USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 833 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 2 GLN : amide:sc= -0.172 X(o=-1.5,f=-1.5) USER MOD Set 1.2: A 98 HIS :FLIP no HD1:sc= -1.28 F(o=-3.2!,f=-1.5) USER MOD Set 2.1: A 70 ASN : amide:sc= 2.16 K(o=3.3,f=-7.4!) USER MOD Set 2.2: A 79 LYS NZ :NH3+ 145:sc= 1.14 (180deg=-0.014) USER MOD Set 3.1: A 57 ASN : amide:sc= 0.986 K(o=2.2,f=-4.2!) USER MOD Set 3.2: A 90 THR OG1 : rot -81:sc= 1.24 USER MOD Set 4.1: A 27 ASN : amide:sc= -0.0882 X(o=-0.16,f=-0.48) USER MOD Set 4.2: A 30 HIS : no HD1:sc= -0.0725 K(o=-0.16,f=-0.69) USER MOD Single : A 1 MET CE :methyl 161:sc= -0.119 (180deg=-0.651) USER MOD Single : A 1 MET N :NH3+ 177:sc= 1.34 (180deg=1.13) USER MOD Single : A 6 THR OG1 : rot 64:sc= 0.917 USER MOD Single : A 8 GLN : amide:sc= -1.6 X(o=-1.6,f=-1.6) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -125:sc= 1.25 (180deg=0.16) USER MOD Single : A 11 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.6!) USER MOD Single : A 13 THR OG1 : rot -150:sc= 0.00455 USER MOD Single : A 14 ASN : amide:sc= -0.0994 K(o=-0.099,f=-0.9) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot -35:sc= 0.171 USER MOD Single : A 26 THR OG1 : rot -94:sc= 0.923 USER MOD Single : A 32 LYS NZ :NH3+ -118:sc= -4.73! (180deg=-5.61!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 1.76 K(o=1.8,f=-0.005) USER MOD Single : A 36 THR OG1 : rot -1:sc= 1.18 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0385 USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= 1.22 (180deg=0.936) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 163:sc= -0.0191 (180deg=-0.281) USER MOD Single : A 60 THR OG1 : rot -178:sc= 0.599 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.027 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -148:sc= 1.26 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.285 USER MOD Single : A 73 SER OG : rot 180:sc= 0.02 USER MOD Single : A 77 LYS NZ :NH3+ -122:sc= 0.54 (180deg=-1.23!) USER MOD Single : A 78 TYR OH : rot 156:sc= -2.83! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -108:sc= 0.706 USER MOD Single : A 85 ASN : amide:sc= -0.0412 K(o=-0.041,f=-8.1!) USER MOD Single : A 86 LYS NZ :NH3+ -165:sc= 2.24 (180deg=1.72) USER MOD Single : A 93 ASN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 94 GLN : amide:sc= -1.54! C(o=-1.5!,f=-3.4!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.688 15.588 -0.980 1.00 2.73 N ATOM 2 CA MET A 1 -3.711 15.093 0.017 1.00 1.99 C ATOM 3 C MET A 1 -4.380 14.086 0.938 1.00 1.53 C ATOM 4 O MET A 1 -5.531 14.276 1.332 1.00 2.16 O ATOM 5 CB MET A 1 -3.128 16.255 0.834 1.00 2.50 C ATOM 6 CG MET A 1 -4.152 17.008 1.673 1.00 3.10 C ATOM 7 SD MET A 1 -3.410 18.332 2.647 1.00 4.10 S ATOM 8 CE MET A 1 -2.746 19.380 1.352 1.00 4.70 C ATOM 0 H1 MET A 1 -4.240 16.314 -1.575 1.00 2.73 H new ATOM 0 H2 MET A 1 -5.005 14.798 -1.577 1.00 2.73 H new ATOM 0 H3 MET A 1 -5.507 16.001 -0.489 1.00 2.73 H new ATOM 0 HA MET A 1 -2.892 14.606 -0.512 1.00 1.99 H new ATOM 0 HB2 MET A 1 -2.351 15.867 1.493 1.00 2.50 H new ATOM 0 HB3 MET A 1 -2.647 16.957 0.153 1.00 2.50 H new ATOM 0 HG2 MET A 1 -4.915 17.428 1.018 1.00 3.10 H new ATOM 0 HG3 MET A 1 -4.655 16.308 2.341 1.00 3.10 H new ATOM 0 HE1 MET A 1 -2.562 20.378 1.750 1.00 4.70 H new ATOM 0 HE2 MET A 1 -1.810 18.957 0.986 1.00 4.70 H new ATOM 0 HE3 MET A 1 -3.461 19.442 0.532 1.00 4.70 H new ATOM 20 N GLN A 2 -3.654 13.021 1.276 1.00 0.97 N ATOM 21 CA GLN A 2 -4.200 11.925 2.077 1.00 0.74 C ATOM 22 C GLN A 2 -5.534 11.457 1.512 1.00 0.65 C ATOM 23 O GLN A 2 -6.566 11.490 2.184 1.00 0.86 O ATOM 24 CB