89 CB ALA A 22 -11.483 33.702 44.548 1.00 0.00 C ATOM 0 H ALA A 22 -13.160 31.156 44.525 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.357 33.885 43.559 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.987 34.404 43.878 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.825 34.230 45.438 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.782 32.919 44.837 1.00 0.00 H new ATOM 95 N ALA A 23 -11.988 33.141 41.527 1.00 0.00 N ATOM 96 CA ALA A 23 -11.591 32.591 40.242 1.00 0.00 C ATOM 97 C ALA A 23 -10.971 33.697 39.387 1.00 0.00 C ATOM 98 O ALA A 23 -11.211 34.879 39.626 1.00 0.00 O ATOM 99 CB ALA A 23 -12.801 31.942 39.569 1.00 0.00 C ATOM 0 H ALA A 23 -12.018 34.160 41.564 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.836 31.816 40.374 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.503 31.529 38.605 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.185 31.143 40.203 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.579 32.691 39.419 1.00 0.00 H new ATOM 105 N ALA A 24 -10.184 33.274 38.408 1.00 0.00 N ATOM 106 CA ALA A 24 -9.527 34.215 37.516 1.00 0.00 C ATOM 107 C ALA A 24 -8.702 33.442 36.486 1.00 0.00 C ATOM 108 O ALA A 24 -8.262 32.324 36.750 1.00 0.00 O ATOM 109 CB ALA A 24 -8.676 35.186 38.335 1.00 0.00 C ATOM 0 H ALA A 24 -9.987 32.292 38.213 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.263 34.807 36.972 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.183 35.892 37.666 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.314 35.731 39.031 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.923 34.629 38.893 1.00 0.00 H new ATOM 115 N LYS A 25 -8.516 34.068 35.333 1.00 0.00 N ATOM 116 CA LYS A 25 -7.752 33.454 34.262 1.00 0.00 C ATOM 117 C LYS A 25 -7.623 34.443 33.101 1.00 0.00 C ATOM 118 O LYS A 25 -8.235 35.509 33.118 1.00 0.00 O ATOM 119 CB LYS A 25 -8.372 32.114 33.861 1.00 0.00 C ATOM 120 CG LYS A 25 -7.486 30.946 34.303 1.00 0.00 C ATOM 121 CD LYS A 25 -6.506 30.551 33.197 1.00 0.00 C ATOM 122 CE LYS A 25 -5.554 29.454 33.675 1.00 0.00 C ATOM 123 NZ LYS A 25 -4.188 29.997 33.857 1.00 0.00 N ATOM 0 H LYS A 25 -8.882 34.995 35.118 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.742 33.224 34.599 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.360 32.017 34.312 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.510 32.082 32.780 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.934 31.224 35.201 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.109 30.091 34.564 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.058 30.203 32.324 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.933 31.424 32.885 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.914 29.036 34.615 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.535 28.640 32.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.554 29.239 34.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.841 30.375 32.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.209 30.759 34.565 1.00 0.00 H new ATOM 133 N PHE A 26 -6.822 34.053 32.121 1.00 0.00 N ATOM 134 CA PHE A 26 -6.604 34.891 30.954 1.00 0.00 C ATOM 135 C PHE A 26 -7.077 34.190 29.679 1.00 0.00 C ATOM 136 O PHE A 26 -7.469 33.025 29.715 1.00 0.00 O ATOM 137 CB PHE A 26 -5.098 35.140 30.856 1.00 0.00 C ATOM 138 CG PHE A 26 -4.538 36.023 31.974 1.00 0.00 C ATOM 139 CD1 PHE A 26 -4.867 37.341 32.027 1.00 0.00 C ATOM 140 CD2 PHE A 26 -3.713 35.489 32.914 1.00 0.00 C ATOM 141 CE1 PHE A 26 -4.348 38.161 33.065 1.00 0.00 C ATOM 142 CE2 PHE A 26 -3.194 36.308 33.951 1.00 0.00 C ATOM 143 CZ PHE A 26 -3.523 37.626 34.005 1.00 0.00 C ATOM 0 H PHE A 26 -6.316 33.168 32.111 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.164 35.821 31.055 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.580 34.181 30.871 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.879 35.606 29.895 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.523 37.765 31.281 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.453 34.442 32.872 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.608 39.208 33.108 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.538 35.884 34.697 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.129 38.249 34.795 1.00 0.00 H new ATOM 152 N GLU A 27 -7.026 34.930 28.581 1.00 0.00 N ATOM 153 CA GLU A 27 -7.444 34.395 27.297 1.00 0.00 C ATOM 154 C GLU A 27 -6.338 34.585 26.257 1.00 0.00 C ATOM 155 O GLU A 27 -5.524 35.500 26.371 1.00 0.00 O ATOM 156 CB GLU A 27 -8.750 35.041 26.832 1.00 0.00 C ATOM 157 CG GLU A 27 -8.550 36.528 26.531 1.00 0.00 C ATOM 158 CD GLU A 27 -9.054 36.877 25.130 1.00 0.00 C ATOM 159 OE1 GLU A 27 -8.942 35.995 24.251 1.00 0.00 O ATOM 160 OE2 GLU A 27 -9.541 38.017 24.968 1.00 0.00 O ATOM 0 H GLU A 27 -6.701 35.897 28.555 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.627 33.327 27.413 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.114 34.532 25.940 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.513 34.921 27.601 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.080 37.127 27.272 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.493 36.780 26.614 1.00 0.00 H new ATOM 165 N ARG A 28 -6.345 33.706 25.265 1.00 0.00 N ATOM 166 CA ARG A 28 -5.353 33.765 24.206 1.00 0.00 C ATOM 167 C ARG A 28 -6.038 33.874 22.842 1.00 0.00 C ATOM 168 O ARG A 28 -7.249 33.685 22.735 1.00 0.00 O ATOM 169 CB ARG A 28 -4.456 32.525 24.221 1.00 0.00 C ATOM 170 CG ARG A 28 -3.205 32.764 25.068 1.00 0.00 C ATOM 171 CD ARG A 28 -2.474 31.449 25.350 1.00 0.00 C ATOM 172 NE ARG A 28 -1.627 31.589 26.556 1.00 0.00 N ATOM 173 CZ ARG A 28 -0.963 30.577 27.128 1.00 0.00 C ATOM 174 NH1 ARG A 28 -1.042 29.344 26.608 1.00 0.00 N ATOM 175 NH2 ARG A 28 -0.218 30.796 28.220 1.00 0.00 N ATOM 0 H ARG A 28 -7.022 32.949 25.173 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.737 34.647 24.378 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.011 31.675 24.618 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.166 32.269 23.202 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.537 33.452 24.550 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.484 33.238 26.009 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.196 30.646 25.494 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.859 31.174 24.493 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.544 32.514 26.977 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.608 29.177 25.776 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.536 28.573 27.044 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.157 31.734 28.616 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.288 30.025 28.655 1.00 0.00 H new ATOM 186 N GLN A 29 -5.235 34.177 21.833 1.00 0.00 N ATOM 187 CA GLN A 29 -5.747 34.313 20.481 1.00 0.00 C ATOM 188 C GLN A 29 -5.621 32.986 19.729 1.00 0.00 C ATOM 189 O GLN A 29 -6.609 32.463 19.216 1.00 0.00 O ATOM 190 CB GLN A 29 -5.031 35.437 19.733 1.00 0.00 C ATOM 191 CG GLN A 29 -5.892 35.968 18.584 1.00 0.00 C ATOM 192 CD GLN A 29 -6.451 37.354 18.912 1.00 0.00 C ATOM 193 OE1 GLN A 29 -5.863 38.130 19.647 1.00 0.00 O ATOM 194 NE2 GLN A 29 -7.615 37.619 18.327 1.00 0.00 N ATOM 0 H GLN A 29 -4.231 34.332 21.926 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.803 34.576 20.539 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.800 36.248 20.423 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.082 35.071 19.342 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.297 36.019 17.672 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.713 35.277 18.391 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.052 36.923 17.723 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.071 38.518 18.482 1.00 0.00 H new ATOM 201 N HIS A 30 -4.397 32.480 19.689 1.00 0.00 N ATOM 202 CA HIS A 30 -4.129 31.225 19.008 1.00 0.00 C ATOM 203 C HIS A 30 -4.581 31.324 17.551 1.00 0.00 C ATOM 204 O HIS A 30 -5.330 32.231 17.189 1.00 0.00 O ATOM 205 CB HIS A 30 -4.776 30.055 19.752 1.00 0.00 C ATOM 206 CG HIS A 30 -3.876 28.851 19.904 1.00 0.00 C ATOM 207 ND1 HIS A 30 -3.284 28.506 21.106 1.00 0.00 N ATOM 208 CD2 HIS A 30 -3.476 27.916 18.995 1.00 0.00 C ATOM 209 CE1 HIS A 30 -2.560 27.412 20.918 1.00 0.00 C ATOM 210 NE2 HIS A 30 -2.681 27.048 19.608 1.00 0.00 N ATOM 0 H HIS A 30 -3.580 32.916 20.117 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.057 31.030 19.006 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.084 30.393 20.741 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -5.680 29.756 19.222 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -3.758 27.887 17.953 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -1.977 26.899 21.669 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -2.234 26.242 19.172 1.00 0.00 H new ATOM 217 N MET A 31 -4.109 30.378 16.751 1.00 0.00 N ATOM 218 CA MET A 31 -4.455 30.348 15.341 1.00 0.00 C ATOM 219 C MET A 31 -3.832 29.135 14.649 1.00 0.00 C ATOM 220 O MET A 31 -2.861 28.563 15.145 1.00 0.00 O ATOM 221 CB MET A 31 -3.964 31.630 14.666 1.00 0.00 C ATOM 222 CG MET A 31 -5.018 32.183 13.705 1.00 0.00 C ATOM 223 SD MET A 31 -6.422 32.795 14.624 1.00 0.00 S ATOM 224 CE MET A 31 -7.597 32.996 13.296 1.00 0.00 C ATOM 0 H MET A 31 -3.489 29.626 17.054 1.00 0.00 H new ATOM 0 HA MET A 31 -5.539 30.275 15.254 1.00 0.00 H new ATOM 0 HB2 MET A 31 -3.730 32.378 15.424 1.00 0.00 H new ATOM 0 HB3 MET A 31 -3.041 31.428 14.122 1.00 0.00 H new ATOM 0 HG2 MET A 31 -4.589 32.985 13.104 1.00 0.00 H new ATOM 0 HG3 MET A 31 -5.337 31.403 13.014 1.00 0.00 H new ATOM 0 HE1 MET A 31 -8.538 33.374 13.697 1.00 0.00 H new ATOM 0 HE2 MET A 31 -7.203 33.703 12.566 1.00 0.00 H new ATOM 0 HE3 MET A 31 -7.769 32.034 12.813 1.00 0.00 H new ATOM 232 N ASP A 32 -4.412 28.777 13.514 1.00 0.00 N ATOM 233 CA ASP A 32 -3.926 27.642 12.748 1.00 0.00 C ATOM 234 C ASP A 32 -4.617 27.618 11.384 1.00 0.00 C ATOM 235 O ASP A 32 -5.644 28.268 11.193 1.00 0.00 O ATOM 236 CB ASP A 32 -4.236 26.324 13.460 1.00 0.00 C ATOM 237 CG ASP A 32 -3.010 25.528 13.911 1.00 0.00 C ATOM 238 OD1 ASP A 32 -1.909 26.123 13.895 1.00 0.00 O ATOM 239 OD2 ASP A 32 -3.199 24.343 14.262 1.00 0.00 O ATOM 0 H ASP A 32 -5.216 29.254 13.105 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.847 27.747 12.638 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.853 26.537 14.333 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.831 25.700 12.793 1.00 0.00 H new ATOM 243 N SER A 33 -4.028 26.860 10.471 1.00 0.00 N ATOM 244 CA SER A 33 -4.576 26.742 9.129 1.00 0.00 C ATOM 245 C SER A 33 -5.230 25.371 8.951 1.00 0.00 C ATOM 246 O SER A 33 -4.941 24.438 9.698 1.00 0.00 O ATOM 247 CB SER A 33 -3.491 26.954 8.072 1.00 0.00 C ATOM 248 OG SER A 33 -3.453 28.301 7.609 1.00 0.00 O ATOM 0 H SER A 33 -3.177 26.321 10.633 1.00 0.00 H new ATOM 0 HA SER A 33 -5.331 27.517 8.997 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.520 26.687 8.490 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.670 26.286 7.230 1.00 0.00 H new ATOM 0 HG SER A 33 -2.746 28.396 6.937 1.00 0.00 H new ATOM 253 N PRO A 34 -6.124 25.290 7.929 1.00 0.00 N ATOM 254 CA PRO A 34 -6.822 24.049 7.641 1.00 0.00 C ATOM 255 C PRO A 34 -5.895 23.043 6.957 1.00 0.00 C ATOM 256 O PRO A 34 -4.674 23.186 7.004 1.00 0.00 O ATOM 257 CB PRO A 34 -8.004 24.453 6.776 1.00 0.00 C ATOM 258 CG PRO A 34 -7.666 25.829 6.226 1.00 0.00 C ATOM 259 CD PRO A 34 -6.492 26.374 7.022 1.00 0.00 C ATOM 0 HA PRO A 34 -7.162 23.539 8.543 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.160 23.737 5.969 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.924 24.481 7.360 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.413 25.765 5.168 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -8.525 26.495 6.309 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.662 26.643 6.369 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.770 27.273 7.572 1.00 0.00 H new ATOM 264 N ASP A 35 -6.510 22.049 6.333 1.00 0.00 N ATOM 265 CA ASP A 35 -5.754 21.020 5.639 1.00 0.00 C ATOM 266 C ASP A 35 -6.116 21.044 4.152 1.00 0.00 C ATOM 267 O ASP A 35 -7.294 21.081 3.796 1.00 0.00 O ATOM 268 CB ASP A 35 -6.088 19.630 6.183 1.00 0.00 C ATOM 269 CG ASP A 35 -7.532 19.449 6.654 1.00 0.00 C ATOM 270 OD1 ASP A 35 -8.389 19.210 5.776 1.00 0.00 O ATOM 271 OD2 ASP A 35 -7.746 19.552 7.881 1.00 0.00 O ATOM 0 H ASP A 35 -7.523 21.934 6.293 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.693 21.221 5.789 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.880 18.893 5.407 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.420 19.413 7.016 1.00 0.00 H new ATOM 275 N LEU A 36 -5.082 21.022 3.324 1.00 0.00 N ATOM 276 CA LEU A 36 -5.276 21.041 1.884 1.00 0.00 C ATOM 277 C LEU A 36 -4.306 20.055 1.230 1.00 0.00 C ATOM 278 O LEU A 36 -3.403 20.460 0.498 1.00 0.00 O ATOM 279 CB LEU A 36 -5.158 22.469 1.346 1.00 0.00 C ATOM 280 CG LEU A 36 -6.239 23.449 1.804 1.00 0.00 C ATOM 281 CD1 LEU A 36 -5.647 24.836 2.064 1.00 0.00 C ATOM 282 CD2 LEU A 36 -7.396 23.498 0.804 1.00 0.00 