GLN A 2 -4.367 12.331 3.536 1.00 1.18 C ATOM 25 CG GLN A 2 -3.055 12.606 4.261 1.00 1.83 C ATOM 26 CD GLN A 2 -2.106 11.422 4.222 1.00 2.42 C ATOM 27 OE1 GLN A 2 -2.162 10.534 5.074 1.00 2.91 O ATOM 28 NE2 GLN A 2 -1.205 11.415 3.252 1.00 3.09 N ATOM 0 H GLN A 2 -2.679 12.893 1.005 1.00 0.97 H new ATOM 0 HA GLN A 2 -3.487 11.101 2.032 1.00 0.74 H new ATOM 0 HB2 GLN A 2 -4.990 13.224 3.584 1.00 1.18 H new ATOM 0 HB3 GLN A 2 -4.902 11.541 4.063 1.00 1.18 H new ATOM 0 HG2 GLN A 2 -2.569 13.471 3.809 1.00 1.83 H new ATOM 0 HG3 GLN A 2 -3.265 12.864 5.299 1.00 1.83 H new ATOM 0 HE21 GLN A 2 -1.190 12.168 2.564 1.00 3.09 H new ATOM 0 HE22 GLN A 2 -0.526 10.656 3.192 1.00 3.09 H new ATOM 37 N ASP A 3 -5.488 11.030 0.272 1.00 0.48 N ATOM 38 CA ASP A 3 -6.676 10.635 -0.470 1.00 0.44 C ATOM 39 C ASP A 3 -6.383 9.393 -1.300 1.00 0.32 C ATOM 40 O ASP A 3 -5.328 8.779 -1.143 1.00 0.32 O ATOM 41 CB ASP A 3 -7.143 11.784 -1.378 1.00 0.55 C ATOM 42 CG ASP A 3 -6.016 12.395 -2.196 1.00 1.30 C ATOM 43 OD1 ASP A 3 -5.214 11.631 -2.775 1.00 1.97 O ATOM 44 OD2 ASP A 3 -5.925 13.636 -2.271 1.00 1.67 O ATOM 0 H ASP A 3 -4.622 10.944 -0.260 1.00 0.48 H new ATOM 0 HA ASP A 3 -7.473 10.406 0.238 1.00 0.44 H new ATOM 0 HB2 ASP A 3 -7.915 11.415 -2.053 1.00 0.55 H new ATOM 0 HB3 ASP A 3 -7.601 12.560 -0.765 1.00 0.55 H new ATOM 49 N TRP A 4 -7.308 9.030 -2.183 1.00 0.32 N ATOM 50 CA TRP A 4 -7.148 7.850 -3.028 1.00 0.27 C ATOM 51 C TRP A 4 -5.979 8.029 -3.990 1.00 0.24 C ATOM 52 O TRP A 4 -5.238 7.086 -4.266 1.00 0.25 O ATOM 53 CB TRP A 4 -8.441 7.578 -3.802 1.00 0.29 C ATOM 54 CG TRP A 4 -8.322 6.510 -4.850 1.00 0.28 C ATOM 55 CD1 TRP A 4 -8.478 6.674 -6.196 1.00 0.33 C ATOM 56 CD2 TRP A 4 -8.017 5.125 -4.648 1.00 0.23 C ATOM 57 NE1 TRP A 4 -8.302 5.477 -6.841 1.00 0.32 N ATOM 58 CE2 TRP A 4 -8.014 4.511 -5.915 1.00 0.25 C ATOM 59 CE3 TRP A 4 -7.744 4.342 -3.524 1.00 0.20 C ATOM 60 CZ2 TRP A 4 -7.755 3.154 -6.084 1.00 0.24 C ATOM 61 CZ3 TRP A 4 -7.485 2.994 -3.694 1.00 0.20 C ATOM 62 CH2 TRP A 4 -7.492 2.413 -4.967 1.00 0.22 C ATOM 0 H TRP A 4 -8.180 9.538 -2.333 1.00 0.32 H new ATOM 0 HA TRP A 4 -6.934 6.993 -2.389 1.00 0.27 H new ATOM 0 HB2 TRP A 4 -9.220 7.292 -3.095 1.00 0.29 H new ATOM 0 HB3 TRP A 4 -8.767 8.503 -4.278 1.00 0.29 H new ATOM 0 HD1 TRP A 4 -8.707 7.611 -6.682 1.00 0.33 H new ATOM 0 HE1 TRP A 4 -8.374 5.330 -7.848 1.00 0.32 H new ATOM 0 HE3 TRP A 4 -7.735 4.782 -2.538 1.00 0.20 H new ATOM 0 HZ2 TRP A 4 -7.762 2.702 -7.065 1.00 0.24 H new ATOM 0 HZ3 TRP A 4 -7.274 2.380 -2.831 1.00 0.20 H new ATOM 0 HH2 TRP A 4 -7.285 1.358 -5.068 1.00 0.22 H new ATOM 73 N LEU A 5 -5.806 9.246 -4.487 1.00 0.28 N ATOM 74 CA LEU A 5 -4.711 9.547 -5.393 1.00 0.32 C ATOM 75 C LEU A 5 -3.385 9.365 -4.666 1.00 0.32 C ATOM 76 O LEU A 5 -2.435 8.801 -5.209 1.00 0.35 O ATOM 77 CB LEU A 5 -4.826 10.977 -5.942 1.00 0.42 C ATOM 78 CG LEU A 5 -6.063 11.267 -6.804 1.00 0.54 C ATOM 79 CD1 LEU A 5 -6.259 10.184 -7.855 1.00 0.75 C ATOM 80 CD2 LEU A 5 -7.313 11.426 -5.950 1.00 0.84 C ATOM 0 H LEU A 5 -6.411 10.040 -4.277 1.00 0.28 H new ATOM 0 HA LEU A 5 -4.759 8.860 -6.238 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -4.823 11.670 -5.101 1.00 0.42 H new ATOM 0 HB3 LEU A 5 -3.936 11.191 -6.534 1.00 0.42 H new ATOM 0 HG LEU A 5 -5.891 12.213 -7.317 1.00 0.54 H new ATOM 0 HD11 LEU A 5 -7.142 10.412 -8.453 1.00 0.75 H new ATOM 0 HD12 LEU A 5 -5.383 10.143 -8.502 1.00 0.75 H new ATOM 0 HD13 LEU A 5 -6.393 9.220 -7.364 1.00 0.75 H new ATOM 0 HD21 LEU A 5 -8.169 11.630 -6.593 1.00 0.84 H new ATOM 0 HD22 LEU A 5 -7.490 10.508 -5.390 1.00 0.84 H new ATOM 0 HD23 LEU A 5 -7.176 12.254 -5.255 1.00 0.84 H new ATOM 92 N THR A 6 -3.347 9.830 -3.425 1.00 0.34 N ATOM 93 CA THR A 6 -2.179 9.675 -2.573 1.00 0.40 C ATOM 94 C THR A 6 -1.957 8.199 -2.235 1.00 0.35 C ATOM 95 O THR A 6 -0.830 7.697 -2.286 1.00 0.37 O ATOM 96 CB THR A 6 -2.345 10.478 -1.265 1.00 0.52 C ATOM 97 OG1 THR A 6 -2.788 11.812 -1.553 1.00 0.59 O ATOM 98 CG2 THR A 6 -1.039 10.537 -0.490 1.00 0.61 C ATOM 0 H THR A 6 -4.123 10.323 -2.983 1.00 0.34 H new ATOM 0 HA THR A 6 -1.315 10.056 -3.117 1.00 0.40 H new ATOM 0 HB THR A 6 -3.091 9.969 -0.655 1.00 0.52 H new ATOM 0 HG1 THR A 6 -3.675 11.780 -1.967 1.00 0.59 H new ATOM 0 HG21 THR A 6 -1.185 11.109 0.427 1.00 0.61 H new ATOM 0 HG22 THR A 6 -0.718 9.526 -0.240 1.00 0.61 H new ATOM 0 HG23 THR A 6 -0.275 11.019 -1.100 1.00 0.61 H new ATOM 106 N PHE A 7 -3.049 7.512 -1.911 1.00 0.29 N ATOM 107 CA PHE A 7 -3.008 6.101 -1.549 1.00 0.26 C ATOM 108 C PHE A 7 -2.439 5.271 -2.692 1.00 0.23 C ATOM 109 O PHE A 7 -1.598 4.399 -2.475 1.00 0.24 O ATOM 110 CB PHE A 7 -4.420 5.615 -1.202 1.00 0.24 C ATOM 111 CG PHE A 7 -4.468 4.236 -0.605 1.00 0.24 C ATOM 112 CD1 PHE A 7 -4.466 3.120 -1.422 1.00 0.22 C ATOM 113 CD2 PHE A 7 -4.507 4.056 0.771 1.00 0.28 C ATOM 114 CE1 PHE A 7 -4.508 1.848 -0.883 1.00 0.23 C ATOM 115 CE2 PHE A 7 -4.550 2.787 1.317 1.00 0.29 C ATOM 116 CZ PHE A 7 -4.563 1.691 0.510 1.00 0.27 C ATOM 0 H PHE A 7 -3.985 7.918 -1.892 1.00 0.29 H new ATOM 0 HA PHE A 7 -2.361 5.982 -0.680 1.00 0.26 H new ATOM 0 HB2 PHE A 7 -4.872 6.318 -0.502 1.00 0.24 H new ATOM 0 HB3 PHE A 7 -5.029 5.629 -2.106 1.00 0.24 H new ATOM 0 HD1 PHE A 7 -4.431 3.244 -2.494 1.00 0.22 H new ATOM 0 HD2 PHE A 7 -4.504 4.917 1.422 1.00 0.28 H new ATOM 0 HE1 PHE A 7 -4.499 0.982 -1.529 1.00 0.23 H new ATOM 0 HE2 PHE A 7 -4.573 2.664 2.390 1.00 0.29 H new ATOM 0 HZ PHE A 7 -4.616 0.702 0.941 1.00 0.27 H new ATOM 126 N GLN A 8 -2.902 5.555 -3.902 1.00 0.23 N ATOM 127 CA GLN A 8 -2.452 4.855 -5.094 1.00 0.24 C ATOM 128 C GLN A 8 -0.941 4.915 -5.254 1.00 0.24 C ATOM 129 O GLN A 8 -0.275 3.882 -5.276 1.00 0.25 O ATOM 130 CB GLN A 8 -3.103 5.459 -6.325 1.00 0.27 C ATOM 131 CG GLN A 8 -4.411 4.796 -6.719 1.00 0.27 C ATOM 132 CD GLN A 8 -5.085 5.477 -7.893 1.00 0.32 C ATOM 133 OE1 GLN A 8 -5.743 4.832 -8.708 1.00 0.61 O ATOM 134 NE2 GLN A 8 -4.952 6.790 -7.974 1.00 0.45 N ATOM 0 H GLN A 8 -3.600 6.277 -4.083 1.00 0.23 H new ATOM 0 HA GLN A 8 -2.742 3.810 -4.985 1.00 0.24 H new ATOM 0 HB2 GLN A 8 -3.284 6.519 -6.145 1.00 0.27 H new ATOM 0 HB3 GLN A 8 -2.407 5.392 -7.161 1.00 0.27 H new ATOM 0 HG2 GLN A 8 -4.223 3.752 -6.970 1.00 0.27 H new ATOM 0 HG3 GLN A 8 -5.088 4.802 -5.864 1.00 0.27 H new ATOM 0 HE21 GLN A 8 -4.398 7.290 -7.279 1.00 0.45 H new ATOM 0 HE22 GLN A 8 -5.403 7.303 -8.732 1.00 0.45 H new ATOM 143 N LYS A 9 -0.409 6.127 -5.348 1.00 0.26 N ATOM 144 CA LYS A 9 1.016 6.335 -5.592 1.00 0.29 C ATOM 145 C LYS A 9 1.865 5.639 -4.532 1.00 0.29 C ATOM 146 O LYS A 9 2.988 5.215 -4.793 1.00 0.33 O ATOM 147 CB LYS A 9 1.322 7.831 -5.580 1.00 0.32 C ATOM 148 CG LYS A 9 0.480 8.634 -6.555 1.00 0.33 C ATOM 149 CD LYS A 9 0.569 10.119 -6.256 1.00 0.67 C ATOM 150 CE LYS A 9 -0.313 10.937 -7.186 1.00 1.20 C ATOM 151 NZ LYS A 9 -0.290 12.383 -6.838 1.00 1.88 N ATOM 0 H LYS A 9 -0.947 6.989 -5.258 1.00 0.26 H new ATOM 0 HA LYS A 9 1.261 5.909 -6.565 1.00 0.29 H new ATOM 0 HB2 LYS A 9 1.163 8.217 -4.573 1.00 0.32 H new ATOM 0 HB3 LYS A 9 2.376 7.979 -5.816 1.00 0.32 H new ATOM 0 HG2 LYS A 9 0.817 8.444 -7.574 1.00 0.33 H new ATOM 0 HG3 LYS A 9 -0.559 8.309 -6.497 1.00 0.33 H new ATOM 0 HD2 LYS A 9 0.273 10.300 -5.223 1.00 0.67 H new ATOM 0 HD3 LYS A 9 1.604 10.448 -6.354 1.00 0.67 H new ATOM 