C ATOM 0 H LEU A 36 -4.107 20.991 3.623 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.284 20.712 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.187 22.867 1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.170 22.428 0.257 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.646 23.090 2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.437 25.514 2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.886 24.767 2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.196 25.217 1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.150 24.203 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.023 23.820 -0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.840 22.507 0.713 1.00 0.00 H new ATOM 293 N GLY A 37 -4.524 18.780 1.517 1.00 0.00 N ATOM 294 CA GLY A 37 -3.680 17.734 0.966 1.00 0.00 C ATOM 295 C GLY A 37 -2.256 17.832 1.517 1.00 0.00 C ATOM 296 O GLY A 37 -1.292 17.862 0.753 1.00 0.00 O ATOM 0 H GLY A 37 -5.273 18.448 2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.101 16.758 1.207 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.660 17.813 -0.121 1.00 0.00 H new ATOM 300 N THR A 38 -2.169 17.878 2.838 1.00 0.00 N ATOM 301 CA THR A 38 -0.878 17.971 3.500 1.00 0.00 C ATOM 302 C THR A 38 -0.092 16.671 3.321 1.00 0.00 C ATOM 303 O THR A 38 -0.024 16.128 2.219 1.00 0.00 O ATOM 304 CB THR A 38 -1.124 18.336 4.965 1.00 0.00 C ATOM 305 OG1 THR A 38 -2.085 19.386 4.905 1.00 0.00 O ATOM 306 CG2 THR A 38 0.098 18.984 5.619 1.00 0.00 C ATOM 0 H THR A 38 -2.971 17.853 3.468 1.00 0.00 H new ATOM 0 HA THR A 38 -0.260 18.751 3.055 1.00 0.00 H new ATOM 0 HB THR A 38 -1.401 17.440 5.521 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.303 19.682 5.813 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.129 19.224 6.658 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.940 18.293 5.582 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.355 19.898 5.084 1.00 0.00 H new ATOM 314 N THR A 39 0.483 16.208 4.422 1.00 0.00 N ATOM 315 CA THR A 39 1.261 14.982 4.401 1.00 0.00 C ATOM 316 C THR A 39 0.343 13.769 4.233 1.00 0.00 C ATOM 317 O THR A 39 -0.318 13.350 5.182 1.00 0.00 O ATOM 318 CB THR A 39 2.103 14.934 5.677 1.00 0.00 C ATOM 319 OG1 THR A 39 3.051 15.983 5.507 1.00 0.00 O ATOM 320 CG2 THR A 39 2.958 13.668 5.768 1.00 0.00 C ATOM 0 H THR A 39 0.425 16.661 5.334 1.00 0.00 H new ATOM 0 HA THR A 39 1.937 14.959 3.547 1.00 0.00 H new ATOM 0 HB THR A 39 1.448 14.992 6.546 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.637 16.024 6.291 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.536 13.685 6.692 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.311 12.791 5.760 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.637 13.626 4.917 1.00 0.00 H new ATOM 328 N LEU A 40 0.331 13.240 3.019 1.00 0.00 N ATOM 329 CA LEU A 40 -0.496 12.084 2.713 1.00 0.00 C ATOM 330 C LEU A 40 -1.966 12.441 2.939 1.00 0.00 C ATOM 331 O LEU A 40 -2.545 13.212 2.175 1.00 0.00 O ATOM 332 CB LEU A 40 -0.029 10.866 3.513 1.00 0.00 C ATOM 333 CG LEU A 40 1.183 10.119 2.952 1.00 0.00 C ATOM 334 CD1 LEU A 40 2.473 10.579 3.633 1.00 0.00 C ATOM 335 CD2 LEU A 40 0.989 8.605 3.054 1.00 0.00 C ATOM 0 H LEU A 40 0.881 13.590 2.235 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.392 11.807 1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.206 11.190 4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.860 10.165 3.588 1.00 0.00 H new ATOM 0 HG LEU A 40 1.274 10.361 1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.319 10.033 3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.612 11.647 3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.408 10.386 4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.864 8.098 2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.859 8.324 4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.105 8.312 2.487 1.00 0.00 H new ATOM 346 N LEU A 41 -2.528 11.863 3.990 1.00 0.00 N ATOM 347 CA LEU A 41 -3.920 12.111 4.325 1.00 0.00 C ATOM 348 C LEU A 41 -4.795 11.801 3.109 1.00 0.00 C ATOM 349 O LEU A 41 -5.942 12.243 3.036 1.00 0.00 O ATOM 350 CB LEU A 41 -4.097 13.531 4.865 1.00 0.00 C ATOM 351 CG LEU A 41 -3.114 13.961 5.955 1.00 0.00 C ATOM 352 CD1 LEU A 41 -2.471 15.306 5.613 1.00 0.00 C ATOM 353 CD2 LEU A 41 -3.792 13.982 7.327 1.00 0.00 C ATOM 0 H LEU A 41 -2.045 11.224 4.621 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.243 11.448 5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.013 14.228 4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.109 13.625 5.258 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.313 13.224 6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.776 15.589 6.404 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.932 15.222 4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.246 16.067 5.521 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.071 14.291 8.084 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.625 14.685 7.311 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.163 12.985 7.565 1.00 0.00 H new ATOM 364 N GLU A 42 -4.222 11.046 2.184 1.00 0.00 N ATOM 365 CA GLU A 42 -4.935 10.673 0.974 1.00 0.00 C ATOM 366 C GLU A 42 -4.983 11.853 0.001 1.00 0.00 C ATOM 367 O GLU A 42 -5.954 12.014 -0.738 1.00 0.00 O ATOM 368 CB GLU A 42 -6.344 10.174 1.301 1.00 0.00 C ATOM 369 CG GLU A 42 -6.941 9.402 0.121 1.00 0.00 C ATOM 370 CD GLU A 42 -8.448 9.641 0.016 1.00 0.00 C ATOM 371 OE1 GLU A 42 -8.827 10.823 -0.127 1.00 0.00 O ATOM 372 OE2 GLU A 42 -9.187 8.636 0.079 1.00 0.00 O ATOM 0 H GLU A 42 -3.271 10.682 2.248 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.397 9.855 0.495 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.311 9.532 2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.985 11.020 1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.455 9.712 -0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.746 8.337 0.243 1.00 0.00 H new ATOM 377 N GLN A 43 -3.924 12.647 0.031 1.00 0.00 N ATOM 378 CA GLN A 43 -3.833 13.807 -0.840 1.00 0.00 C ATOM 379 C GLN A 43 -4.225 13.429 -2.269 1.00 0.00 C ATOM 380 O GLN A 43 -4.430 12.254 -2.571 1.00 0.00 O ATOM 381 CB GLN A 43 -2.429 14.415 -0.799 1.00 0.00 C ATOM 382 CG GLN A 43 -1.421 13.515 -1.516 1.00 0.00 C ATOM 383 CD GLN A 43 -0.059 13.554 -0.819 1.00 0.00 C ATOM 384 OE1 GLN A 43 0.456 12.352 -0.571 1.00 0.00 O flip ATOM 385 NE2 GLN A 43 0.488 14.604 -0.526 1.00 0.00 N flip ATOM 0 H GLN A 43 -3.121 12.511 0.645 1.00 0.00 H new ATOM 0 HA GLN A 43 -4.531 14.563 -0.480 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.441 15.399 -1.268 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.121 14.559 0.237 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.793 12.491 -1.538 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.313 13.837 -2.552 1.00 0.00 H new ATOM 0 HE21 GLN A 43 0.037 15.492 -0.745 1.00 0.00 H new ATOM 0 HE22 GLN A 43 1.396 14.594 -0.062 1.00 0.00 H new ATOM 392 N TYR A 44 -4.317 14.448 -3.112 1.00 0.00 N ATOM 393 CA TYR A 44 -4.680 14.238 -4.503 1.00 0.00 C ATOM 394 C TYR A 44 -4.061 12.947 -5.042 1.00 0.00 C ATOM 395 O TYR A 44 -2.839 12.807 -5.077 1.00 0.00 O ATOM 396 CB TYR A 44 -4.104 15.427 -5.274 1.00 0.00 C ATOM 397 CG TYR A 44 -2.580 15.402 -5.407 1.00 0.00 C ATOM 398 CD1 TYR A 44 -1.788 15.420 -4.276 1.00 0.00 C ATOM 399 CD2 TYR A 44 -1.997 15.365 -6.657 1.00 0.00 C ATOM 400 CE1 TYR A 44 -0.354 15.397 -4.402 1.00 0.00 C ATOM 401 CE2 TYR A 44 -0.562 15.341 -6.783 1.00 0.00 C ATOM 402 CZ TYR A 44 0.188 15.359 -5.649 1.00 0.00 C ATOM 403 OH TYR A 44 1.544 15.338 -5.766 1.00 0.00 O ATOM 0 H TYR A 44 -4.146 15.421 -2.858 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.762 14.156 -4.609 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.545 15.449 -6.270 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.400 16.349 -4.774 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.244 15.451 -3.297 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.617 15.354 -7.541 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.277 15.410 -3.526 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.093 15.309 -7.755 1.00 0.00 H new ATOM 0 HH TYR A 44 1.790 15.310 -6.714 1.00 0.00 H new ATOM 412 N CYS A 45 -4.932 12.036 -5.452 1.00 0.00 N ATOM 413 CA CYS A 45 -4.486 10.761 -5.988 1.00 0.00 C ATOM 414 C CYS A 45 -5.278 10.475 -7.265 1.00 0.00 C ATOM 415 O CYS A 45 -4.696 10.303 -8.335 1.00 0.00 O ATOM 416 CB CYS A 45 -4.629 9.635 -4.963 1.00 0.00 C ATOM 417 SG CYS A 45 -3.284 9.548 -3.725 1.00 0.00 S ATOM 0 H CYS A 45 -5.945 12.156 -5.424 1.00 0.00 H new ATOM 0 HA CYS A 45 -3.423 10.814 -6.224 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.578 9.757 -4.440 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.678 8.684 -5.493 1.00 0.00 H new ATOM 421 N HIS A 46 -6.593 10.431 -7.111 1.00 0.00 N ATOM 422 CA HIS A 46 -7.470 10.167 -8.239 1.00 0.00 C ATOM 423 C HIS A 46 -7.005 10.978 -9.450 1.00 0.00 C ATOM 424 O HIS A 46 -6.199 11.896 -9.315 1.00 0.00 O ATOM 425 CB HIS A 46 -8.929 10.440 -7.868 1.00 0.00 C ATOM 426 CG HIS A 46 -9.792 9.202 -7.822 1.00 0.00 C ATOM 427 ND1 HIS A 46 -9.651 7.993 -8.438 1.00 0.00 N flip ATOM 428 CD2 HIS A 46 -10.956 9.126 -7.076 1.00 0.00 C flip ATOM 429 CE1 HIS A 46 -10.671 7.221 -8.087 1.00 0.00 C flip ATOM 430 NE2 HIS A 46 -11.481 7.922 -7.242 1.00 0.00 N flip ATOM 0 H HIS A 46 -7.073 10.574 -6.222 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.415 9.112 -8.508 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -8.960 10.929 -6.894 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -9.352 11.139 -8.589 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -11.366 9.915 -6.463 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -10.833 6.205 -8.416 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -12.340 7.579 -6.813 1.00 0.00 H new ATOM 437 N ARG A 47 -7.536 10.609 -10.607 1.00 0.00 N ATOM 438 CA ARG A 47 -7.186 11.290 -11.842 1.00 0.00 C ATOM 439 C ARG A 47 -8.435 11.895 -12.487 1.00 0.00 C ATOM 440 O ARG A 47 -8.430 13.059 -12.884 1.00 0.00 O ATOM 441 CB ARG A 47 -6.523 10.331 -12.833 1.00 0.00 C ATOM 442 CG ARG A 47 -7.027 8.900 -12.630 1.00 0.00 C ATOM 443 CD ARG A 47 -6.281 7.921 -13.540 1.00 0.00 C ATOM 444 NE ARG A 47 -6.780 8.039 -14.928 1.00 0.00 N ATOM 445 CZ ARG A 47 -6.246 7.397 -15.975 1.00 0.00 C ATOM 446 NH1 ARG A 47 -5.192 6.588 -15.799 1.00 0.00 N ATOM 447 NH2 ARG A 47 -6.764 7.563 -17.199 1.00 0.00 N ATOM 0 H ARG A 47 -8.206 9.847 -10.715 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.480 12.082 -11.594 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.733 10.653 -13.853 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.441 10.361 -12.706 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.893 8.608 -11.588 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.096 8.854 -12.839 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.211 8.128 -13.511 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.419 6.901 -13.181 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.581 8.647 -15.098 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.796 6.461 -14.867 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.786 6.099 -16.597 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.566 8.179 -17.334 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.357 7.074 -17.996 1.00 0.00 H new ATOM 458 N THR A 48 -9.473 11.077 -12.572 1.00 0.00 N ATOM 459 CA THR A 48 -10.726 11.517 -13.162 1.00 0.00 C ATOM 460 C THR A 48 -11.732 10.365 -13.195 1.00 0.00 C ATOM 461 O THR A 48 -12.924 10.571 -12.969 1.00 0.00 O ATOM 462 CB THR A 48 -10.419 12.096 -14.544 1.00 0.00 C ATOM 463 OG1 THR A 48 -11.681 12.099 -15.207 1.00 0.00 O ATOM 464 CG2 THR A 48 -9.555 11.162 -15.393 1.00 0.00 C ATOM 0 H THR A 48 -9.472 10.112 -12.242 1.00 0.00 H new ATOM 0 HA THR A 48 -11.194 12.298 -12.563 1.00 0.00 H new ATOM 0 HB THR A 48 -9.913 13.055 -14.431 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.575 12.461 -16.111 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.367 11.622 -16.363 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.606 10.983 -14.887 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.075 10.214 -15.535 1.00 0.00 H new ATOM 472 N THR A 49 -11.217 9.178 -13.480 1.00 0.00 N ATOM 473 CA THR A 49 -12.057 7.994 -13.546 1.00 0.00 C ATOM 474 C THR A 49 -13.168 8.185 -14.578 1.00 0.00 C ATOM 475 O THR A 49 -14.081 8.984 -14.372 1.00 0.00 O ATOM 476 CB THR A 49 -12.578 7.705 -12.137 1.00 0.00 C ATOM 477 OG1 THR A 49 -13.731 8.533 -12.017 1.00 0.00 O ATOM 478 CG2 THR A 49 -11.635 8.219 -11.046 1.00 0.00 C ATOM 0 H THR A 49 -10.229 9.011 -13.668 1.00 0.00 H new ATOM 0 HA THR A 49 -11.491 7.126 -13.883 1.00 0.00 H new ATOM 0 HB THR A 49 -12.721 6.631 -12.016 1.00 0.00 H new ATOM 0 HG1 THR A 49 -13.683 9.258 -12.674 1.00 0.00 H new ATOM 0 HG21 THR A 49 -12.052 7.988 -10.066 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.663 7.737 -11.149 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.518 