0 HE2 LYS A 9 0.023 10.805 -8.215 1.00 1.20 H new ATOM 0 HE3 LYS A 9 -1.337 10.567 -7.135 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 -0.903 12.908 -7.494 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 -0.634 12.511 -5.865 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 0.683 12.742 -6.911 1.00 1.88 H new ATOM 165 N LYS A 10 1.307 5.530 -3.337 1.00 0.28 N ATOM 166 CA LYS A 10 2.032 4.988 -2.193 1.00 0.30 C ATOM 167 C LYS A 10 1.867 3.478 -2.038 1.00 0.26 C ATOM 168 O LYS A 10 2.720 2.822 -1.439 1.00 0.29 O ATOM 169 CB LYS A 10 1.575 5.669 -0.902 1.00 0.38 C ATOM 170 CG LYS A 10 2.111 7.075 -0.704 1.00 0.63 C ATOM 171 CD LYS A 10 1.525 7.700 0.551 1.00 0.73 C ATOM 172 CE LYS A 10 2.128 9.063 0.855 1.00 1.10 C ATOM 173 NZ LYS A 10 3.561 8.970 1.233 1.00 1.34 N ATOM 0 H LYS A 10 0.348 5.811 -3.131 1.00 0.28 H new ATOM 0 HA LYS A 10 3.087 5.189 -2.381 1.00 0.30 H new ATOM 0 HB2 LYS A 10 0.486 5.705 -0.892 1.00 0.38 H new ATOM 0 HB3 LYS A 10 1.881 5.055 -0.055 1.00 0.38 H new ATOM 0 HG2 LYS A 10 3.198 7.048 -0.630 1.00 0.63 H new ATOM 0 HG3 LYS A 10 1.866 7.689 -1.571 1.00 0.63 H new ATOM 0 HD2 LYS A 10 0.446 7.801 0.434 1.00 0.73 H new ATOM 0 HD3 LYS A 10 1.693 7.034 1.398 1.00 0.73 H new ATOM 0 HE2 LYS A 10 2.025 9.707 -0.018 1.00 1.10 H new ATOM 0 HE3 LYS A 10 1.570 9.533 1.665 1.00 1.10 H new ATOM 0 HZ1 LYS A 10 3.707 9.427 2.156 1.00 1.34 H new ATOM 0 HZ2 LYS A 10 3.840 7.970 1.294 1.00 1.34 H new ATOM 0 HZ3 LYS A 10 4.141 9.448 0.514 1.00 1.34 H new ATOM 187 N HIS A 11 0.772 2.913 -2.539 1.00 0.25 N ATOM 188 CA HIS A 11 0.459 1.522 -2.207 1.00 0.24 C ATOM 189 C HIS A 11 0.090 0.668 -3.415 1.00 0.23 C ATOM 190 O HIS A 11 -0.125 -0.527 -3.267 1.00 0.26 O ATOM 191 CB HIS A 11 -0.677 1.455 -1.178 1.00 0.26 C ATOM 192 CG HIS A 11 -0.352 2.105 0.132 1.00 0.28 C ATOM 193 ND1 HIS A 11 0.532 1.567 1.043 1.00 0.29 N ATOM 194 CD2 HIS A 11 -0.799 3.261 0.682 1.00 0.35 C ATOM 195 CE1 HIS A 11 0.615 2.363 2.095 1.00 0.34 C ATOM 196 NE2 HIS A 11 -0.182 3.396 1.901 1.00 0.37 N ATOM 0 H HIS A 11 0.105 3.376 -3.156 1.00 0.25 H new ATOM 0 HA HIS A 11 1.377 1.108 -1.791 1.00 0.24 H new ATOM 0 HB2 HIS A 11 -1.563 1.931 -1.598 1.00 0.26 H new ATOM 0 HB3 HIS A 11 -0.931 0.410 -1.000 1.00 0.26 H new ATOM 0 HD1 HIS A 11 1.042 0.692 0.924 1.00 0.29 H new ATOM 0 HD2 HIS A 11 -1.508 3.947 0.243 1.00 0.35 H new ATOM 0 HE1 HIS A 11 1.231 2.196 2.966 1.00 0.34 H new ATOM 205 N ILE A 12 0.011 1.247 -4.596 1.00 0.23 N ATOM 206 CA ILE A 12 -0.362 0.467 -5.772 1.00 0.24 C ATOM 207 C ILE A 12 0.848 0.206 -6.663 1.00 0.23 C ATOM 208 O ILE A 12 1.415 1.133 -7.242 1.00 0.30 O ATOM 209 CB ILE A 12 -1.475 1.159 -6.595 1.00 0.28 C ATOM 210 CG1 ILE A 12 -2.724 1.386 -5.737 1.00 0.36 C ATOM 211 CG2 ILE A 12 -1.831 0.339 -7.828 1.00 0.28 C ATOM 212 CD1 ILE A 12 -3.323 0.113 -5.171 1.00 0.48 C ATOM 0 H ILE A 12 0.195 2.235 -4.772 1.00 0.23 H new ATOM 0 HA ILE A 12 -0.749 -0.485 -5.408 1.00 0.24 H new ATOM 0 HB ILE A 12 -1.094 2.127 -6.921 1.00 0.28 H new ATOM 0 HG12 ILE A 12 -2.470 2.053 -4.913 1.00 0.36 H new ATOM 0 HG13 ILE A 12 -3.478 1.894 -6.338 1.00 0.36 H new ATOM 0 HG21 ILE A 12 -2.615 0.847 -8.389 1.00 0.28 H new ATOM 0 HG22 ILE A 12 -0.949 0.227 -8.458 1.00 0.28 H new ATOM 0 HG23 ILE A 12 -2.184 -0.645 -7.521 1.00 0.28 H new ATOM 0 HD11 ILE A 12 -4.203 0.358 -4.576 1.00 0.48 H new ATOM 0 HD12 ILE A 12 -3.610 -0.549 -5.988 1.00 0.48 H new ATOM 0 HD13 ILE A 12 -2.587 -0.387 -4.541 1.00 0.48 H new ATOM 224 N THR A 13 1.243 -1.056 -6.763 1.00 0.20 N ATOM 225 CA THR A 13 2.341 -1.440 -7.633 1.00 0.21 C ATOM 226 C THR A 13 1.893 -2.544 -8.588 1.00 0.22 C ATOM 227 O THR A 13 0.967 -3.302 -8.290 1.00 0.24 O ATOM 228 CB THR A 13 3.589 -1.898 -6.838 1.00 0.21 C ATOM 229 OG1 THR A 13 4.681 -2.140 -7.735 1.00 0.30 O ATOM 230 CG2 THR A 13 3.320 -3.162 -6.037 1.00 0.21 C ATOM 0 H THR A 13 0.818 -1.830 -6.252 1.00 0.20 H new ATOM 0 HA THR A 13 2.626 -0.556 -8.203 1.00 0.21 H new ATOM 0 HB THR A 13 3.840 -1.097 -6.142 1.00 0.21 H new ATOM 0 HG1 THR A 13 5.261 -2.837 -7.363 1.00 0.30 H new ATOM 0 HG21 THR A 13 4.221 -3.448 -5.495 1.00 0.21 H new ATOM 0 HG22 THR A 13 2.513 -2.978 -5.328 1.00 0.21 H new ATOM 0 HG23 THR A 13 3.033 -3.967 -6.713 1.00 0.21 H new ATOM 238 N ASN A 14 2.545 -2.624 -9.737 1.00 0.28 N ATOM 239 CA ASN A 14 2.173 -3.593 -10.758 1.00 0.33 C ATOM 240 C ASN A 14 3.241 -4.677 -10.870 1.00 0.32 C ATOM 241 O ASN A 14 3.191 -5.536 -11.750 1.00 0.36 O ATOM 242 CB ASN A 14 1.993 -2.882 -12.098 1.00 0.46 C ATOM 243 CG ASN A 14 1.287 -3.732 -13.134 1.00 1.36 C ATOM 244 OD1 ASN A 14 0.405 -4.528 -12.812 1.00 2.20 O ATOM 245 ND2 ASN A 14 1.688 -3.581 -14.382 1.00 2.08 N ATOM 0 H ASN A 14 3.335 -2.029 -9.987 1.00 0.28 H new ATOM 0 HA ASN A 14 1.232 -4.066 -10.478 1.00 0.33 H new ATOM 0 HB2 ASN A 14 1.425 -1.965 -11.942 1.00 0.46 H new ATOM 0 HB3 ASN A 14 2.971 -2.590 -12.482 1.00 0.46 H new ATOM 0 HD21 ASN A 14 1.263 -4.136 -15.125 1.00 2.08 H new ATOM 0 HD22 ASN A 14 2.423 -2.909 -14.604 1.00 2.08 H new ATOM 252 N THR A 15 4.203 -4.631 -9.963 1.00 0.33 N ATOM 253 CA THR A 15 5.273 -5.614 -9.928 1.00 0.36 C ATOM 254 C THR A 15 5.438 -6.159 -8.505 1.00 0.33 C ATOM 255 O THR A 15 5.129 -5.467 -7.531 1.00 0.36 O ATOM 256 CB THR A 15 6.605 -5.006 -10.435 1.00 0.42 C ATOM 257 OG1 THR A 15 7.611 -6.017 -10.545 1.00 0.48 O ATOM 258 CG2 THR A 15 7.097 -3.898 -9.515 1.00 0.43 C ATOM 0 H THR A 15 4.264 -3.918 -9.236 1.00 0.33 H new ATOM 0 HA THR A 15 5.007 -6.436 -10.593 1.00 0.36 H new ATOM 0 HB THR A 15 6.413 -4.579 -11.419 1.00 0.42 H new ATOM 0 HG1 THR A 15 8.444 -5.615 -10.868 1.00 0.48 H new ATOM 0 HG21 THR A 15 8.033 -3.494 -9.900 1.00 0.43 H new ATOM 0 HG22 THR A 15 6.351 -3.105 -9.469 1.00 0.43 H new ATOM 0 HG23 THR A 15 7.260 -4.301 -8.515 1.00 0.43 H new ATOM 266 N ARG A 16 5.902 -7.401 -8.382 1.00 0.32 N ATOM 267 CA ARG A 16 6.039 -8.035 -7.074 1.00 0.31 C ATOM 268 C ARG A 16 7.245 -7.491 -6.330 1.00 0.33 C ATOM 269 O ARG A 16 7.234 -7.371 -5.108 1.00 0.45 O ATOM 270 CB ARG A 16 6.147 -9.554 -7.213 1.00 0.36 C ATOM 271 CG ARG A 16 4.809 -10.230 -7.441 1.00 0.45 C ATOM 272 CD ARG A 16 3.915 -10.100 -6.218 1.00 0.38 C ATOM 273 NE ARG A 16 4.330 -10.979 -5.122 1.00 0.32 N ATOM 274 CZ ARG A 16 4.323 -10.627 -3.833 1.00 0.40 C ATOM 275 NH1 ARG A 16 4.080 -9.365 -3.482 1.00 0.49 N ATOM 276 NH2 ARG A 16 4.579 -11.532 -2.896 1.00 0.51 N ATOM 0 H ARG A 16 6.188 -7.985 -9.168 1.00 0.32 H new ATOM 0 HA ARG A 16 5.144 -7.802 -6.498 1.00 0.31 H new ATOM 0 HB2 ARG A 16 6.812 -9.790 -8.044 1.00 0.36 H new ATOM 0 HB3 ARG A 16 6.605 -9.963 -6.312 1.00 0.36 H new ATOM 0 HG2 ARG A 16 4.316 -9.785 -8.305 1.00 0.45 H new ATOM 0 HG3 ARG A 16 4.965 -11.284 -7.671 1.00 0.45 H new ATOM 0 HD2 ARG A 16 3.925 -9.066 -5.873 1.00 0.38 H new ATOM 0 HD3 ARG A 16 2.887 -10.333 -6.497 1.00 0.38 H new ATOM 0 HE ARG A 16 4.644 -11.920 -5.358 1.00 0.32 H new ATOM 0 HH11 ARG A 16 3.898 -8.662 -4.199 1.00 0.49 H new ATOM 0 HH12 ARG A 16 4.076 -9.101 -2.497 1.00 0.49 H new ATOM 0 HH21 ARG A 16 4.781 -12.496 -3.160 1.00 0.51 H new ATOM 0 HH22 ARG A 16 4.574 -11.263 -1.912 1.00 0.51 H new ATOM 290 N ASP A 17 8.290 -7.175 -7.062 1.00 0.37 N ATOM 291 CA ASP A 17 9.456 -6.574 -6.478 1.00 0.42 C ATOM 292 C ASP A 17 9.553 -5.114 -6.889 1.00 0.36 C ATOM 293 O ASP A 17 