9.298 -11.145 1.00 0.00 H new ATOM 486 N ILE A 50 -13.056 7.439 -15.668 1.00 0.00 N ATOM 487 CA ILE A 50 -14.042 7.517 -16.733 1.00 0.00 C ATOM 488 C ILE A 50 -14.212 8.977 -17.158 1.00 0.00 C ATOM 489 O ILE A 50 -13.662 9.879 -16.528 1.00 0.00 O ATOM 490 CB ILE A 50 -15.347 6.844 -16.305 1.00 0.00 C ATOM 491 CG1 ILE A 50 -16.194 6.466 -17.522 1.00 0.00 C ATOM 492 CG2 ILE A 50 -16.120 7.725 -15.321 1.00 0.00 C ATOM 493 CD1 ILE A 50 -17.150 5.318 -17.189 1.00 0.00 C ATOM 0 H ILE A 50 -12.298 6.778 -15.836 1.00 0.00 H new ATOM 0 HA ILE A 50 -13.701 6.967 -17.610 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.100 5.919 -15.785 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -16.764 7.333 -17.857 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -15.543 6.175 -18.346 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -17.044 7.224 -15.032 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -15.511 7.902 -14.435 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -16.357 8.678 -15.794 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -17.740 5.069 -18.071 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -16.576 4.445 -16.878 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -17.815 5.621 -16.381 1.00 0.00 H new ATOM 504 N GLY A 51 -14.975 9.163 -18.225 1.00 0.00 N ATOM 505 CA GLY A 51 -15.225 10.498 -18.741 1.00 0.00 C ATOM 506 C GLY A 51 -16.371 11.173 -17.986 1.00 0.00 C ATOM 507 O GLY A 51 -17.300 11.696 -18.599 1.00 0.00 O ATOM 0 H GLY A 51 -15.428 8.412 -18.746 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.321 11.101 -18.652 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.467 10.442 -19.802 1.00 0.00 H new ATOM 511 N ASN A 52 -16.267 11.140 -16.666 1.00 0.00 N ATOM 512 CA ASN A 52 -17.283 11.742 -15.819 1.00 0.00 C ATOM 513 C ASN A 52 -16.907 11.535 -14.351 1.00 0.00 C ATOM 514 O ASN A 52 -16.387 10.482 -13.982 1.00 0.00 O ATOM 515 CB ASN A 52 -18.650 11.095 -16.053 1.00 0.00 C ATOM 516 CG ASN A 52 -19.782 12.083 -15.764 1.00 0.00 C ATOM 517 OD1 ASN A 52 -19.584 13.283 -15.671 1.00 0.00 O ATOM 518 ND2 ASN A 52 -20.976 11.513 -15.630 1.00 0.00 N ATOM 0 H ASN A 52 -15.494 10.706 -16.162 1.00 0.00 H new ATOM 0 HA ASN A 52 -17.339 12.803 -16.063 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -18.720 10.748 -17.084 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -18.756 10.219 -15.414 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -21.797 12.087 -15.437 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -21.071 10.501 -15.720 1.00 0.00 H new ATOM 524 N PHE A 53 -17.184 12.555 -13.553 1.00 0.00 N ATOM 525 CA PHE A 53 -16.881 12.498 -12.132 1.00 0.00 C ATOM 526 C PHE A 53 -17.587 11.312 -11.468 1.00 0.00 C ATOM 527 O PHE A 53 -18.800 11.159 -11.593 1.00 0.00 O ATOM 528 CB PHE A 53 -17.398 13.797 -11.511 1.00 0.00 C ATOM 529 CG PHE A 53 -16.984 15.058 -12.272 1.00 0.00 C ATOM 530 CD1 PHE A 53 -15.744 15.585 -12.091 1.00 0.00 C ATOM 531 CD2 PHE A 53 -17.856 15.651 -13.131 1.00 0.00 C ATOM 532 CE1 PHE A 53 -15.359 16.755 -12.797 1.00 0.00 C ATOM 533 CE2 PHE A 53 -17.472 16.822 -13.838 1.00 0.00 C ATOM 534 CZ PHE A 53 -16.232 17.350 -13.655 1.00 0.00 C ATOM 0 H PHE A 53 -17.615 13.426 -13.863 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.808 12.377 -11.985 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -18.486 13.756 -11.461 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -17.034 13.868 -10.486 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.051 15.113 -11.410 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -18.841 15.232 -13.276 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -14.374 17.173 -12.653 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -18.164 17.293 -14.520 1.00 0.00 H new ATOM 0 HZ PHE A 53 -15.940 18.241 -14.190 1.00 0.00 H new ATOM 543 N SER A 54 -16.795 10.506 -10.778 1.00 0.00 N ATOM 544 CA SER A 54 -17.328 9.339 -10.094 1.00 0.00 C ATOM 545 C SER A 54 -18.185 8.516 -11.057 1.00 0.00 C ATOM 546 O SER A 54 -19.412 8.536 -10.973 1.00 0.00 O ATOM 547 CB SER A 54 -18.149 9.747 -8.868 1.00 0.00 C ATOM 548 OG SER A 54 -17.365 10.455 -7.913 1.00 0.00 O ATOM 0 H SER A 54 -15.788 10.637 -10.677 1.00 0.00 H new ATOM 0 HA SER A 54 -16.491 8.730 -9.751 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.986 10.370 -9.183 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.572 8.857 -8.402 1.00 0.00 H new ATOM 0 HG SER A 54 -17.925 10.699 -7.147 1.00 0.00 H new ATOM 553 N GLY A 55 -17.505 7.809 -11.947 1.00 0.00 N ATOM 554 CA GLY A 55 -18.190 6.979 -12.925 1.00 0.00 C ATOM 555 C GLY A 55 -18.821 5.755 -12.258 1.00 0.00 C ATOM 556 O GLY A 55 -19.194 5.805 -11.088 1.00 0.00 O ATOM 0 H GLY A 55 -16.487 7.793 -12.012 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -18.962 7.563 -13.426 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.485 6.657 -13.692 1.00 0.00 H new ATOM 560 N PRO A 56 -18.924 4.657 -13.054 1.00 0.00 N ATOM 561 CA PRO A 56 -19.503 3.422 -12.554 1.00 0.00 C ATOM 562 C PRO A 56 -18.531 2.698 -11.622 1.00 0.00 C ATOM 563 O PRO A 56 -18.516 2.949 -10.417 1.00 0.00 O ATOM 564 CB PRO A 56 -19.846 2.617 -13.797 1.00 0.00 C ATOM 565 CG PRO A 56 -19.025 3.222 -14.925 1.00 0.00 C ATOM 566 CD PRO A 56 -18.492 4.562 -14.445 1.00 0.00 C ATOM 0 HA PRO A 56 -20.392 3.590 -11.947 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -19.604 1.563 -13.659 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -20.912 2.673 -14.017 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -18.203 2.559 -15.197 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -19.638 3.352 -15.817 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.406 4.608 -14.526 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -18.891 5.383 -15.040 1.00 0.00 H new ATOM 571 N TYR A 57 -17.741 1.814 -12.213 1.00 0.00 N ATOM 572 CA TYR A 57 -16.768 1.051 -11.450 1.00 0.00 C ATOM 573 C TYR A 57 -16.063 0.021 -12.334 1.00 0.00 C ATOM 574 O TYR A 57 -15.785 0.287 -13.503 1.00 0.00 O ATOM 575 CB TYR A 57 -17.562 0.318 -10.366 1.00 0.00 C ATOM 576 CG TYR A 57 -16.821 0.185 -9.034 1.00 0.00 C ATOM 577 CD1 TYR A 57 -16.053 1.231 -8.564 1.00 0.00 C ATOM 578 CD2 TYR A 57 -16.920 -0.981 -8.303 1.00 0.00 C ATOM 579 CE1 TYR A 57 -15.356 1.106 -7.311 1.00 0.00 C ATOM 580 CE2 TYR A 57 -16.223 -1.106 -7.049 1.00 0.00 C ATOM 581 CZ TYR A 57 -15.475 -0.056 -6.615 1.00 0.00 C ATOM 582 OH TYR A 57 -14.816 -0.174 -5.431 1.00 0.00 O ATOM 0 H TYR A 57 -17.755 1.609 -13.212 1.00 0.00 H new ATOM 0 HA TYR A 57 -16.004 1.709 -11.036 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -18.500 0.847 -10.197 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -17.818 -0.678 -10.728 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -15.975 2.143 -9.137 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -17.520 -1.800 -8.671 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -14.752 1.917 -6.932 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -16.293 -2.013 -6.466 1.00 0.00 H new ATOM 0 HH TYR A 57 -14.993 -1.057 -5.044 1.00 0.00 H new ATOM 591 N THR A 58 -15.793 -1.134 -11.743 1.00 0.00 N ATOM 592 CA THR A 58 -15.125 -2.205 -12.463 1.00 0.00 C ATOM 593 C THR A 58 -13.680 -1.814 -12.780 1.00 0.00 C ATOM 594 O THR A 58 -13.008 -2.490 -13.558 1.00 0.00 O ATOM 595 CB THR A 58 -15.955 -2.527 -13.706 1.00 0.00 C ATOM 596 OG1 THR A 58 -17.174 -3.050 -13.185 1.00 0.00 O ATOM 597 CG2 THR A 58 -15.369 -3.685 -14.517 1.00 0.00 C ATOM 0 H THR A 58 -16.025 -1.351 -10.774 1.00 0.00 H new ATOM 0 HA THR A 58 -15.058 -3.108 -11.857 1.00 0.00 H new ATOM 0 HB THR A 58 -16.023 -1.640 -14.336 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.772 -3.284 -13.925 1.00 0.00 H new ATOM 0 HG21 THR A 58 -15.996 -3.873 -15.389 1.00 0.00 H new ATOM 0 HG22 THR A 58 -14.362 -3.427 -14.844 1.00 0.00 H new ATOM 0 HG23 THR A 58 -15.331 -4.581 -13.897 1.00 0.00 H new ATOM 605 N TYR A 59 -13.245 -0.726 -12.162 1.00 0.00 N ATOM 606 CA TYR A 59 -11.892 -0.238 -12.369 1.00 0.00 C ATOM 607 C TYR A 59 -11.201 0.044 -11.034 1.00 0.00 C ATOM 608 O TYR A 59 -11.847 0.452 -10.070 1.00 0.00 O ATOM 609 CB TYR A 59 -12.032 1.074 -13.145 1.00 0.00 C ATOM 610 CG TYR A 59 -12.896 2.123 -12.443 1.00 0.00 C ATOM 611 CD1 TYR A 59 -12.447 2.723 -11.284 1.00 0.00 C ATOM 612 CD2 TYR A 59 -14.124 2.469 -12.968 1.00 0.00 C ATOM 613 CE1 TYR A 59 -13.261 3.711 -10.623 1.00 0.00 C ATOM 614 CE2 TYR A 59 -14.938 3.456 -12.307 1.00 0.00 C ATOM 615 CZ TYR A 59 -14.466 4.029 -11.167 1.00 0.00 C ATOM 616 OH TYR A 59 -15.235 4.961 -10.544 1.00 0.00 O ATOM 0 H TYR A 59 -13.806 -0.168 -11.518 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.294 -0.977 -12.902 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.039 1.491 -13.316 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -12.461 0.861 -14.124 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -11.486 2.452 -10.873 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -14.475 1.999 -13.875 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.922 4.188 -9.716 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -15.901 3.735 -12.707 1.00 0.00 H new ATOM 0 HH TYR A 59 -16.067 5.087 -11.046 1.00 0.00 H new ATOM 625 N CYS A 60 -9.896 -0.185 -11.020 1.00 0.00 N ATOM 626 CA CYS A 60 -9.110 0.039 -9.819 1.00 0.00 C ATOM 627 C CYS A 60 -9.427 1.440 -9.292 1.00 0.00 C ATOM 628 O CYS A 60 -9.414 2.410 -10.047 1.00 0.00 O ATOM 629 CB CYS A 60 -7.614 -0.147 -10.079 1.00 0.00 C ATOM 630 SG CYS A 60 -7.190 -1.592 -11.119 1.00 0.00 S ATOM 0 H CYS A 60 -9.363 -0.523 -11.821 1.00 0.00 H new ATOM 0 HA CYS A 60 -9.376 -0.701 -9.064 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.228 0.753 -10.557 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.102 -0.244 -9.121 1.00 0.00 H new ATOM 634 N ASN A 61 -9.705 1.501 -7.997 1.00 0.00 N ATOM 635 CA ASN A 61 -10.025 2.766 -7.360 1.00 0.00 C ATOM 636 C ASN A 61 -8.833 3.224 -6.517 1.00 0.00 C ATOM 637 O ASN A 61 -7.926 2.440 -6.240 1.00 0.00 O ATOM 638 CB ASN A 61 -11.233 2.626 -6.431 1.00 0.00 C ATOM 639 CG ASN A 61 -11.551 3.953 -5.740 1.00 0.00 C ATOM 640 OD1 ASN A 61 -11.924 4.934 -6.363 1.00 0.00 O ATOM 641 ND2 ASN A 61 -11.384 3.929 -4.421 1.00 0.00 N ATOM 0 H ASN A 61 -9.715 0.694 -7.373 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.254 3.488 -8.143 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.099 2.293 -7.003 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.033 1.861 -5.681 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.571 4.765 -3.868 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.069 3.074 -3.962 1.00 0.00 H new ATOM 647 N THR A 62 -8.872 4.492 -6.133 1.00 0.00 N ATOM 648 CA THR A 62 -7.806 5.064 -5.328 1.00 0.00 C ATOM 649 C THR A 62 -7.754 4.389 -3.956 1.00 0.00 C ATOM 650 O THR A 62 -8.725 4.431 -3.203 1.00 0.00 O ATOM 651 CB THR A 62 -8.029 6.576 -5.255 1.00 0.00 C ATOM 652 OG1 THR A 62 -7.843 7.020 -6.596 1.00 0.00 O ATOM 653 CG2 THR A 62 -6.927 7.292 -4.469 1.00 0.00 C ATOM 0 H THR A 62 -9.625 5.139 -6.365 1.00 0.00 H new ATOM 0 HA THR A 62 -6.830 4.887 -5.779 1.00 0.00 H new ATOM 0 HB THR A 62 -8.995 6.779 -4.793 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.701 7.001 -7.069 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.132 8.362 -4.447 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.898 6.907 -3.450 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.965 7.117 -4.950 1.00 0.00 H new ATOM 661 N THR A 63 -6.610 3.783 -3.674 1.00 0.00 N ATOM 662 CA THR A 63 -6.418 3.100 -2.405 1.00 0.00 C ATOM 663 C THR A 63 -4.980 3.279 -1.915 1.00 0.00 C ATOM 664 O THR A 63 -4.036 3.159 -2.693 1.00 0.00 O ATOM 665 CB THR A 63 -6.819 1.635 -2.591 1.00 0.00 C ATOM 666 OG1 THR A 63 -8.180 1.698 -3.008 1.00 0.00 O ATOM 667 CG2 THR A 63 -6.868 0.870 -1.268 1.00 0.00 C ATOM 0 H THR A 63 -5.807 3.751 -4.302 1.00 0.00 H new ATOM 0 HA THR A 63 -7.049 3.528 -1.626 1.00 0.00 H new ATOM 0 HB THR A 63 -6.115 1.148 -3.265 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.520 0.790 -3.153 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.157 -0.164 -1.456 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.885 0.892 -0.798 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.597 1.336 -0.605 1.00 0.00 H new ATOM 675 N LEU A 64 -4.859 3.565 -0.626 1.00 0.00 N ATOM 676 CA LEU A 64 -3.553 3.763 -0.023 1.00 0.00 C ATOM 677 C LEU A 64 -3.582 3.265 1.423 1.00 0.00 C ATOM 678 O LEU A 64 -4.654 3.042 1.985 1.00 0.00 O ATOM 679 CB LEU A 64 -3.113 5.221 -0.163 1.00 0.00 C ATOM 680 CG LEU A 64 -3.370 6.118 1.049 1.00 0.00 C ATOM 681 CD1 LEU A 64 -2.169 6.116 1.997 1.00 0.00 C ATOM 682 CD2 LEU A 64 -3.753 7.534 0.614 1.00 0.00 C ATOM 0 H LEU A 64 -5.645 3.664 0.017 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.799 3.176 -0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.046 5.238 -0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.623 5.653 -1.024 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.217 5.711 1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.378 6.761 2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.983 5.101 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.289 6.485 1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.930 8.150 1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.943 7.966 0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.659 7.496 0.010 1.00 0.00 H new ATOM 693 N ASP A 65 -2.394 3.105 1.986 1.00 0.00 N ATOM 694 CA ASP A 65 -2.271 2.638 3.356 1.00 0.00 C ATOM 695 C ASP A 65 -0.821 2.801 3.817 1.00 0.00 C ATOM 696 O ASP A 65 -0.062 3.570 3.230 1.00 0.00 O ATOM 697 CB ASP A 65 -2.639 1.158 3.468 1.00 0.00 C ATOM 698 CG ASP A 65 -3.631 0.821 4.583 1.00 0.00 C ATOM 699 OD1 ASP A 65 -4.413 1.729 4.940 1.00 0.00 O ATOM 700 OD2 ASP A 65 -3.587 -0.336 5.053 1.00 0.00 O ATOM 0 H ASP A 65 -1.507 3.291 1.518 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.949 3.226 3.975 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.059 0.831 2.517 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.727 0.583 3.628 1.00 0.00 H new ATOM 704 N GLN A 66 -0.480 2.064 4.865 1.00 0.00 N ATOM 705 CA GLN A 66 0.864 2.117 5.411 1.00 0.00 C ATOM 706 C GLN A 66 1.889 2.275 4.286 1.00 0.00 C ATOM 707 O GLN A 66 2.704 3.197 4.309 1.00 0.00 O ATOM 708 CB GLN A 66 1.164 0.875 6.254 1.00 0.00 C ATOM 709 CG GLN A 66 1.379 1.248 7.722 1.00 0.00 C ATOM 710 CD GLN A 66 2.570 2.196 7.878 1.00 0.00 C ATOM 711 OE1 GLN A 66 3.652 1.966 7.362 1.00 0.00 O ATOM 712 NE2 GLN A 66 2.312 3.273 8.614 1.00 0.00 N ATOM 0 H GLN A 66 -1.112 1.427 5.350 1.00 0.00 H new ATOM 0 HA GLN A 66 0.934 2.986 6.065 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.339 0.167 6.172 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.052 0.375 5.868 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.479 1.721 8.116 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.549 0.345 8.309 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.384 3.405 9.017 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.042 3.967 8.775 1.00 0.00 H new ATOM 719 N ILE A 67 1.815 1.364 3.328 1.00 0.00 N ATOM 720 CA ILE A 67 2.726 1.391 2.196 1.00 0.00 C ATOM 721 C ILE A 67 1.932 1.190 0.904 1.00 0.00 C ATOM 722 O ILE A 67 2.179 0.242 0.160 1.00 0.00 O ATOM 723 CB ILE A 67 3.851 0.374 2.391 1.00 0.00 C ATOM 724 CG1 ILE A 67 4.510 0.022 1.055 1.00 0.00 C ATOM 725 CG2 ILE A 67 3.346 -0.870 3.125 1.00 0.00 C ATOM 726 CD1 ILE A 67 6.026 -0.104 1.207 1.00 0.00 C ATOM 0 H ILE A 67 1.138 0.601 3.312 1.00 0.00 H new ATOM 0 HA ILE A 67 3.215 2.362 2.122 1.00 0.00 H new ATOM 0 HB ILE A 67 4.617 0.830 3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.100 -0.915 0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.278 0.790 0.317 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.166 -1.577 3.250 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.961 -0.584 4.104 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.550 -1.337 2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.469 -0.355 0.243 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.436 0.842 1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.255 -0.890 1.927 1.00 0.00 H new ATOM 737 N GLY A 68 0.994 2.098 0.675 1.00 0.00 N ATOM 738 CA GLY A 68 0.163 2.033 -0.514 1.00 0.00 C ATOM 739 C GLY A 68 0.677 2.986 -1.595 1.00 0.00 C ATOM 740 O GLY A 68 0.134 3.030 -2.698 1.00 0.00 O ATOM 0 H GLY A 68 0.792 2.883 1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.152 1.013 -0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.865 2.289 -0.258 1.00 0.00 H new ATOM 744 N THR A 69 1.719 3.725 -1.241 1.00 0.00 N ATOM 745 CA THR A 69 2.312 4.674 -2.168 1.00 0.00 C ATOM 746 C THR A 69 1.225 5.368 -2.990 1.00 0.00 C ATOM 747 O THR A 69 1.464 5.773 -4.126 1.00 0.00 O ATOM 748 CB THR A 69 3.335 3.924 -3.023 1.00 0.00 C ATOM 749 OG1 THR A 69 3.723 4.873 -4.012 1.00 0.00 O ATOM 750 CG2 THR A 69 2.703 2.785 -3.827 1.00 0.00 C ATOM 0 H THR A 69 2.167 3.686 -0.326 1.00 0.00 H new ATOM 0 HA THR A 69 2.833 5.471 -1.638 1.00 0.00 H new ATOM 0 HB THR A 69 4.120 3.524 -2.382 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.960 5.069 -4.595 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.472 2.285 -4.416 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.246 2.068 -3.145 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.941 3.189 -4.493 1.00 0.00 H new ATOM 758 N CYS A 70 0.052 5.484 -2.384 1.00 0.00 N ATOM 759 CA CYS A 70 -1.074 6.122 -3.046 1.00 0.00 C ATOM 760 C CYS A 70 -1.229 5.500 -4.435 1.00 0.00 C ATOM 761 O CYS A 70 -0.523 5.875 -5.369 1.00 0.00 O ATOM 762 CB CYS A 70 -0.901 7.640 -3.116 1.00 0.00 C ATOM 763 SG CYS A 70 -1.810 8.454 -4.481 1.00 0.00 S ATOM 0 H CYS A 70 -0.143 5.147 -1.441 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.983 5.952 -2.470 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.229 8.073 -2.171 1.00 0.00 H new ATOM 0 HB3 CYS A 70 0.160 7.866 -3.219 1.00 0.00 H new ATOM 767 N TRP A 71 -2.158 4.560 -4.527 1.00 0.00 N ATOM 768 CA TRP A 71 -2.415 3.883 -5.786 1.00 0.00 C ATOM 769 C TRP A 71 -3.632 4.543 -6.438 1.00 0.00 C ATOM 770 O TRP A 71 -4.753 4.405 -5.951 1.00 0.00 O ATOM 771 CB TRP A 71 -2.594 2.378 -5.573 1.00 0.00 C ATOM 772 CG TRP A 71 -1.376 1.687 -4.957 1.00 0.00 C ATOM 773 CD1 TRP A 71 -1.253 1.174 -3.725 1.00 0.00 C ATOM 774 CD2 TRP A 71 -0.104 1.455 -5.598 1.00 0.00 C ATOM 775 NE1 TRP A 71 -0.001 0.629 -3.527 1.00 0.00 N ATOM 776 CE2 TRP A 71 0.720 0.805 -4.702 1.00 0.00 C ATOM 777 CE3 TRP A 71 0.336 1.781 -6.893 1.00 0.00 C ATOM 778 CZ2 TRP A 71 2.034 0.427 -5.003 1.00 0.00 C ATOM 779 CZ3 TRP A 71 1.650 1.397 -7.179 1.00 0.00 C ATOM 780 CH2 TRP A 71 2.494 0.743 -6.288 1.00 0.00 C ATOM 0 H TRP A 71 -2.742 4.251 -3.750 1.00 0.00 H new ATOM 0 HA TRP A 71 -1.563 3.983 -6.458 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.457 2.213 -4.928 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.818 1.910 -6.532 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.036 1.186 -2.981 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.334 0.180 -2.675 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.292 2.288 -7.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 2.659 -0.081 -4.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.037 1.624 -8.161 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.499 0.480 -6.585 1.00 0.00 H new ATOM 790 N PRO A 72 -3.363 5.264 -7.559 1.00 0.00 N ATOM 791 CA PRO A 72 -4.422 5.946 -8.283 1.00 0.00 C ATOM 792 C PRO A 72 -5.267 4.952 -9.083 1.00 0.00 C ATOM 793 O PRO A 72 -4.761 3.928 -9.539 1.00 0.00 O ATOM 794 CB PRO A 72 -3.709 6.960 -9.161 1.00 0.00 C ATOM 795 CG PRO A 72 -2.263 6.498 -9.245 1.00 0.00 C ATOM 796 CD PRO A 72 -2.047 5.449 -8.165 1.00 0.00 C ATOM 0 HA PRO A 72 -5.132 6.442 -7.621 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.162 7.006 -10.151 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.775 7.961 -8.734 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.052 6.082 -10.230 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.584 7.339 -9.102 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.671 4.517 -8.588 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.316 5.783 -7.429 1.00 0.00 H new ATOM 801 N GLN A 73 -6.539 5.290 -9.230 1.00 0.00 N ATOM 802 CA GLN A 73 -7.459 4.440 -9.967 1.00 0.00 C ATOM 803 C GLN A 73 -6.765 3.845 -11.193 1.00 0.00 C ATOM 804 O GLN A 73 -5.757 4.376 -11.659 1.00 0.00 O ATOM 805 CB GLN A 73 -8.717 5.213 -10.370 1.00 0.00 C ATOM 806 CG GLN A 73 -8.424 6.174 -11.524 1.00 0.00 C ATOM 807 CD GLN A 73 -8.592 5.474 -12.875 1.00 0.00 C ATOM 808 OE1 GLN A 73 -7.634 5.112 -13.539 1.00 0.00 O ATOM 809 NE2 GLN A 73 -9.858 5.306 -13.243 1.00 0.00 N ATOM 0 H GLN A 73 -6.955 6.141 -8.851 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.768 3.622 -9.316 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.499 4.513 -10.664 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.095 5.772 -9.514 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.095 7.031 -11.468 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.408 6.559 -11.433 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -10.612 5.633 -12.639 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.075 4.850 -14.129 1.00 0.00 H new ATOM 816 N SER A 74 -7.331 2.751 -11.682 1.00 0.00 N ATOM 817 CA SER A 74 -6.779 2.079 -12.845 1.00 0.00 C ATOM 818 C SER A 74 -7.804 1.099 -13.420 1.00 0.00 C ATOM 819 O SER A 74 -8.941 1.043 -12.955 1.00 0.00 O ATOM 820 CB SER A 74 -5.483 1.345 -12.494 1.00 0.00 C ATOM 821 OG SER A 74 -4.725 2.042 -11.509 1.00 0.00 O ATOM 0 H SER A 74 -8.167 2.314 -11.293 1.00 0.00 H new ATOM 0 HA SER A 74 -6.546 2.834 -13.596 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.720 0.346 -12.129 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.881 1.221 -13.394 1.00 0.00 H new ATOM 0 HG SER A 74 -4.732 3.001 -11.709 1.00 0.00 H new ATOM 826 N ALA A 75 -7.366 0.351 -14.421 1.00 0.00 N ATOM 827 CA ALA A 75 -8.231 -0.622 -15.064 1.00 0.00 C ATOM 828 C ALA A 75 -7.906 -2.018 -14.528 1.00 0.00 C ATOM 829 O ALA A 75 -6.907 -2.205 -13.836 1.00 0.00 O ATOM 830 CB ALA A 75 -8.068 -0.528 -16.582 1.00 0.00 C ATOM 0 H ALA A 75 -6.422 0.399 -14.803 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.277 -0.415 -14.836 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.718 -1.259 -17.064 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.339 0.474 -16.916 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.031 -0.732 -16.850 1.00 0.00 H new ATOM 836 N PRO A 76 -8.793 -2.989 -14.877 1.00 0.00 N ATOM 837 CA PRO A 76 -8.611 -4.362 -14.439 1.00 0.00 C ATOM 838 C PRO A 76 -7.495 -5.047 -15.233 1.00 0.00 C ATOM 839 O PRO A 76 -7.206 -4.660 -16.364 1.00 0.00 O ATOM 840 CB PRO A 76 -9.967 -5.020 -14.632 1.00 0.00 C ATOM 841 CG PRO A 76 -10.729 -4.128 -15.600 1.00 0.00 C ATOM 842 CD PRO A 76 -9.988 -2.805 -15.695 1.00 0.00 C ATOM 0 HA PRO A 76 -8.294 -4.433 -13.399 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.859 -6.028 -15.032 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.497 -5.109 -13.683 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.797 -4.599 -16.581 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.749 -3.970 -15.251 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.729 -2.570 -16.727 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.599 -1.982 -15.324 1.00 0.00 H new ATOM 847 N GLY A 77 -6.901 -6.053 -14.608 1.00 0.00 N ATOM 848 CA GLY A 77 -5.824 -6.794 -15.242 1.00 0.00 C ATOM 849 C GLY A 77 -4.640 -5.880 -15.562 1.00 0.00 C ATOM 850 O GLY A 77 -4.111 -5.908 -16.672 1.00 0.00 O ATOM 0 H GLY A 77 -7.145 -6.372 -13.670 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.498 -7.600 -14.585 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.188 -7.257 -16.159 1.00 0.00 H new ATOM 854 N ALA A 78 -4.260 -5.089 -14.568 1.00 0.00 N ATOM 855 CA ALA A 78 -3.149 -4.167 -14.730 1.00 0.00 C ATOM 856 C ALA A 78 -2.139 -4.388 -13.602 1.00 0.00 C ATOM 857 O ALA A 78 -2.496 -4.334 -12.426 1.00 0.00 O ATOM 858 CB ALA A 78 -3.678 -2.731 -14.766 1.00 0.00 C ATOM 0 H ALA A 78 -4.702 -5.068 -13.649 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.634 -4.349 -15.673 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.845 -2.039 -14.888 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.368 -2.618 -15.602 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.199 -2.512 -13.834 1.00 0.00 H new ATOM 864 N LEU A 79 -0.900 -4.634 -14.000 1.00 0.00 N ATOM 865 CA LEU A 79 0.164 -4.864 -13.038 1.00 0.00 C ATOM 866 C LEU A 79 0.707 -3.518 -12.552 1.00 0.00 C ATOM 867 O LEU A 79 1.688 -3.010 -13.091 1.00 0.00 O ATOM 868 CB LEU A 79 1.235 -5.780 -13.632 1.00 0.00 C ATOM 869 CG LEU A 79 1.659 -6.967 -12.764 1.00 0.00 C ATOM 870 CD1 LEU A 79 2.260 -6.491 -11.441 1.00 0.00 C ATOM 871 CD2 LEU A 79 0.493 -7.934 -12.550 1.00 0.00 C ATOM 0 H LEU A 79 -0.609 -4.679 -14.977 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.221 -5.388 -12.163 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.869 -6.164 -14.584 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.119 -5.180 -13.849 1.00 0.00 H new ATOM 0 HG LEU A 79 2.439 -7.516 -13.292 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.553 -7.354 -10.843 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.136 -5.874 -11.640 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.520 -5.906 -10.895 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.821 -8.768 -11.930 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.325 -7.413 -12.053 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.151 -8.311 -13.514 1.00 0.00 H new ATOM 882 N VAL A 80 0.044 -2.981 -11.539 1.00 0.00 N ATOM 883 CA VAL A 80 0.447 -1.704 -10.974 1.00 0.00 C ATOM 884 C VAL A 80 1.701 -1.903 -10.120 1.00 0.00 C ATOM 885 O VAL A 80 1.694 -1.614 -8.924 1.00 0.00 O ATOM 886 CB VAL A 80 -0.715 -1.085 -10.196 1.00 0.00 C ATOM 887 CG1 VAL A 80 -0.236 0.081 -9.329 1.00 0.00 C ATOM 888 CG2 VAL A 80 -1.834 -0.643 -11.140 