10.110 -4.775 -7.930 1.00 0.46 O ATOM 294 CB ASP A 17 10.714 -7.356 -6.866 1.00 0.60 C ATOM 295 CG ASP A 17 10.895 -7.545 -8.364 1.00 1.16 C ATOM 296 OD1 ASP A 17 10.020 -8.177 -8.997 1.00 1.94 O ATOM 297 OD2 ASP A 17 11.901 -7.048 -8.921 1.00 1.40 O ATOM 0 H ASP A 17 8.351 -7.328 -8.069 1.00 0.37 H new ATOM 0 HA ASP A 17 9.370 -6.611 -5.392 1.00 0.42 H new ATOM 0 HB2 ASP A 17 11.587 -6.838 -6.469 1.00 0.60 H new ATOM 0 HB3 ASP A 17 10.680 -8.336 -6.389 1.00 0.60 H new ATOM 302 N VAL A 18 8.954 -4.255 -6.083 1.00 0.31 N ATOM 303 CA VAL A 18 8.997 -2.824 -6.335 1.00 0.29 C ATOM 304 C VAL A 18 10.387 -2.279 -6.002 1.00 0.29 C ATOM 305 O VAL A 18 11.007 -2.705 -5.024 1.00 0.35 O ATOM 306 CB VAL A 18 7.894 -2.073 -5.537 1.00 0.36 C ATOM 307 CG1 VAL A 18 7.786 -2.585 -4.109 1.00 0.53 C ATOM 308 CG2 VAL A 18 8.136 -0.573 -5.543 1.00 0.58 C ATOM 0 H VAL A 18 8.432 -4.523 -5.249 1.00 0.31 H new ATOM 0 HA VAL A 18 8.798 -2.654 -7.393 1.00 0.29 H new ATOM 0 HB VAL A 18 6.947 -2.272 -6.038 1.00 0.36 H new ATOM 0 HG11 VAL A 18 7.005 -2.036 -3.584 1.00 0.53 H new ATOM 0 HG12 VAL A 18 7.538 -3.646 -4.121 1.00 0.53 H new ATOM 0 HG13 VAL A 18 8.738 -2.440 -3.598 1.00 0.53 H new ATOM 0 HG21 VAL A 18 7.349 -0.075 -4.977 1.00 0.58 H new ATOM 0 HG22 VAL A 18 9.102 -0.358 -5.086 1.00 0.58 H new ATOM 0 HG23 VAL A 18 8.131 -0.208 -6.570 1.00 0.58 H new ATOM 318 N ASP A 19 10.901 -1.373 -6.833 1.00 0.34 N ATOM 319 CA ASP A 19 12.228 -0.809 -6.601 1.00 0.41 C ATOM 320 C ASP A 19 12.159 0.289 -5.549 1.00 0.39 C ATOM 321 O ASP A 19 12.358 1.472 -5.836 1.00 0.46 O ATOM 322 CB ASP A 19 12.855 -0.275 -7.893 1.00 0.58 C ATOM 323 CG ASP A 19 14.365 -0.178 -7.796 1.00 1.11 C ATOM 324 OD1 ASP A 19 15.028 -1.232 -7.750 1.00 1.28 O ATOM 325 OD2 ASP A 19 14.896 0.948 -7.779 1.00 1.91 O ATOM 0 H ASP A 19 10.425 -1.018 -7.662 1.00 0.34 H new ATOM 0 HA ASP A 19 12.868 -1.612 -6.236 1.00 0.41 H new ATOM 0 HB2 ASP A 19 12.587 -0.929 -8.723 1.00 0.58 H new ATOM 0 HB3 ASP A 19 12.442 0.709 -8.116 1.00 0.58 H new ATOM 330 N CYS A 20 11.839 -0.127 -4.333 1.00 0.38 N ATOM 331 CA CYS A 20 11.700 0.760 -3.192 1.00 0.40 C ATOM 332 C CYS A 20 12.909 1.656 -3.027 1.00 0.38 C ATOM 333 O CYS A 20 12.779 2.859 -2.820 1.00 0.39 O ATOM 334 CB CYS A 20 11.556 -0.087 -1.948 1.00 0.51 C ATOM 335 SG CYS A 20 10.486 -1.535 -2.174 1.00 0.93 S ATOM 0 H CYS A 20 11.666 -1.107 -4.110 1.00 0.38 H new ATOM 0 HA CYS A 20 10.827 1.393 -3.351 1.00 0.40 H new ATOM 0 HB2 CYS A 20 12.544 -0.422 -1.630 1.00 0.51 H new ATOM 0 HB3 CYS A 20 11.154 0.529 -1.144 1.00 0.51 H new ATOM 340 N ASP A 21 14.079 1.039 -3.110 1.00 0.47 N ATOM 341 CA ASP A 21 15.357 1.727 -2.923 1.00 0.59 C ATOM 342 C ASP A 21 15.397 3.045 -3.696 1.00 0.53 C ATOM 343 O ASP A 21 15.969 4.030 -3.235 1.00 0.64 O ATOM 344 CB ASP A 21 16.506 0.819 -3.371 1.00 0.85 C ATOM 345 CG ASP A 21 17.817 1.159 -2.690 1.00 1.36 C ATOM 346 OD1 ASP A 21 18.016 0.771 -1.519 1.00 2.26 O ATOM 347 OD2 ASP A 21 18.650 1.847 -3.321 1.00 1.66 O ATOM 0 H ASP A 21 14.173 0.043 -3.310 1.00 0.47 H new ATOM 0 HA ASP A 21 15.468 1.957 -1.863 1.00 0.59 H new ATOM 0 HB2 ASP A 21 16.249 -0.219 -3.158 1.00 0.85 H new ATOM 0 HB3 ASP A 21 16.630 0.902 -4.451 1.00 0.85 H new ATOM 352 N ASN A 22 14.759 3.060 -4.857 1.00 0.50 N ATOM 353 CA ASN A 22 14.693 4.255 -5.684 1.00 0.49 C ATOM 354 C ASN A 22 13.373 4.983 -5.479 1.00 0.42 C ATOM 355 O ASN A 22 13.346 6.190 -5.239 1.00 0.43 O ATOM 356 CB ASN A 22 14.834 3.866 -7.152 1.00 0.59 C ATOM 357 CG ASN A 22 15.088 5.047 -8.058 1.00 0.69 C ATOM 358 OD1 ASN A 22 14.161 5.694 -8.546 1.00 1.07 O ATOM 359 ND2 ASN A 22 16.352 5.314 -8.303 1.00 1.14 N ATOM 