1.00 0.00 C ATOM 0 H VAL A 80 -0.770 -3.406 -11.095 1.00 0.00 H new ATOM 0 HA VAL A 80 0.701 -0.999 -11.766 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.119 -1.851 -9.534 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.082 0.503 -8.787 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.509 -0.276 -8.618 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.207 0.848 -9.964 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.648 -0.206 -10.561 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.448 0.098 -11.840 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.205 -1.506 -11.694 1.00 0.00 H new ATOM 898 N GLU A 81 2.748 -2.394 -10.766 1.00 0.00 N ATOM 899 CA GLU A 81 4.006 -2.634 -10.081 1.00 0.00 C ATOM 900 C GLU A 81 4.911 -1.405 -10.185 1.00 0.00 C ATOM 901 O GLU A 81 4.949 -0.745 -11.221 1.00 0.00 O ATOM 902 CB GLU A 81 4.704 -3.877 -10.636 1.00 0.00 C ATOM 903 CG GLU A 81 4.713 -3.864 -12.165 1.00 0.00 C ATOM 904 CD GLU A 81 5.871 -4.700 -12.714 1.00 0.00 C ATOM 905 OE1 GLU A 81 5.917 -5.901 -12.372 1.00 0.00 O ATOM 906 OE2 GLU A 81 6.685 -4.118 -13.464 1.00 0.00 O ATOM 0 H GLU A 81 2.751 -2.632 -11.758 1.00 0.00 H new ATOM 0 HA GLU A 81 3.794 -2.816 -9.027 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.727 -3.921 -10.263 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.196 -4.773 -10.279 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.767 -4.255 -12.541 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.799 -2.838 -12.523 1.00 0.00 H new ATOM 911 N ARG A 82 5.616 -1.135 -9.097 1.00 0.00 N ATOM 912 CA ARG A 82 6.518 0.004 -9.052 1.00 0.00 C ATOM 913 C ARG A 82 7.895 -0.430 -8.547 1.00 0.00 C ATOM 914 O ARG A 82 8.303 -0.057 -7.448 1.00 0.00 O ATOM 915 CB ARG A 82 5.971 1.105 -8.141 1.00 0.00 C ATOM 916 CG ARG A 82 4.533 1.463 -8.517 1.00 0.00 C ATOM 917 CD ARG A 82 4.482 2.190 -9.863 1.00 0.00 C ATOM 918 NE ARG A 82 3.282 1.770 -10.621 1.00 0.00 N ATOM 919 CZ ARG A 82 3.062 2.072 -11.907 1.00 0.00 C ATOM 920 NH1 ARG A 82 3.960 2.798 -12.588 1.00 0.00 N ATOM 921 NH2 ARG A 82 1.945 1.648 -12.514 1.00 0.00 N ATOM 0 H ARG A 82 5.581 -1.685 -8.239 1.00 0.00 H new ATOM 0 HA ARG A 82 6.606 0.398 -10.065 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.008 0.775 -7.103 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.602 1.991 -8.216 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.930 0.556 -8.566 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.097 2.094 -7.742 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.462 3.268 -9.703 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.381 1.970 -10.439 1.00 0.00 H new ATOM 0 HE ARG A 82 2.578 1.216 -10.133 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.811 3.120 -12.127 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.793 3.028 -13.568 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.262 1.095 -11.996 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.778 1.878 -13.494 1.00 0.00 H new ATOM 932 N PRO A 83 8.593 -1.231 -9.396 1.00 0.00 N ATOM 933 CA PRO A 83 9.917 -1.719 -9.047 1.00 0.00 C ATOM 934 C PRO A 83 10.963 -0.610 -9.179 1.00 0.00 C ATOM 935 O PRO A 83 11.378 -0.273 -10.287 1.00 0.00 O ATOM 936 CB PRO A 83 10.166 -2.886 -9.988 1.00 0.00 C ATOM 937 CG PRO A 83 9.180 -2.718 -11.132 1.00 0.00 C ATOM 938 CD PRO A 83 8.142 -1.692 -10.706 1.00 0.00 C ATOM 0 HA PRO A 83 9.987 -2.040 -8.008 1.00 0.00 H new ATOM 0 HB2 PRO A 83 11.193 -2.880 -10.354 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.014 -3.838 -9.478 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.695 -2.388 -12.034 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.702 -3.669 -11.367 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.084 -0.868 -11.417 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.148 -2.135 -10.649 1.00 0.00 H new ATOM 943 N CYS A 84 11.357 -0.073 -8.034 1.00 0.00 N ATOM 944 CA CYS A 84 12.346 0.990 -8.007 1.00 0.00 C ATOM 945 C CYS A 84 11.797 2.177 -8.803 1.00 0.00 C ATOM 946 O CYS A 84 10.939 2.005 -9.668 1.00 0.00 O ATOM 947 CB CYS A 84 13.698 0.520 -8.547 1.00 0.00 C ATOM 948 SG CYS A 84 14.127 -1.212 -8.137 1.00 0.00 S ATOM 0 H CYS A 84 11.009 -0.355 -7.118 1.00 0.00 H new ATOM 0 HA CYS A 84 12.526 1.295 -6.976 1.00 0.00 H new ATOM 0 HB2 CYS A 84 13.700 0.633 -9.631 1.00 0.00 H new ATOM 0 HB3 CYS A 84 14.477 1.175 -8.157 1.00 0.00 H new ATOM 952 N PRO A 85 12.328 3.385 -8.473 1.00 0.00 N ATOM 953 CA PRO A 85 11.900 4.599 -9.147 1.00 0.00 C ATOM 954 C PRO A 85 12.494 4.684 -10.554 1.00 0.00 C ATOM 955 O PRO A 85 11.901 4.188 -11.512 1.00 0.00 O ATOM 956 CB PRO A 85 12.355 5.732 -8.240 1.00 0.00 C ATOM 957 CG PRO A 85 13.421 5.139 -7.334 1.00 0.00 C ATOM 958 CD PRO A 85 13.346 3.626 -7.454 1.00 0.00 C ATOM 0 HA PRO A 85 10.822 4.637 -9.301 1.00 0.00 H new ATOM 0 HB2 PRO A 85 12.755 6.562 -8.823 1.00 0.00 H new ATOM 0 HB3 PRO A 85 11.522 6.124 -7.657 1.00 0.00 H new ATOM 0 HG2 PRO A 85 14.409 5.496 -7.623 1.00 0.00 H new ATOM 0 HG3 PRO A 85 13.260 5.448 -6.301 1.00 0.00 H new ATOM 0 HD2 PRO A 85 14.307 3.204 -7.747 1.00 0.00 H new ATOM 0 HD3 PRO A 85 13.072 3.166 -6.504 1.00 0.00 H new ATOM 963 N GLU A 86 13.654 5.316 -10.634 1.00 0.00 N ATOM 964 CA GLU A 86 14.334 5.473 -11.909 1.00 0.00 C ATOM 965 C GLU A 86 14.220 4.188 -12.733 1.00 0.00 C ATOM 966 O GLU A 86 13.907 3.127 -12.195 1.00 0.00 O ATOM 967 CB GLU A 86 15.800 5.863 -11.705 1.00 0.00 C ATOM 968 CG GLU A 86 16.281 6.792 -12.822 1.00 0.00 C ATOM 969 CD GLU A 86 17.629 7.423 -12.468 1.00 0.00 C ATOM 970 OE1 GLU A 86 17.626 8.304 -11.582 1.00 0.00 O ATOM 971 OE2 GLU A 86 18.630 7.011 -13.093 1.00 0.00 O ATOM 0 H GLU A 86 14.141 5.726 -9.837 1.00 0.00 H new ATOM 0 HA GLU A 86 13.850 6.280 -12.459 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.918 6.357 -10.740 1.00 0.00 H new ATOM 0 HB3 GLU A 86 16.419 4.966 -11.681 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.371 6.231 -13.752 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.542 7.575 -12.992 1.00 0.00 H new ATOM 976 N TYR A 87 14.478 4.327 -14.024 1.00 0.00 N ATOM 977 CA TYR A 87 14.408 3.191 -14.928 1.00 0.00 C ATOM 978 C TYR A 87 15.788 2.561 -15.125 1.00 0.00 C ATOM 979 O TYR A 87 15.957 1.357 -14.941 1.00 0.00 O ATOM 980 CB TYR A 87 13.918 3.747 -16.267 1.00 0.00 C ATOM 981 CG TYR A 87 13.255 2.704 -17.169 1.00 0.00 C ATOM 982 CD1 TYR A 87 13.948 1.567 -17.533 1.00 0.00 C ATOM 983 CD2 TYR A 87 11.965 2.899 -17.618 1.00 0.00 C ATOM 984 CE1 TYR A 87 13.324 0.585 -18.381 1.00 0.00 C ATOM 985 CE2 TYR A 87 11.341 1.917 -18.466 1.00 0.00 C ATOM 986 CZ TYR A 87 12.051 0.808 -18.806 1.00 0.00 C ATOM 987 OH TYR A 87 11.463 -0.119 -19.608 1.00 0.00 O ATOM 0 H TYR A 87 14.736 5.209 -14.467 1.00 0.00 H new ATOM 0 HA TYR A 87 13.747 2.422 -14.528 1.00 0.00 H new ATOM 0 HB2 TYR A 87 13.208 4.552 -16.077 1.00 0.00 H new ATOM 0 HB3 TYR A 87 14.763 4.186 -16.797 1.00 0.00 H new ATOM 0 HD1 TYR A 87 14.958 1.414 -17.182 1.00 0.00 H new ATOM 0 HD2 TYR A 87 11.423 3.789 -17.333 1.00 0.00 H new ATOM 0 HE1 TYR A 87 13.855 -0.309 -18.673 1.00 0.00 H new ATOM 0 HE2 TYR A 87 10.332 2.058 -18.824 1.00 0.00 H new ATOM 0 HH TYR A 87 10.554 0.172 -19.833 1.00 0.00 H new ATOM 996 N PHE A 88 16.740 3.403 -15.498 1.00 0.00 N ATOM 997 CA PHE A 88 18.100 2.944 -15.722 1.00 0.00 C ATOM 998 C PHE A 88 18.412 1.715 -14.867 1.00 0.00 C ATOM 999 O PHE A 88 18.993 0.745 -15.354 1.00 0.00 O ATOM 1000 CB PHE A 88 19.032 4.087 -15.310 1.00 0.00 C ATOM 1001 CG PHE A 88 19.478 4.030 -13.848 1.00 0.00 C ATOM 1002 CD1 PHE A 88 18.648 4.476 -12.867 1.00 0.00 C ATOM 1003 CD2 PHE A 88 20.702 3.531 -13.530 1.00 0.00 C ATOM 1004 CE1 PHE A 88 19.063 4.424 -11.509 1.00 0.00 C ATOM 1005 CE2 PHE A 88 21.117 3.479 -12.172 1.00 0.00 C ATOM 1006 CZ PHE A 88 20.287 3.926 -11.191 1.00 0.00 C ATOM 0 H PHE A 88 16.596 4.401 -15.651 1.00 0.00 H new ATOM 0 HA PHE A 88 18.232 2.668 -16.768 1.00 0.00 H new ATOM 0 HB2 PHE A 88 19.915 4.071 -15.949 1.00 0.00 H new ATOM 0 HB3 PHE A 88 18.527 5.036 -15.488 1.00 0.00 H new ATOM 0 HD1 PHE A 88 17.674 4.869 -13.120 1.00 0.00 H new ATOM 0 HD2 PHE A 88 21.359 3.174 -14.309 1.00 0.00 H new ATOM 0 HE1 PHE A 88 18.406 4.780 -10.730 1.00 0.00 H new ATOM 0 HE2 PHE A 88 22.090 3.085 -11.919 1.00 0.00 H new ATOM 0 HZ PHE A 88 20.601 3.885 -10.158 1.00 0.00 H new ATOM 1015 N ASN A 89 18.011 1.793 -13.607 1.00 0.00 N ATOM 1016 CA ASN A 89 18.242 0.698 -12.678 1.00 0.00 C ATOM 1017 C ASN A 89 17.186 0.745 -11.572 1.00 0.00 C ATOM 1018 O ASN A 89 16.324 -0.130 -11.493 1.00 0.00 O ATOM 1019 CB ASN A 89 19.619 0.811 -12.024 1.00 0.00 C ATOM 1020 CG ASN A 89 20.201 -0.573 -11.729 1.00 0.00 C ATOM 1021 OD1 ASN A 89 19.359 -1.392 -11.106 1.00 0.00 O flip ATOM 1022 ND2 ASN A 89 21.339 -0.877 -12.045 1.00 0.00 N flip ATOM 0 H ASN A 89 17.528 2.597 -13.207 1.00 0.00 H new ATOM 0 HA ASN A 89 18.186 -0.237 -13.236 1.00 0.00 H new ATOM 0 HB2 ASN A 89 20.293 1.361 -12.681 1.00 0.00 H new ATOM 0 HB3 ASN A 89 19.540 1.381 -11.098 1.00 0.00 H new ATOM 0 HD21 ASN A 89 21.934 -0.200 -12.522 1.00 0.00 H new ATOM 0 HD22 ASN A 89 21.696 -1.809 -11.832 1.00 0.00 H new ATOM 1028 N GLY A 90 17.288 1.774 -10.743 1.00 0.00 N ATOM 1029 CA GLY A 90 16.353 1.945 -9.644 1.00 0.00 C ATOM 1030 C GLY A 90 16.943 2.848 -8.559 1.00 0.00 C ATOM 1031 O GLY A 90 16.309 3.814 -8.138 1.00 0.00 O ATOM 0 H GLY A 90 18.004 2.497 -10.811 1.00 0.00 H new ATOM 0 HA2 GLY A 90 15.424 2.377 -10.016 1.00 0.00 H new ATOM 0 HA3 GLY A 90 16.105 0.973 -9.218 1.00 0.00 H new ATOM 1035 N ILE A 91 18.149 2.501 -8.136 1.00 0.00 N ATOM 1036 CA ILE A 91 18.832 3.267 -7.108 1.00 0.00 C ATOM 1037 C ILE A 91 19.364 4.567 -7.716 1.00 0.00 C ATOM 1038 O ILE A 91 20.514 4.630 -8.147 1.00 0.00 O ATOM 1039 CB ILE A 91 19.911 2.418 -6.433 1.00 0.00 C ATOM 1040 CG1 ILE A 91 20.449 3.109 -5.179 1.00 0.00 C ATOM 1041 CG2 ILE A 91 21.028 2.066 -7.418 1.00 0.00 C ATOM 1042 CD1 ILE A 91 19.385 3.156 -4.079 1.00 0.00 C ATOM 0 H ILE A 91 18.672 1.698 -8.487 1.00 0.00 H new ATOM 0 HA ILE A 91 18.137 3.545 -6.316 1.00 0.00 H new ATOM 0 HB ILE A 91 19.457 1.480 -6.113 1.00 0.00 H new ATOM 0 HG12 ILE A 91 21.329 2.578 -4.816 1.00 0.00 H new ATOM 0 HG13 ILE A 91 20.767 4.122 -5.426 1.00 0.00 H new ATOM 0 HG21 ILE A 91 21.782 1.462 -6.913 1.00 0.00 H new ATOM 0 HG22 ILE A 91 20.612 1.503 -8.253 1.00 0.00 H new ATOM 0 HG23 ILE A 91 21.487 2.982 -7.790 1.00 0.00 H new ATOM 0 HD11 ILE A 91 19.793 3.652 -3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 91 18.516 3.708 -4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 91 19.087 2.141 -3.818 1.00 0.00 H new ATOM 1053 N LYS A 92 18.501 5.572 -7.730 1.00 0.00 N ATOM 1054 CA LYS A 92 18.869 6.867 -8.276 1.00 0.00 C ATOM 1055 C LYS A 92 17.674 7.817 -8.177 1.00 0.00 C ATOM 1056 O LYS A 92 17.434 8.616 -9.081 1.00 0.00 O ATOM 1057 CB LYS A 92 19.415 6.713 -9.697 1.00 0.00 C ATOM 1058 CG LYS A 92 20.401 7.833 -10.031 1.00 0.00 C ATOM 1059 CD LYS A 92 21.839 7.408 -9.727 1.00 0.00 C ATOM 1060 CE LYS A 92 22.345 8.067 -8.443 1.00 0.00 C ATOM 1061 NZ LYS A 92 22.732 9.473 -8.699 1.00 0.00 N ATOM 0 H LYS A 92 17.548 5.516 -7.372 1.00 0.00 H new ATOM 0 HA LYS A 92 19.677 7.310 -7.694 1.00 0.00 H new ATOM 0 HB2 LYS A 92 19.909 5.747 -9.797 1.00 0.00 H new ATOM 0 HB3 LYS A 92 18.591 6.725 -10.410 1.00 0.00 H new ATOM 0 HG2 LYS A 92 20.312 8.098 -11.084 1.00 0.00 H new ATOM 0 HG3 LYS A 92 20.152 8.725 -9.455 1.00 0.00 H new ATOM 0 HD2 LYS A 92 21.888 6.324 -9.627 1.00 0.00 H new ATOM 0 HD3 LYS A 92 22.487 7.681 -10.560 1.00 0.00 H new ATOM 0 HE2 LYS A 92 21.569 8.031 -7.679 1.00 0.00 H new ATOM 0 HE3 LYS A 92 23.200 7.513 -8.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 23.073 9.905 -7.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 23.488 9.501 -9.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 21.907 10.002 -9.047 1.00 0.00 H new ATOM 1071 N TYR A 93 16.956 7.699 -7.070 1.00 0.00 N ATOM 1072 CA TYR A 93 15.791 8.537 -6.841 1.00 0.00 C ATOM 1073 C TYR A 93 15.279 8.383 -5.407 1.00 0.00 C ATOM 1074 O TYR A 93 15.707 7.485 -4.683 1.00 0.00 O ATOM 1075 CB TYR A 93 14.717 8.040 -7.809 1.00 0.00 C ATOM 1076 CG TYR A 93 14.321 9.062 -8.877 1.00 0.00 C ATOM 1077 CD1 TYR A 93 13.367 10.019 -8.597 1.00 0.00 C ATOM 1078 CD2 TYR A 93 14.918 9.027 -10.121 1.00 0.00 C ATOM 1079 CE1 TYR A 93 12.995 10.981 -9.601 1.00 0.00 C ATOM 1080 CE2 TYR A 93 14.546 9.990 -11.125 1.00 0.00 C ATOM 1081 CZ TYR A 93 13.602 10.918 -10.817 1.00 0.00 C ATOM 1082 OH TYR A 93 13.252 11.827 -11.765 1.00 0.00 O ATOM 0 H TYR A 93 17.158 7.036 -6.322 1.00 0.00 H new ATOM 0 HA TYR A 93 16.038 9.588 -6.994 1.00 0.00 H new ATOM 0 HB2 TYR A 93 15.076 7.136 -8.301 1.00 0.00 H new ATOM 0 HB3 TYR A 93 13.830 7.762 -7.240 1.00 0.00 H new ATOM 0 HD1 TYR A 93 12.899 10.046 -7.624 1.00 0.00 H new ATOM 0 HD2 TYR A 93 15.664 8.278 -10.341 1.00 0.00 H new ATOM 0 HE1 TYR A 93 12.251 11.736 -9.394 1.00 0.00 H new ATOM 0 HE2 TYR A 93 15.007 9.975 -12.101 1.00 0.00 H new ATOM 0 HH TYR A 93 13.767 11.662 -12.582 1.00 0.00 H new ATOM 1091 N ASN A 94 14.369 9.272 -5.039 1.00 0.00 N ATOM 1092 CA ASN A 94 13.794 9.247 -3.705 1.00 0.00 C ATOM 1093 C ASN A 94 13.269 7.840 -3.408 1.00 0.00 C ATOM 1094 O ASN A 94 14.039 6.949 -3.056 1.00 0.00 O ATOM 1095 CB ASN A 94 12.620 10.223 -3.592 1.00 0.00 C ATOM 1096 CG ASN A 94 11.901 10.373 -4.934 1.00 0.00 C ATOM 1097 OD1 ASN A 94 11.924 9.276 -5.686 1.00 0.00 O flip ATOM 1098 ND2 ASN A 94 11.361 11.416 -5.265 1.00 0.00 N flip ATOM 0 H ASN A 94 14.015 10.015 -5.642 1.00 0.00 H new ATOM 0 HA ASN A 94 14.571 9.535 -2.997 1.00 0.00 H new ATOM 0 HB2 ASN A 94 11.918 9.868 -2.837 1.00 0.00 H new ATOM 0 HB3 ASN A 94 12.982 11.196 -3.258 1.00 0.00 H new ATOM 0 HD21 ASN A 94 11.381 12.221 -4.639 1.00 0.00 H new ATOM 0 HD22 ASN A 94 10.890 11.482 -6.167 1.00 0.00 H new ATOM 1104 N THR A 95 11.962 7.687 -3.560 1.00 0.00 N ATOM 1105 CA THR A 95 11.325 6.405 -3.312 1.00 0.00 C ATOM 1106 C THR A 95 11.530 5.980 -1.856 1.00 0.00 C ATOM 1107 O THR A 95 12.660 5.761 -1.423 1.00 0.00 O ATOM 1108 CB THR A 95 11.880 5.398 -4.322 1.00 0.00 C ATOM 1109 OG1 THR A 95 11.246 5.751 -5.548 1.00 0.00 O ATOM 1110 CG2 THR A 95 11.399 3.971 -4.051 1.00 0.00 C ATOM 0 H THR A 95 11.327 8.430 -3.852 1.00 0.00 H new ATOM 0 HA THR A 95 10.246 6.466 -3.451 1.00 0.00 H new ATOM 0 HB THR A 95 12.969 5.424 -4.299 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.999 4.937 -6.035 1.00 0.00 H new ATOM 0 HG21 THR A 95 11.822 3.297 -4.796 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.721 3.661 -3.057 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.311 3.937 -4.107 1.00 0.00 H new ATOM 1118 N THR A 96 10.419 5.877 -1.141 1.00 0.00 N ATOM 1119 CA THR A 96 10.463 5.483 0.256 1.00 0.00 C ATOM 1120 C THR A 96 10.576 3.962 0.377 1.00 0.00 C ATOM 1121 O THR A 96 11.197 3.454 1.310 1.00 0.00 O ATOM 1122 CB THR A 96 9.224 6.057 0.948 1.00 0.00 C ATOM 1123 OG1 THR A 96 9.451 7.464 0.951 1.00 0.00 O ATOM 1124 CG2 THR A 96 9.159 5.687 2.431 1.00 0.00 C ATOM 0 H THR A 96 9.483 6.060 -1.504 1.00 0.00 H new ATOM 0 HA THR A 96 11.346 5.884 0.753 1.00 0.00 H new ATOM 0 HB THR A 96 8.326 5.698 0.445 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.695 7.916 1.380 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.262 6.119 2.875 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.129 4.602 2.534 1.00 0.00 H new ATOM 0 HG23 THR A 96 10.040 6.076 2.942 1.00 0.00 H new ATOM 1132 N ARG A 97 9.965 3.276 -0.578 1.00 0.00 N ATOM 1133 CA ARG A 97 9.990 1.823 -0.589 1.00 0.00 C ATOM 1134 C ARG A 97 9.209 1.289 -1.793 1.00 0.00 C ATOM 1135 O ARG A 97 8.086 1.718 -2.048 1.00 0.00 O ATOM 1136 CB ARG A 97 9.386 1.252 0.696 1.00 0.00 C ATOM 1137 CG ARG A 97 9.843 -0.190 0.922 1.00 0.00 C ATOM 1138 CD ARG A 97 9.321 -0.727 2.256 1.00 0.00 C ATOM 1139 NE ARG A 97 10.235 -0.334 3.352 1.00 0.00 N ATOM 1140 CZ ARG A 97 10.028 -0.626 4.644 1.00 0.00 C ATOM 1141 NH1 ARG A 97 8.938 -1.315 5.009 1.00 0.00 N ATOM 1142 NH2 ARG A 97 10.911 -0.229 5.570 1.00 0.00 N ATOM 0 H ARG A 97 9.450 3.700 -1.350 1.00 0.00 H new ATOM 0 HA ARG A 97 11.032 1.509 -0.658 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.680 1.868 1.546 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.298 1.288 0.638 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.486 -0.820 0.107 1.00 0.00 H new ATOM 0 HG3 ARG A 97 10.932 -0.237 0.908 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.321 -0.338 2.448 1.00 0.00 H new ATOM 0 HD3 ARG A 97 9.237 -1.813 2.213 1.00 0.00 H new ATOM 0 HE ARG A 97 11.075 0.192 3.109 1.00 0.00 H new ATOM 0 HH11 ARG A 97 8.266 -1.617 4.304 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.781 -1.537 5.992 1.00 0.00 H new ATOM 0 HH21 ARG A 97 11.741 0.295 5.292 1.00 0.00 H new ATOM 0 HH22 ARG A 97 10.754 -0.451 6.553 1.00 0.00 H new ATOM 1153 N ASN A 98 9.837 0.360 -2.499 1.00 0.00 N ATOM 1154 CA ASN A 98 9.217 -0.238 -3.668 1.00 0.00 C ATOM 1155 C ASN A 98 7.969 -1.013 -3.239 1.00 0.00 C ATOM 1156 O ASN A 98 7.645 -1.066 -2.054 1.00 0.00 O ATOM 1157 CB ASN A 98 10.169 -1.218 -4.357 1.00 0.00 C ATOM 1158 CG ASN A 98 11.606 -0.695 -4.331 1.00 0.00 C ATOM 1159 OD1 ASN A 98 12.079 -0.057 -5.259 1.00 0.00 O ATOM 1160 ND2 ASN A 98 12.273 -0.998 -3.222 1.00 0.00 N ATOM 0 H ASN A 98 10.769 0.007 -2.283 1.00 0.00 H new ATOM 0 HA ASN A 98 8.962 0.564 -4.361 1.00 0.00 H new ATOM 0 HB2 ASN A 98 10.122 -2.187 -3.860 1.00 0.00 H new ATOM 0 HB3 ASN A 98 9.853 -1.373 -5.389 1.00 0.00 H new ATOM 0 HD21 ASN A 98 13.240 -0.694 -3.109 1.00 0.00 H new ATOM 0 HD22 ASN A 98 11.818 -1.535 -2.484 1.00 0.00 H new ATOM 1166 N ALA A 99 7.305 -1.595 -4.226 1.00 0.00 N ATOM 1167 CA ALA A 99 6.101 -2.365 -3.965 1.00 0.00 C ATOM 1168 C ALA A 99 5.468 -2.780 -5.294 1.00 0.00 C ATOM 1169 O ALA A 99 5.883 -2.317 -6.356 1.00 0.00 O ATOM 1170 CB ALA A 99 5.147 -1.542 -3.096 1.00 0.00 C ATOM 0 H ALA A 99 7.578 -1.549 -5.208 1.00 0.00 H new ATOM 0 HA ALA A 99 6.339 -3.276 -3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.244 -2.119 -2.900 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.634 -1.298 -2.152 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.883 -0.621 -3.617 1.00 0.00 H new ATOM 1176 N TYR A 100 4.472 -3.648 -5.194 1.00 0.00 N ATOM 1177 CA TYR A 100 3.778 -4.131 -6.376 1.00 0.00 C ATOM 1178 C TYR A 100 2.284 -4.313 -6.098 1.00 0.00 C ATOM 1179 O TYR A 100 1.901 -4.789 -5.030 1.00 0.00 O ATOM 1180 CB TYR A 100 4.394 -5.493 -6.701 1.00 0.00 C ATOM 1181 CG TYR A 100 5.891 -5.442 -7.009 1.00 0.00 C ATOM 1182 CD1 TYR A 100 6.408 -4.396 -7.746 1.00 0.00 C ATOM 1183 CD2 TYR A 100 6.726 -6.440 -6.549 1.00 0.00 C ATOM 1184 CE1 TYR A 100 7.818 -4.347 -8.037 1.00 0.00 C ATOM 1185 CE2 TYR A 100 8.135 -6.391 -6.840 1.00 0.00 C ATOM 1186 CZ TYR A 100 8.611 -5.347 -7.568 1.00 0.00 C ATOM 1187 OH TYR A 100 9.943 -5.300 -7.843 1.00 0.00 O ATOM 0 H TYR A 100 4.129 -4.029 -4.312 1.00 0.00 H new ATOM 0 HA TYR A 100 3.879 -3.421 -7.197 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.230 -6.165 -5.858 1.00 0.00 H new ATOM 0 HB3 TYR A 100 3.872 -5.921 -7.557 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.755 -3.614 -8.105 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.322 -7.258 -5.971 1.00 0.00 H new ATOM 0 HE1 TYR A 100 8.235 -3.535 -8.614 1.00 0.00 H new ATOM 0 HE2 TYR A 100 8.799 -7.167 -6.488 1.00 0.00 H new ATOM 0 HH TYR A 100 10.387 -6.078 -7.445 1.00 0.00 H new ATOM 1196 N ARG A 101 1.481 -3.926 -7.078 1.00 0.00 N ATOM 1197 CA ARG A 101 0.038 -4.041 -6.952 1.00 0.00 C ATOM 1198 C ARG A 101 -0.564 -4.597 -8.243 1.00 0.00 C ATOM 1199 O ARG A 101 -0.310 -4.075 -9.327 1.00 0.00 O ATOM 1200 CB ARG A 101 -0.597 -2.683 -6.645 1.00 0.00 C ATOM 1201 CG ARG A 101 -1.132 -2.639 -5.212 1.00 0.00 C ATOM 1202 CD ARG A 101 -2.460 -1.881 -5.145 1.00 0.00 C ATOM 1203 NE ARG A 101 -3.428 -2.629 -4.310 1.00 0.00 N ATOM 1204 CZ ARG A 101 -3.526 -2.503 -2.979 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -2.716 -1.660 -2.325 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -4.433 -3.222 -2.304 1.00 0.00 N ATOM 0 H ARG A 101 1.802 -3.533 -7.963 1.00 0.00 H new ATOM 0 HA ARG A 101 -0.170 -4.722 -6.127 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.140 -1.893 -6.786 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.409 -2.490 -7.346 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -1.270 -3.654 -4.840 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.401 -2.158 -4.562 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -2.300 -0.887 -4.728 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.862 -1.745 -6.149 1.00 0.00 H new ATOM 0 HE ARG A 101 -4.059 -3.280 -4.777 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.025 -1.114 -2.840 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.790 -1.564 -1.312 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -5.048 -3.865 -2.803 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.508 -3.127 -1.291 1.00 0.00 H new ATOM 1217 N GLU A 102 -1.353 -5.651 -8.084 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.993 -6.285 -9.224 1.00 0.00 C ATOM 1219 C GLU A 102 -3.503 -6.039 -9.189 1.00 0.00 C ATOM 1220 O GLU A 102 -4.100 -5.974 -8.116 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.683 -7.782 -9.264 1.00 0.00 C ATOM 1222 CG GLU A 102 -2.451 -8.471 -10.395 1.00 0.00 C ATOM 1223 CD GLU A 102 -2.341 -9.994 -10.284 1.00 0.00 C ATOM 1224 OE1 GLU A 102 -2.679 -10.509 -9.197 1.00 0.00 O ATOM 1225 OE2 GLU A 102 -1.921 -10.606 -11.290 1.00 0.00 O ATOM 0 H GLU A 102 -1.563 -6.081 -7.183 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.593 -5.840 -10.135 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.612 -7.932 -9.403 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.948 -8.237 -8.310 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.499 -8.175 -10.361 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.059 -8.144 -11.358 1.00 0.00 H new ATOM 1230 N CYS A 103 -4.077 -5.908 -10.376 1.00 0.00 N ATOM 1231 CA CYS A 103 -5.506 -5.671 -10.494 1.00 0.00 C ATOM 1232 C CYS A 103 -6.116 -6.811 -11.311 1.00 0.00 C ATOM 1233 O CYS A 103 -5.840 -6.943 -12.502 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.803 -4.304 -11.113 1.00 0.00 C ATOM 1235 SG CYS A 103 -6.548 -3.088 -9.966 1.00 0.00 S ATOM 0 H CYS A 103 -3.579 -5.961 -11.264 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.957 -5.654 -9.502 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.875 -3.890 -11.507 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.475 -4.443 -11.960 1.00 0.00 H new ATOM 1239 N LEU A 104 -6.934 -7.607 -10.637 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.586 -8.732 -11.286 1.00 0.00 C ATOM 1241 C LEU A 104 -8.391 -8.227 -12.485 1.00 0.00 C ATOM 1242 O LEU A 104 -8.431 -7.026 -12.749 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.419 -9.523 -10.275 1.00 0.00 C ATOM 1244 CG LEU A 104 -7.658 -10.553 -9.438 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -8.197 -10.604 -8.007 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -7.678 -11.928 -10.108 1.00 0.00 C ATOM 0 H LEU A 104 -7.160 -7.495 -9.649 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.845 -9.432 -11.672 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.898 -8.817 -9.597 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.214 -10.038 -10.814 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.616 -10.240 -9.378 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.638 -11.344 -7.434 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.086 -9.625 -7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.251 -10.879 -8.025 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.130 -12.641 -9.492 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.709 -12.263 -10.220 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.209 -11.861 -11.090 1.00 0.00 H new ATOM 1257 N GLU A 105 -9.012 -9.170 -13.179 1.00 0.00 N ATOM 1258 CA GLU A 105 -9.813 -8.836 -14.344 1.00 0.00 C ATOM 1259 C GLU A 105 -11.220 -8.409 -13.917 1.00 0.00 C ATOM 1260 O GLU A 105 -12.064 -8.109 -14.760 1.00 0.00 O ATOM 1261 CB GLU A 105 -9.871 -10.009 -15.325 1.00 0.00 C ATOM 1262 CG GLU A 105 -10.688 -11.166 -14.749 1.00 0.00 C ATOM 1263 CD GLU A 105 -10.288 -12.495 -15.393 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -10.383 -12.574 -16.637 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -9.895 -13.402 -14.627 1.00 0.00 O ATOM 0 H GLU A 105 -8.976 -10.165 -12.957 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.340 -7.999 -14.857 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.313 -9.680 -16.265 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.860 -10.350 -15.550 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.537 -11.221 -13.671 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -11.750 -10.983 -14.914 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.427 -8.396 -12.608 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.716 -8.011 -12.060 1.00 0.00 C ATOM 1272 C ASN A 106 -12.644 -6.566 -11.564 1.00 0.00 C ATOM 1273 O ASN A 106 -13.620 -6.038 -11.033 1.00 0.00 O ATOM 1274 CB ASN A 106 -13.096 -8.899 -10.872 1.00 0.00 C ATOM 1275 CG ASN A 106 -14.568 -9.310 -10.945 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -15.455 -8.624 -10.464 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -14.777 -10.465 -11.570 1.00 0.00 N ATOM 0 H ASN A 106 -10.724 -8.646 -11.912 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.463 -8.120 -12.847 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.466 -9.789 -10.862 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.909 -8.366 -9.940 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.726 -10.827 -11.670 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -13.989 -10.989 -11.950 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.478 -5.966 -11.757 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.265 -4.591 -11.336 1.00 0.00 C ATOM 1285 C GLY A 107 -10.962 -4.516 -9.838 1.00 0.00 C ATOM 1286 O GLY A 107 -11.166 -3.478 -9.211 