0 H ASN A 22 14.276 2.252 -5.249 1.00 0.50 H new ATOM 0 HA ASN A 22 15.506 4.921 -5.395 1.00 0.49 H new ATOM 0 HB2 ASN A 22 15.653 3.154 -7.256 1.00 0.59 H new ATOM 0 HB3 ASN A 22 13.926 3.357 -7.475 1.00 0.59 H new ATOM 0 HD21 ASN A 22 16.599 6.086 -8.921 1.00 1.14 H new ATOM 0 HD22 ASN A 22 17.085 4.749 -7.875 1.00 1.14 H new ATOM 366 N ILE A 23 12.287 4.230 -5.561 1.00 0.40 N ATOM 367 CA ILE A 23 10.942 4.792 -5.506 1.00 0.38 C ATOM 368 C ILE A 23 10.666 5.517 -4.186 1.00 0.33 C ATOM 369 O ILE A 23 9.969 6.531 -4.172 1.00 0.34 O ATOM 370 CB ILE A 23 9.878 3.690 -5.757 1.00 0.39 C ATOM 371 CG1 ILE A 23 9.989 3.199 -7.205 1.00 0.45 C ATOM 372 CG2 ILE A 23 8.465 4.192 -5.468 1.00 0.40 C ATOM 373 CD1 ILE A 23 9.007 2.106 -7.566 1.00 0.48 C ATOM 0 H ILE A 23 12.310 3.216 -5.667 1.00 0.40 H new ATOM 0 HA ILE A 23 10.875 5.536 -6.299 1.00 0.38 H new ATOM 0 HB ILE A 23 10.071 2.863 -5.074 1.00 0.39 H new ATOM 0 HG12 ILE A 23 9.837 4.044 -7.876 1.00 0.45 H new ATOM 0 HG13 ILE A 23 11.001 2.833 -7.376 1.00 0.45 H new ATOM 0 HG21 ILE A 23 7.749 3.392 -5.656 1.00 0.40 H new ATOM 0 HG22 ILE A 23 8.396 4.504 -4.426 1.00 0.40 H new ATOM 0 HG23 ILE A 23 8.240 5.039 -6.116 1.00 0.40 H new ATOM 0 HD11 ILE A 23 9.152 1.816 -8.607 1.00 0.48 H new ATOM 0 HD12 ILE A 23 9.171 1.242 -6.922 1.00 0.48 H new ATOM 0 HD13 ILE A 23 7.989 2.472 -7.430 1.00 0.48 H new ATOM 385 N LEU A 24 11.237 5.038 -3.083 1.00 0.30 N ATOM 386 CA LEU A 24 10.952 5.642 -1.784 1.00 0.29 C ATOM 387 C LEU A 24 11.839 6.857 -1.545 1.00 0.32 C ATOM 388 O LEU A 24 11.624 7.610 -0.594 1.00 0.33 O ATOM 389 CB LEU A 24 11.146 4.659 -0.622 1.00 0.31 C ATOM 390 CG LEU A 24 10.721 3.210 -0.862 1.00 0.38 C ATOM 391 CD1 LEU A 24 10.777 2.417 0.427 1.00 1.03 C ATOM 392 CD2 LEU A 24 9.339 3.109 -1.458 1.00 1.01 C ATOM 0 H LEU A 24 11.886 4.251 -3.061 1.00 0.30 H new ATOM 0 HA LEU A 24 9.904 5.939 -1.813 1.00 0.29 H new ATOM 0 HB2 LEU A 24 12.201 4.662 -0.348 1.00 0.31 H new ATOM 0 HB3 LEU A 24 10.592 5.037 0.238 1.00 0.31 H new ATOM 0 HG LEU A 24 11.426 2.791 -1.581 1.00 0.38 H new ATOM 0 HD11 LEU A 24 10.471 1.389 0.235 1.00 1.03 H new ATOM 0 HD12 LEU A 24 11.795 2.426 0.816 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.105 2.865 1.159 1.00 1.03 H new ATOM 0 HD21 LEU A 24 9.084 2.060 -1.609 1.00 1.01 H new ATOM 0 HD22 LEU A 24 8.616 3.564 -0.781 1.00 1.01 H new ATOM 0 HD23 LEU A 24 9.317 3.630 -2.415 1.00 1.01 H new ATOM 404 N SER A 25 12.838 7.042 -2.403 1.00 0.36 N ATOM 405 CA SER A 25 13.782 8.144 -2.250 1.00 0.41 C ATOM 406 C SER A 25 13.177 9.448 -2.780 1.00 0.42 C ATOM 407 O SER A 25 13.755 10.529 -2.637 1.00 0.49 O ATOM 408 CB SER A 25 15.093 7.816 -2.980 1.00 0.50 C ATOM 409 OG SER A 25 16.101 8.773 -2.707 1.00 1.28 O ATOM 0 H SER A 25 13.015 6.444 -3.210 1.00 0.36 H new ATOM 0 HA SER A 25 13.998 8.279 -1.190 1.00 0.41 H new ATOM 0 HB2 SER A 25 15.439 6.827 -2.679 1.00 0.50 H new ATOM 0 HB3 SER A 25 14.911 7.776 -4.054 1.00 0.50 H new ATOM 0 HG SER A 25 15.693 9.659 -2.610 1.00 1.28 H new ATOM 415 N THR A 26 11.998 9.334 -3.375 1.00 0.41 N ATOM 416 CA THR A 26 11.312 10.478 -3.957 1.00 0.46 C ATOM 417 C THR A 26 10.604 11.307 -2.887 1.00 0.45 C ATOM 418 O THR A 26 10.479 10.882 -1.734 1.00 0.45 O ATOM 419 CB THR A 26 10.270 10.009 -4.988 1.00 0.49 C ATOM 420 OG1 THR A 26 9.336 9.122 -4.357 1.00 0.44 O ATOM 421 CG2 THR A 26 10.940 9.302 -6.156 1.00 0.56 C ATOM 0 H THR A 26 11.493 8.452 -3.467 1.00 0.41 H new ATOM 0 HA THR A 26 12.067 11.096 -4.443 1.00 0.46 H new ATOM 0 HB THR A 26 9.746 10.884 -5.372 1.00 0.49 H new ATOM 0 HG1 THR A 26 9.626 8.195 -4.487 1.00 0.44 H new ATOM 0 HG21 THR A 26 10.182 