1.00 0.00 O ATOM 0 H GLY A 107 -10.671 -6.407 -12.199 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.439 -4.158 -11.900 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.150 -3.997 -11.562 1.00 0.00 H new ATOM 1290 N THR A 108 -10.482 -5.631 -9.308 1.00 0.00 N ATOM 1291 CA THR A 108 -10.148 -5.705 -7.896 1.00 0.00 C ATOM 1292 C THR A 108 -8.631 -5.675 -7.703 1.00 0.00 C ATOM 1293 O THR A 108 -7.882 -6.112 -8.576 1.00 0.00 O ATOM 1294 CB THR A 108 -10.809 -6.959 -7.319 1.00 0.00 C ATOM 1295 OG1 THR A 108 -10.467 -7.987 -8.244 1.00 0.00 O ATOM 1296 CG2 THR A 108 -12.337 -6.896 -7.378 1.00 0.00 C ATOM 0 H THR A 108 -10.316 -6.491 -9.831 1.00 0.00 H new ATOM 0 HA THR A 108 -10.529 -4.839 -7.354 1.00 0.00 H new ATOM 0 HB THR A 108 -10.492 -7.094 -6.285 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.854 -8.837 -7.946 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.755 -7.810 -6.956 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.688 -6.038 -6.805 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.657 -6.795 -8.415 1.00 0.00 H new ATOM 1304 N TRP A 109 -8.222 -5.155 -6.555 1.00 0.00 N ATOM 1305 CA TRP A 109 -6.807 -5.062 -6.237 1.00 0.00 C ATOM 1306 C TRP A 109 -6.313 -6.462 -5.869 1.00 0.00 C ATOM 1307 O TRP A 109 -7.036 -7.443 -6.033 1.00 0.00 O ATOM 1308 CB TRP A 109 -6.560 -4.031 -5.134 1.00 0.00 C ATOM 1309 CG TRP A 109 -6.377 -2.602 -5.647 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -7.038 -1.499 -5.271 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -5.439 -2.163 -6.652 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -6.598 -0.385 -5.958 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -5.594 -0.802 -6.824 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -4.491 -2.891 -7.392 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -4.835 -0.052 -7.731 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -3.740 -2.127 -8.294 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -3.885 -0.757 -8.479 1.00 0.00 C ATOM 0 H TRP A 109 -8.846 -4.794 -5.833 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.240 -4.708 -7.098 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -7.398 -4.051 -4.438 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -5.672 -4.321 -4.572 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.818 -1.483 -4.524 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.946 0.568 -5.850 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -4.353 -3.956 -7.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -4.975 1.013 -7.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -2.996 -2.638 -8.887 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -3.267 -0.239 -9.197 1.00 0.00 H new ATOM 1327 N ALA A 110 -5.082 -6.510 -5.378 1.00 0.00 N ATOM 1328 CA ALA A 110 -4.482 -7.774 -4.985 1.00 0.00 C ATOM 1329 C ALA A 110 -4.650 -7.966 -3.476 1.00 0.00 C ATOM 1330 O ALA A 110 -5.603 -7.460 -2.884 1.00 0.00 O ATOM 1331 CB ALA A 110 -3.015 -7.798 -5.416 1.00 0.00 C ATOM 0 H ALA A 110 -4.485 -5.694 -5.244 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.981 -8.607 -5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -2.565 -8.746 -5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -2.952 -7.687 -6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.481 -6.978 -4.936 1.00 0.00 H new ATOM 1337 N SER A 111 -3.710 -8.698 -2.897 1.00 0.00 N ATOM 1338 CA SER A 111 -3.742 -8.963 -1.469 1.00 0.00 C ATOM 1339 C SER A 111 -3.077 -7.814 -0.709 1.00 0.00 C ATOM 1340 O SER A 111 -3.752 -7.034 -0.038 1.00 0.00 O ATOM 1341 CB SER A 111 -3.050 -10.288 -1.139 1.00 0.00 C ATOM 1342 OG SER A 111 -1.779 -10.398 -1.772 1.00 0.00 O ATOM 0 H SER A 111 -2.921 -9.116 -3.391 1.00 0.00 H new ATOM 0 HA SER A 111 -4.784 -9.041 -1.159 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.926 -10.373 -0.059 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.685 -11.117 -1.453 1.00 0.00 H new ATOM 0 HG SER A 111 -1.369 -11.256 -1.535 1.00 0.00 H new ATOM 1347 N ARG A 112 -1.760 -7.745 -0.838 1.00 0.00 N ATOM 1348 CA ARG A 112 -0.996 -6.705 -0.171 1.00 0.00 C ATOM 1349 C ARG A 112 0.044 -6.115 -1.126 1.00 0.00 C ATOM 1350 O ARG A 112 0.532 -6.803 -2.021 1.00 0.00 O ATOM 1351 CB ARG A 112 -0.286 -7.251 1.069 1.00 0.00 C ATOM 1352 CG ARG A 112 -0.676 -6.458 2.318 1.00 0.00 C ATOM 1353 CD ARG A 112 -1.236 -7.381 3.402 1.00 0.00 C ATOM 1354 NE ARG A 112 -0.295 -7.451 4.542 1.00 0.00 N ATOM 1355 CZ ARG A 112 -0.503 -8.185 5.644 1.00 0.00 C ATOM 1356 NH1 ARG A 112 -1.621 -8.917 5.760 1.00 0.00 N ATOM 1357 NH2 ARG A 112 0.405 -8.189 6.629 1.00 0.00 N ATOM 0 H ARG A 112 -1.203 -8.393 -1.395 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.695 -5.927 0.137 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.542 -8.302 1.206 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.793 -7.202 0.925 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.195 -5.927 2.702 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.419 -5.705 2.057 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -2.204 -7.012 3.741 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.400 -8.378 2.993 1.00 0.00 H new ATOM 0 HE ARG A 112 0.566 -6.907 4.486 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.312 -8.915 5.010 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.780 -9.476 6.598 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.256 -7.633 6.541 1.00 0.00 H new ATOM 0 HH22 ARG A 112 0.246 -8.748 7.467 1.00 0.00 H new ATOM 1368 N VAL A 113 0.352 -4.845 -0.904 1.00 0.00 N ATOM 1369 CA VAL A 113 1.325 -4.155 -1.734 1.00 0.00 C ATOM 1370 C VAL A 113 2.612 -3.942 -0.934 1.00 0.00 C ATOM 1371 O VAL A 113 2.644 -3.134 -0.007 1.00 0.00 O ATOM 1372 CB VAL A 113 0.728 -2.850 -2.264 1.00 0.00 C ATOM 1373 CG1 VAL A 113 0.339 -1.918 -1.114 1.00 0.00 C ATOM 1374 CG2 VAL A 113 1.694 -2.157 -3.228 1.00 0.00 C ATOM 0 H VAL A 113 -0.055 -4.276 -0.162 1.00 0.00 H new ATOM 0 HA VAL A 113 1.580 -4.758 -2.605 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.178 -3.097 -2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.083 -0.998 -1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.401 -2.409 -0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.223 -1.682 -0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.245 -1.232 -3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.625 -1.930 -2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.900 -2.815 -4.072 1.00 0.00 H new ATOM 1384 N ASN A 114 3.641 -4.682 -1.322 1.00 0.00 N ATOM 1385 CA ASN A 114 4.926 -4.584 -0.653 1.00 0.00 C ATOM 1386 C ASN A 114 5.885 -5.620 -1.244 1.00 0.00 C ATOM 1387 O ASN A 114 5.622 -6.820 -1.182 1.00 0.00 O ATOM 1388 CB ASN A 114 4.791 -4.866 0.845 1.00 0.00 C ATOM 1389 CG ASN A 114 4.456 -6.338 1.097 1.00 0.00 C ATOM 1390 OD1 ASN A 114 3.311 -6.756 1.061 1.00 0.00 O ATOM 1391 ND2 ASN A 114 5.518 -7.097 1.354 1.00 0.00 N ATOM 0 H ASN A 114 3.610 -5.351 -2.091 1.00 0.00 H new ATOM 0 HA ASN A 114 5.304 -3.572 -0.797 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.721 -4.609 1.353 1.00 0.00 H new ATOM 0 HB3 ASN A 114 4.011 -4.234 1.269 1.00 0.00 H new ATOM 0 HD21 ASN A 114 5.400 -8.094 1.536 1.00 0.00 H new ATOM 0 HD22 ASN A 114 6.450 -6.682 1.369 1.00 0.00 H new ATOM 1397 N TYR A 115 6.975 -5.118 -1.804 1.00 0.00 N ATOM 1398 CA TYR A 115 7.974 -5.985 -2.407 1.00 0.00 C ATOM 1399 C TYR A 115 9.278 -5.227 -2.661 1.00 0.00 C ATOM 1400 O TYR A 115 9.312 -4.297 -3.465 1.00 0.00 O ATOM 1401 CB TYR A 115 7.389 -6.434 -3.748 1.00 0.00 C ATOM 1402 CG TYR A 115 6.205 -7.394 -3.621 1.00 0.00 C ATOM 1403 CD1 TYR A 115 6.426 -8.736 -3.386 1.00 0.00 C ATOM 1404 CD2 TYR A 115 4.915 -6.918 -3.740 1.00 0.00 C ATOM 1405 CE1 TYR A 115 5.313 -9.640 -3.266 1.00 0.00 C ATOM 1406 CE2 TYR A 115 3.800 -7.823 -3.620 1.00 0.00 C ATOM 1407 CZ TYR A 115 4.054 -9.138 -3.389 1.00 0.00 C ATOM 1408 OH TYR A 115 3.001 -9.992 -3.276 1.00 0.00 O ATOM 0 H TYR A 115 7.189 -4.122 -1.853 1.00 0.00 H new ATOM 0 HA TYR A 115 8.202 -6.823 -1.748 1.00 0.00 H new ATOM 0 HB2 TYR A 115 7.071 -5.554 -4.307 1.00 0.00 H new ATOM 0 HB3 TYR A 115 8.173 -6.916 -4.332 1.00 0.00 H new ATOM 0 HD1 TYR A 115 7.436 -9.108 -3.292 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.741 -5.868 -3.923 1.00 0.00 H new ATOM 0 HE1 TYR A 115 5.473 -10.692 -3.083 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.785 -7.464 -3.712 1.00 0.00 H new ATOM 0 HH TYR A 115 2.163 -9.495 -3.384 1.00 0.00 H new ATOM 1417 N SER A 116 10.319 -5.651 -1.959 1.00 0.00 N ATOM 1418 CA SER A 116 11.622 -5.023 -2.099 1.00 0.00 C ATOM 1419 C SER A 116 12.283 -5.474 -3.403 1.00 0.00 C ATOM 1420 O SER A 116 11.990 -4.938 -4.470 1.00 0.00 O ATOM 1421 CB SER A 116 12.521 -5.351 -0.906 1.00 0.00 C ATOM 1422 OG SER A 116 12.179 -4.588 0.248 1.00 0.00 O ATOM 0 H SER A 116 10.286 -6.422 -1.292 1.00 0.00 H new ATOM 0 HA SER A 116 11.481 -3.943 -2.127 1.00 0.00 H new ATOM 0 HB2 SER A 116 12.442 -6.413 -0.674 1.00 0.00 H new ATOM 0 HB3 SER A 116 13.560 -5.159 -1.172 1.00 0.00 H new ATOM 0 HG SER A 116 12.775 -4.828 0.988 1.00 0.00 H new ATOM 1427 N HIS A 117 13.163 -6.456 -3.274 1.00 0.00 N ATOM 1428 CA HIS A 117 13.869 -6.986 -4.428 1.00 0.00 C ATOM 1429 C HIS A 117 14.573 -5.845 -5.166 1.00 0.00 C ATOM 1430 O HIS A 117 14.988 -6.006 -6.313 1.00 0.00 O ATOM 1431 CB HIS A 117 12.920 -7.777 -5.329 1.00 0.00 C ATOM 1432 CG HIS A 117 13.489 -9.086 -5.822 1.00 0.00 C ATOM 1433 ND1 HIS A 117 14.225 -9.935 -5.014 1.00 0.00 N ATOM 1434 CD2 HIS A 117 13.424 -9.682 -7.047 1.00 0.00 C ATOM 1435 CE1 HIS A 117 14.580 -10.991 -5.731 1.00 0.00 C ATOM 1436 NE2 HIS A 117 14.083 -10.832 -6.991 1.00 0.00 N ATOM 0 H HIS A 117 13.403 -6.899 -2.387 1.00 0.00 H new ATOM 0 HA HIS A 117 14.635 -7.689 -4.100 1.00 0.00 H new ATOM 0 HB2 HIS A 117 11.998 -7.976 -4.782 1.00 0.00 H new ATOM 0 HB3 HIS A 117 12.654 -7.162 -6.188 1.00 0.00 H new ATOM 0 HD2 HIS A 117 12.921 -9.285 -7.916 1.00 0.00 H new ATOM 0 HE1 HIS A 117 15.161 -11.831 -5.379 1.00 0.00 H new ATOM 0 HE2 HIS A 117 14.199 -11.489 -7.763 1.00 0.00 H new ATOM 1443 N CYS A 118 14.686 -4.719 -4.478 1.00 0.00 N ATOM 1444 CA CYS A 118 15.333 -3.552 -5.054 1.00 0.00 C ATOM 1445 C CYS A 118 16.501 -3.155 -4.149 1.00 0.00 C ATOM 1446 O CYS A 118 17.591 -2.850 -4.633 1.00 0.00 O ATOM 1447 CB CYS A 118 14.348 -2.399 -5.253 1.00 0.00 C ATOM 1448 SG CYS A 118 14.954 -1.046 -6.326 1.00 0.00 S ATOM 0 H CYS A 118 14.341 -4.589 -3.527 1.00 0.00 H new ATOM 0 HA CYS A 118 15.710 -3.796 -6.047 1.00 0.00 H new ATOM 0 HB2 CYS A 118 13.427 -2.797 -5.679 1.00 0.00 H new ATOM 0 HB3 CYS A 118 14.095 -1.984 -4.277 1.00 0.00 H new ATOM 1452 N GLU A 119 16.234 -3.170 -2.851 1.00 0.00 N ATOM 1453 CA GLU A 119 17.250 -2.815 -1.875 1.00 0.00 C ATOM 1454 C GLU A 119 18.566 -3.525 -2.195 1.00 0.00 C ATOM 1455 O GLU A 119 19.623 -2.897 -2.223 1.00 0.00 O ATOM 1456 CB GLU A 119 16.782 -3.142 -0.455 1.00 0.00 C ATOM 1457 CG GLU A 119 16.837 -1.902 0.439 1.00 0.00 C ATOM 1458 CD GLU A 119 16.985 -2.292 1.912 1.00 0.00 C ATOM 1459 OE1 GLU A 119 16.207 -3.167 2.347 1.00 0.00 O ATOM 1460 OE2 GLU A 119 17.874 -1.707 2.566 1.00 0.00 O ATOM 0 H GLU A 119 15.329 -3.422 -2.453 1.00 0.00 H new ATOM 0 HA GLU A 119 17.418 -1.739 -1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.763 -3.529 -0.484 1.00 0.00 H new ATOM 0 HB3 GLU A 119 17.409 -3.927 -0.033 1.00 0.00 H new ATOM 0 HG2 GLU A 119 17.674 -1.271 0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 119 15.930 -1.312 0.305 1.00 0.00 H new ATOM 1465 N PRO A 120 18.457 -4.859 -2.435 1.00 0.00 N ATOM 1466 CA PRO A 120 19.625 -5.661 -2.753 1.00 0.00 C ATOM 1467 C PRO A 120 20.092 -5.407 -4.188 1.00 0.00 C ATOM 1468 O PRO A 120 20.171 -6.334 -4.992 1.00 0.00 O ATOM 1469 CB PRO A 120 19.192 -7.099 -2.516 1.00 0.00 C ATOM 1470 CG PRO A 120 17.672 -7.084 -2.524 1.00 0.00 C ATOM 1471 CD PRO A 120 17.220 -5.637 -2.410 1.00 0.00 C ATOM 0 HA PRO A 120 20.487 -5.411 -2.134 1.00 0.00 H new ATOM 0 HB2 PRO A 120 19.580 -7.757 -3.294 1.00 0.00 H new ATOM 0 HB3 PRO A 120 19.574 -7.470 -1.565 1.00 0.00 H new ATOM 0 HG2 PRO A 120 17.291 -7.532 -3.442 1.00 0.00 H new ATOM 0 HG3 PRO A 120 17.280 -7.673 -1.695 1.00 0.00 H new ATOM 0 HD2 PRO A 120 16.562 -5.361 -3.234 1.00 0.00 H new ATOM 0 HD3 PRO A 120 16.664 -5.467 -1.488 1.00 0.00 H new ATOM 1476 N ILE A 121 20.388 -4.146 -4.464 1.00 0.00 N ATOM 1477 CA ILE A 121 20.844 -3.757 -5.788 1.00 0.00 C ATOM 1478 C ILE A 121 22.373 -3.701 -5.799 1.00 0.00 C ATOM 1479 O ILE A 121 22.957 -2.686 -6.174 1.00 0.00 O ATOM 1480 CB ILE A 121 20.178 -2.450 -6.222 1.00 0.00 C ATOM 1481 CG1 ILE A 121 20.540 -2.104 -7.669 1.00 0.00 C ATOM 1482 CG2 ILE A 121 20.520 -1.313 -5.258 1.00 0.00 C ATOM 1483 CD1 ILE A 121 19.378 -1.399 -8.371 1.00 0.00 C ATOM 0 H ILE A 121 20.321 -3.380 -3.794 1.00 0.00 H new ATOM 0 HA ILE A 121 20.546 -4.500 -6.527 1.00 0.00 H new ATOM 0 HB ILE A 121 19.098 -2.589 -6.185 1.00 0.00 H new ATOM 0 HG12 ILE A 121 21.421 -1.463 -7.684 1.00 0.00 H new ATOM 0 HG13 ILE A 121 20.799 -3.014 -8.211 1.00 0.00 H new ATOM 0 HG21 ILE A 121 20.034 -0.396 -5.590 1.00 0.00 H new ATOM 0 HG22 ILE A 121 20.171 -1.567 -4.257 1.00 0.00 H new ATOM 0 HG23 ILE A 121 21.600 -1.165 -5.239 1.00 0.00 H new ATOM 0 HD11 ILE A 121 19.661 -1.164 -9.397 1.00 0.00 H new ATOM 0 HD12 ILE A 121 18.506 -2.052 -8.376 1.00 0.00 H new ATOM 0 HD13 ILE A 121 19.138 -0.477 -7.841 1.00 0.00 H new ATOM 1494 N LEU A 122 22.977 -4.804 -5.384 1.00 0.00 N ATOM 1495 CA LEU A 122 24.427 -4.894 -5.342 1.00 0.00 C ATOM 1496 C LEU A 122 25.002 -3.557 -4.870 1.00 0.00 C ATOM 1497 O LEU A 122 25.938 -3.033 -5.472 1.00 0.00 O ATOM 1498 CB LEU A 122 24.974 -5.357 -6.693 1.00 0.00 C ATOM 1499 CG LEU A 122 26.224 -6.239 -6.643 1.00 0.00 C ATOM 1500 CD1 LEU A 122 26.042 -7.496 -7.496 1.00 0.00 C ATOM 1501 CD2 LEU A 122 27.470 -5.448 -7.048 1.00 0.00 C ATOM 0 H LEU A 122 22.489 -5.644 -5.073 1.00 0.00 H new ATOM 0 HA LEU A 122 24.742 -5.649 -4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 122 24.188 -5.904 -7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 122 25.199 -4.475 -7.293 1.00 0.00 H new ATOM 0 HG LEU A 122 26.370 -6.566 -5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 122 26.944 -8.105 -7.443 1.00 0.00 H new ATOM 0 HD12 LEU A 122 25.194 -8.070 -7.122 1.00 0.00 H new ATOM 0 HD13 LEU A 122 25.858 -7.210 -8.531 1.00 0.00 H new ATOM 0 HD21 LEU A 122 28.344 -6.098 -7.004 1.00 0.00 H new ATOM 0 HD22 LEU A 122 27.348 -5.072 -8.064 1.00 0.00 H new ATOM 0 HD23 LEU A 122 27.607 -4.610 -6.365 1.00 0.00 H new ATOM 1512 N ASP A 123 24.418 -3.042 -3.798 1.00 0.00 N ATOM 1513 CA ASP A 123 24.861 -1.777 -3.239 1.00 0.00 C ATOM 1514 C ASP A 123 23.984 -1.420 -2.038 1.00 0.00 C ATOM 1515 O ASP A 123 22.936 -0.794 -2.193 1.00 0.00 O ATOM 1516 CB ASP A 123 24.739 -0.649 -4.265 1.00 0.00 C ATOM 1517 CG ASP A 123 25.356 0.685 -3.837 1.00 0.00 C ATOM 1518 OD1 ASP A 123 26.527 0.654 -3.402 1.00 0.00 O ATOM 1519 OD2 ASP A 123 24.643 1.704 -3.955 1.00 0.00 O ATOM 0 H ASP A 123 23.641 -3.479 -3.302 1.00 0.00 H new ATOM 0 HA ASP A 123 25.905 -1.886 -2.944 1.00 0.00 H new ATOM 0 HB2 ASP A 123 25.212 -0.970 -5.193 1.00 0.00 H new ATOM 0 HB3 ASP A 123 23.683 -0.490 -4.484 1.00 0.00 H new ATOM 1523 N ASP A 124 24.444 -1.833 -0.866 1.00 0.00 N ATOM 1524 CA ASP A 124 23.714 -1.565 0.362 1.00 0.00 C ATOM 1525 C ASP A 124 24.523 -2.077 1.555 1.00 0.00 C ATOM 1526 O ASP A 124 25.510 -2.790 1.378 1.00 0.00 O ATOM 1527 CB ASP A 124 22.361 -2.280 0.366 1.00 0.00 C ATOM 1528 CG ASP A 124 21.526 -2.075 1.631 1.00 0.00 C ATOM 1529 OD1 ASP A 124 21.199 -0.902 1.911 1.00 0.00 O ATOM 1530 OD2 ASP A 124 21.232 -3.097 2.289 1.00 0.00 O ATOM 0 H ASP A 124 25.313 -2.351 -0.741 1.00 0.00 H new ATOM 0 HA ASP A 124 23.554 -0.489 0.430 1.00 0.00 H new ATOM 0 HB2 ASP A 124 21.783 -1.937 -0.492 1.00 0.00 H new ATOM 0 HB3 ASP A 124 22.531 -3.348 0.230 1.00 0.00 H new ATOM 1534 N LYS A 125 24.076 -1.695 2.741 1.00 0.00 N ATOM 1535 CA LYS A 125 24.747 -2.108 3.963 1.00 0.00 C ATOM 1536 C LYS A 125 23.734 -2.777 4.894 1.00 0.00 C ATOM 1537 O LYS A 125 22.688 -2.204 5.194 1.00 0.00 O ATOM 1538 CB LYS A 125 25.478 -0.923 4.598 1.00 0.00 C ATOM 1539 CG LYS A 125 26.143 -1.333 5.914 1.00 0.00 C ATOM 1540 CD LYS A 125 25.392 -0.750 7.112 1.00 0.00 C ATOM 1541 CE LYS A 125 25.918 0.644 7.464 1.00 0.00 C ATOM 1542 NZ LYS A 125 24.951 1.683 7.044 1.00 0.00 N ATOM 0 H LYS A 125 23.257 -1.104 2.883 1.00 0.00 H new ATOM 0 HA LYS A 125 25.517 -2.848 3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 125 26.232 -0.543 3.908 1.00 0.00 H new ATOM 0 HB3 LYS A 125 24.774 -0.111 4.779 1.00 0.00 H new ATOM 0 HG2 LYS A 125 26.168 -2.420 5.990 1.00 0.00 H new ATOM 0 HG3 LYS A 125 27.177 -0.989 5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 125 24.327 -0.694 6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 125 25.501 -1.412 7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 125 26.092 0.713 8.538 1.00 0.00 H new ATOM 0 HE3 LYS A 125 26.877 0.812 6.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 25.290 2.617 7.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 24.857 1.671 6.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 24.026 1.492 7.478 1.00 0.00 H new ATOM 1552 N GLN A 126 24.082 -3.980 5.326 1.00 0.00 N ATOM 1553 CA GLN A 126 23.216 -4.734 6.218 1.00 0.00 C ATOM 1554 C GLN A 126 22.705 -3.835 7.346 1.00 0.00 C ATOM 1555 O GLN A 126 23.191 -2.719 7.524 1.00 0.00 O ATOM 1556 CB GLN A 126 23.939 -5.960 6.777 1.00 0.00 C ATOM 1557 CG GLN A 126 25.140 -5.546 7.631 1.00 0.00 C ATOM 1558 CD GLN A 126 26.313 -6.510 7.431 1.00 0.00 C ATOM 1559 OE1 GLN A 126 26.267 -7.670 7.806 1.00 0.00 O ATOM 1560 NE2 GLN A 126 27.362 -5.965 6.823 1.00 0.00 N ATOM 0 H GLN A 126 24.951 -4.452 5.075 1.00 0.00 H new ATOM 0 HA GLN A 126 22.358 -5.089 5.647 1.00 0.00 H new ATOM 0 HB2 GLN A 126 23.248 -6.552 7.377 1.00 0.00 H new ATOM 0 HB3 GLN A 126 24.273 -6.595 5.957 1.00 0.00 H new ATOM 0 HG2 GLN A 126 25.447 -4.534 7.367 1.00 0.00 H new ATOM 0 HG3 GLN A 126 24.854 -5.528 8.683 1.00 0.00 H new ATOM 0 HE21 GLN A 126 27.333 -4.987 6.535 1.00 0.00 H new ATOM 0 HE22 GLN A 126 28.196 -6.525 6.644 1.00 0.00 H new ATOM 1567 N ARG A 127 21.733 -4.356 8.081 1.00 0.00 N ATOM 1568 CA ARG A 127 21.153 -3.616 9.187 1.00 0.00 C ATOM 1569 C ARG A 127 21.025 -4.515 10.419 1.00 0.00 C ATOM 1570 O ARG A 127 19.937 -4.667 10.971 1.00 0.00 O ATOM 1571 CB ARG A 127 19.772 -3.069 8.819 1.00 0.00 C ATOM 1572 CG ARG A 127 19.235 -2.150 9.919 1.00 0.00 C ATOM 1573 CD ARG A 127 17.706 -2.183 9.963 1.00 0.00 C ATOM 1574 NE ARG A 127 17.250 -2.992 11.115 1.00 0.00 N ATOM 1575 CZ ARG A 127 17.450 -2.654 12.396 1.00 0.00 C ATOM 1576 NH1 ARG A 127 18.100 -1.521 12.696 1.00 0.00 N ATOM 1577 NH2 ARG A 127 17.000 -3.448 13.377 1.00 0.00 N ATOM 0 H ARG A 127 21.333 -5.282 7.931 1.00 0.00 H new ATOM 0 HA ARG A 127 21.816 -2.780 9.410 1.00 0.00 H new ATOM 0 HB2 ARG A 127 19.833 -2.520 7.879 1.00 0.00 H new ATOM 0 HB3 ARG A 127 19.080 -3.896 8.661 1.00 0.00 H new ATOM 0 HG2 ARG A 127 19.637 -2.459 10.884 1.00 0.00 H new ATOM 0 HG3 ARG A 127 19.575 -1.129 9.744 1.00 0.00 H new ATOM 0 HD2 ARG A 127 17.314 -1.169 10.043 1.00 0.00 H new ATOM 0 HD3 ARG A 127 17.316 -2.603 9.036 1.00 0.00 H new ATOM 0 HE ARG A 127 16.752 -3.861 10.922 1.00 0.00 H new ATOM 0 HH11 ARG A 127 18.442 -0.916 11.949 1.00 0.00 H new ATOM 0 HH12 ARG A 127 18.252 -1.263 13.671 1.00 0.00 H new ATOM 0 HH21 ARG A 127 16.505 -4.310 13.149 1.00 0.00 H new ATOM 0 HH22 ARG A 127 17.152 -3.190 14.352 1.00 0.00 H new ATOM 1588 N LYS A 128 22.154 -5.085 10.814 1.00 0.00 N ATOM 1589 CA LYS A 128 22.182 -5.965 11.970 1.00 0.00 C ATOM 1590 C LYS A 128 20.953 -6.875 11.944 1.00 0.00 C ATOM 1591 O LYS A 128 19.963 -6.607 12.623 1.00 0.00 O ATOM 1592 CB LYS A 128 22.318 -5.151 13.259 1.00 0.00 C ATOM 1593 CG LYS A 128 21.267 -4.041 13.319 1.00 0.00 C ATOM 1594 CD LYS A 128 21.304 -3.324 14.670 1.00 0.00 C ATOM 1595 CE LYS A 128 20.405 -2.086 14.659 1.00 0.00 C ATOM 1596 NZ LYS A 128 21.017 -0.994 15.447 1.00 0.00 N ATOM 0 H LYS A 128 23.055 -4.955 10.355 1.00 0.00 H new ATOM 0 HA LYS A 128 23.058 -6.613 11.935 1.00 0.00 H new ATOM 0 HB2 LYS A 128 22.208 -5.808 14.122 1.00 0.00 H new ATOM 0 HB3 LYS A 128 23.316 -4.716 13.315 1.00 0.00 H new ATOM 0 HG2 LYS A 128 21.444 -3.324 12.518 1.00 0.00 H new ATOM 0 HG3 LYS A 128 20.276 -4.464 13.155 1.00 0.00 H new ATOM 0 HD2 LYS A 128 20.980 -4.006 15.456 1.00 0.00 H new ATOM 0 HD3 LYS A 128 22.328 -3.032 14.903 1.00 0.00 H new ATOM 0 HE2 LYS A 128 20.244 -1.756 13.633 1.00 0.00 H new ATOM 0 HE3 LYS A 128 19.427 -2.336 15.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 20.394 -0.162 15.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 21.149 -1.307 16.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 21.940 -0.745 15.037 1.00 0.00 H new ATOM 1606 N TYR A 129 21.057 -7.933 11.154 1.00 0.00 N ATOM 1607 CA TYR A 129 19.966 -8.885 11.030 1.00 0.00 C ATOM 1608 C TYR A 129 20.370 -10.257 11.576 1.00 0.00 C ATOM 1609 O TYR A 129 21.490 -10.712 11.352 1.00 0.00 O ATOM 1610 CB TYR A 129 19.681 -9.009 9.532 1.00 0.00 C ATOM 1611 CG TYR A 129 18.603 -10.037 9.187 1.00 0.00 C ATOM 1612 CD1 TYR A 129 17.270 -9.718 9.346 1.00 0.00 C ATOM 1613 CD2 TYR A 129 18.963 -11.283 8.714 1.00 0.00 C ATOM 1614 CE1 TYR A 129 16.253 -10.686 9.021 1.00 0.00 C ATOM 1615 CE2 TYR A 129 17.947 -12.250 8.389 1.00 0.00 C ATOM 1616 CZ TYR A 129 16.643 -11.904 8.558 1.00 0.00 C ATOM 1617 OH TYR A 129 15.684 -12.818 8.251 1.00 0.00 O ATOM 0 H TYR A 129 21.880 -8.152 10.593 1.00 0.00 H new ATOM 0 HA TYR A 129 19.097 -8.547 11.594 1.00 0.00 H new ATOM 0 HB2 TYR A 129 19.376 -8.035 9.149 1.00 0.00 H new ATOM 0 HB3 TYR A 129 20.604 -9.279 9.018 1.00 0.00 H new ATOM 0 HD1 TYR A 129 16.989 -8.742 9.714 1.00 0.00 H new ATOM 0 HD2 TYR A 129 20.006 -11.532 8.588 1.00 0.00 H new ATOM 0 HE1 TYR A 129 15.206 -10.450 9.142 1.00 0.00 H new ATOM 0 HE2 TYR A 129 18.215 -13.229 8.019 1.00 0.00 H new ATOM 0 HH TYR A 129 16.108 -13.642 7.931 1.00 0.00 H new ATOM 1626 N ASP A 130 19.435 -10.876 12.281 1.00 0.00 N ATOM 1627 CA ASP A 130 19.679 -12.186 12.860 1.00 0.00 C ATOM 1628 C ASP A 130 18.520 -12.553 13.789 1.00 0.00 C ATOM 1629 O ASP A 130 17.762 -11.683 14.215 1.00 0.00 O ATOM 1630 CB ASP A 130 20.967 -12.192 13.688 1.00 0.00 C ATOM 1631 CG ASP A 130 21.204 -10.931 14.522 1.00 0.00 C ATOM 1632 OD1 ASP A 130 20.609 -10.857 15.619 1.00 0.00 O ATOM 1633 OD2 ASP A 130 21.974 -10.071 14.044 1.00 0.00 O ATOM 0 H ASP A 130 18.507 -10.495 12.464 1.00 0.00 H new ATOM 0 HA ASP A 130 19.771 -12.903 12.044 1.00 0.00 H new ATOM 0 HB2 ASP A 130 20.948 -13.053 14.356 1.00 0.00 H new ATOM 0 HB3 ASP A 130 21.813 -12.329 13.015 1.00 0.00 H new ATOM 1637 N LEU A 131 18.418 -13.842 14.074 1.00 0.00 N ATOM 1638 CA LEU A 131 17.363 -14.335 14.944 1.00 0.00 C ATOM 1639 C LEU A 131 17.720 -15.744 15.425 1.00 0.00 C ATOM 1640 O LEU A 131 17.767 -16.682 14.630 1.00 0.00 O ATOM 1641 CB LEU A 131 16.006 -14.251 14.242 1.00 0.00 C ATOM 1642 CG LEU A 131 14.811 -13.904 15.132 1.00 0.00 C ATOM 1643 CD1 LEU A 131 14.547 -12.397 15.133 1.00 0.00 C ATOM 1644 CD2 LEU A 131 13.572 -14.703 14.722 1.00 0.00 C ATOM 0 H LEU A 131 19.048 -14.561 13.718 1.00 0.00 H new ATOM 0 HA LEU A 131 17.277 -13.707 15.831 1.00 0.00 H new ATOM 0 HB2 LEU A 131 16.074 -13.504 13.451 1.00 0.00 H new ATOM 0 HB3 LEU A 131 15.809 -15.208 13.760 1.00 0.00 H new ATOM 0 HG LEU A 131 15.054 -14.189 16.156 1.00 0.00 H new ATOM 0 HD11 LEU A 131 13.693 -12.178 15.773 1.00 0.00 H new ATOM 0 HD12 LEU A 131 15.426 -11.874 15.509 1.00 0.00 H new ATOM 0 HD13 LEU A 131 14.334 -12.064 14.117 1.00 0.00 H new ATOM 0 HD21 LEU A 131 12.737 -14.438 15.370 1.00 0.00 H new ATOM 0 HD22 LEU A 131 13.316 -14.472 13.688 1.00 0.00 H new ATOM 0 HD23 LEU A 131 13.779 -15.769 14.815 1.00 0.00 H new ATOM 1655 N HIS A 132 17.964 -15.848 16.722 1.00 0.00 N ATOM 1656 CA HIS A 132 18.315 -17.125 17.318 1.00 0.00 C ATOM 1657 C HIS A 132 18.542 -16.946 18.820 1.00 0.00 C ATOM 1658 O HIS A 132 19.309 -16.079 19.237 1.00 0.00 O ATOM 1659 CB HIS A 132 19.520 -17.744 16.606 1.00 0.00 C ATOM 1660 CG HIS A 132 19.322 -19.185 16.204 1.00 0.00 C ATOM 1661 ND1 HIS A 132 18.954 -19.563 14.924 1.00 0.00 N ATOM 1662 CD2 HIS A 132 19.446 -20.337 16.925 1.00 0.00 C ATOM 1663 CE1 HIS A 132 18.862 -20.884 14.888 1.00 0.00 C ATOM 1664 NE2 HIS A 132 19.167 -21.362 16.130 1.00 0.00 N ATOM 0 H HIS A 132 17.926 -15.068 17.378 1.00 0.00 H new ATOM 0 HA HIS A 132 17.491 -17.827 17.192 1.00 0.00 H new ATOM 0 HB2 HIS A 132 19.744 -17.157 15.716 1.00 0.00 H new ATOM 0 HB3 HIS A 132 20.390 -17.676 17.260 1.00 0.00 H new ATOM 0 HD2 HIS A 132 19.724 -20.403 17.966 1.00 0.00 H new ATOM 0 HE1 HIS A 132 18.593 -21.478 14.027 1.00 0.00 H new ATOM 0 HE2 HIS A 132 19.178 -22.345 16.402 1.00 0.00 H new ATOM 1672 N TYR A 133 17.862 -17.780 19.593 1.00 0.00 N ATOM 1673 CA TYR A 133 17.980 -17.724 21.041 1.00 0.00 C ATOM 1674 C TYR A 133 18.269 -16.298 21.512 1.00 0.00 C ATOM 1675 O TYR A 133 17.356 -15.573 21.905 1.00 0.00 O ATOM 1676 CB TYR A 133 19.168 -18.619 21.401 1.00 0.00 C ATOM 1677 CG TYR A 133 19.851 -18.245 22.718 1.00 0.00 C ATOM 1678 CD1 TYR A 133 19.142 -18.294 23.901 1.00 0.00 C ATOM 1679 CD2 TYR A 133 21.176 -17.859 22.723 1.00 0.00 C ATOM 1680 CE1 TYR A 133 19.784 -17.942 25.141 1.00 0.00 C ATOM 1681 CE2 TYR A 133 21.818 -17.508 23.964 1.00 0.00 C ATOM 1682 CZ TYR A 133 21.091 -17.566 25.111 1.00 0.00 C ATOM 1683 OH TYR A 133 21.697 -17.235 26.281 1.00 0.00 O ATOM 0 H TYR A 133 17.227 -18.498 19.244 1.00 0.00 H new ATOM 0 HA TYR A 133 17.054 -18.048 21.515 1.00 0.00 H new ATOM 0 HB2 TYR A 133 18.826 -19.652 21.461 1.00 0.00 H new ATOM 0 HB3 TYR A 133 19.902 -18.572 20.597 1.00 0.00 H new ATOM 0 HD1 TYR A 133 18.105 -18.596 23.897 1.00 0.00 H new ATOM 0 HD2 TYR A 133 21.731 -17.820 21.797 1.00 0.00 H new ATOM 0 HE1 TYR A 133 19.240 -17.976 26.074 1.00 0.00 H new ATOM 0 HE2 TYR A 133 22.855 -17.205 23.983 1.00 0.00 H new ATOM 0 HH TYR A 133 22.629 -16.988 26.108 1.00 0.00 H new TER 1692 TYR A 133