8.981 -6.870 1.00 0.56 H new ATOM 0 HG22 THR A 26 11.633 9.986 -6.646 1.00 0.56 H new ATOM 0 HG23 THR A 26 11.486 8.432 -5.790 1.00 0.56 H new ATOM 429 N ASN A 27 10.097 12.471 -3.284 1.00 0.49 N ATOM 430 CA ASN A 27 9.352 13.350 -2.377 1.00 0.52 C ATOM 431 C ASN A 27 7.925 12.827 -2.203 1.00 0.52 C ATOM 432 O ASN A 27 6.998 13.559 -1.867 1.00 0.67 O ATOM 433 CB ASN A 27 9.337 14.776 -2.931 1.00 0.61 C ATOM 434 CG ASN A 27 8.983 15.822 -1.883 1.00 0.87 C ATOM 435 OD1 ASN A 27 7.817 16.171 -1.692 1.00 1.46 O ATOM 436 ND2 ASN A 27 9.991 16.337 -1.201 1.00 1.53 N ATOM 0 H ASN A 27 10.188 12.832 -4.234 1.00 0.49 H new ATOM 0 HA ASN A 27 9.840 13.360 -1.403 1.00 0.52 H new ATOM 0 HB2 ASN A 27 10.317 15.007 -3.349 1.00 0.61 H new ATOM 0 HB3 ASN A 27 8.619 14.834 -3.749 1.00 0.61 H new ATOM 0 HD21 ASN A 27 9.816 17.047 -0.490 1.00 1.53 H new ATOM 0 HD22 ASN A 27 10.944 16.024 -1.386 1.00 1.53 H new ATOM 443 N LEU A 28 7.780 11.536 -2.409 1.00 0.48 N ATOM 444 CA LEU A 28 6.500 10.863 -2.312 1.00 0.47 C ATOM 445 C LEU A 28 6.501 9.933 -1.105 1.00 0.45 C ATOM 446 O LEU A 28 5.452 9.522 -0.609 1.00 0.52 O ATOM 447 CB LEU A 28 6.235 10.075 -3.601 1.00 0.47 C ATOM 448 CG LEU A 28 4.921 9.296 -3.636 1.00 0.49 C ATOM 449 CD1 LEU A 28 3.745 10.231 -3.421 1.00 0.51 C ATOM 450 CD2 LEU A 28 4.782 8.555 -4.955 1.00 0.51 C ATOM 0 H LEU A 28 8.554 10.917 -2.651 1.00 0.48 H new ATOM 0 HA LEU A 28 5.707 11.599 -2.183 1.00 0.47 H new ATOM 0 HB2 LEU A 28 6.248 10.770 -4.441 1.00 0.47 H new ATOM 0 HB3 LEU A 28 7.057 9.375 -3.754 1.00 0.47 H new ATOM 0 HG LEU A 28 4.928 8.564 -2.829 1.00 0.49 H new ATOM 0 HD11 LEU A 28 2.817 9.660 -3.449 1.00 0.51 H new ATOM 0 HD12 LEU A 28 3.841 10.720 -2.452 1.00 0.51 H new ATOM 0 HD13 LEU A 28 3.731 10.985 -4.208 1.00 0.51 H new ATOM 0 HD21 LEU A 28 3.841 8.004 -4.966 1.00 0.51 H new ATOM 0 HD22 LEU A 28 4.793 9.271 -5.777 1.00 0.51 H new ATOM 0 HD23 LEU A 28 5.612 7.858 -5.070 1.00 0.51 H new ATOM 462 N PHE A 29 7.697 9.625 -0.626 1.00 0.42 N ATOM 463 CA PHE A 29 7.864 8.736 0.511 1.00 0.40 C ATOM 464 C PHE A 29 8.864 9.349 1.466 1.00 0.42 C ATOM 465 O PHE A 29 8.835 9.088 2.669 1.00 0.48 O ATOM 466 CB PHE A 29 8.343 7.354 0.061 1.00 0.36 C ATOM 467 CG PHE A 29 7.370 6.631 -0.822 1.00 0.36 C ATOM 468 CD1 PHE A 29 6.315 5.924 -0.273 1.00 0.41 C ATOM 469 CD2 PHE A 29 7.506 6.661 -2.200 1.00 0.36 C ATOM 470 CE1 PHE A 29 5.414 5.260 -1.081 1.00 0.44 C ATOM 471 CE2 PHE A 29 6.608 5.999 -3.012 1.00 0.39 C ATOM 472 CZ PHE A 29 5.561 5.297 -2.452 1.00 0.42 C ATOM 0 H PHE A 29 8.572 9.981 -1.011 1.00 0.42 H new ATOM 0 HA PHE A 29 6.903 8.608 1.009 1.00 0.40 H new ATOM 0 HB2 PHE A 29 9.289 7.463 -0.470 1.00 0.36 H new ATOM 0 HB3 PHE A 29 8.541 6.744 0.942 1.00 0.36 H new ATOM 0 HD1 PHE A 29 6.195 5.891 0.800 1.00 0.41 H new ATOM 0 HD2 PHE A 29 8.324 7.209 -2.644 1.00 0.36 H new ATOM 0 HE1 PHE A 29 4.595 4.712 -0.640 1.00 0.44 H new ATOM 0 HE2 PHE A 29 6.725 6.030 -4.085 1.00 0.39 H new ATOM 0 HZ PHE A 29 4.858 4.777 -3.086 1.00 0.42 H new ATOM 482 N HIS A 30 9.760 10.156 0.894 1.00 0.43 N ATOM 483 CA HIS A 30 10.718 10.951 1.652 1.00 0.52 C ATOM 484 C HIS A 30 11.636 10.058 2.482 1.00 0.45 C ATOM 485 O HIS A 30 12.188 10.488 3.494 1.00 0.48 O ATOM 486 CB HIS A 30 10.005 11.949 2.569 1.00 0.70 C ATOM 487 CG HIS A 30 8.928 12.767 1.918 1.00 1.23 C ATOM 488 ND1 HIS A 30 7.589 12.465 2.023 1.00 1.78 N ATOM 489 CD2 HIS A 30 8.996 13.905 1.190 1.00 2.07 C ATOM 490 CE1 HIS A 30 6.881 13.376 1.389 1.00 2.74 C ATOM 491 NE2 HIS A 30 7.708 14.267 0.876 1.00 2.97 N ATOM 0 H HIS A 30 9.839 10.274 -0.116 1.00 0.43 H new ATOM 0 HA HIS A 30 11.321 11.505 0.932 1.00 0.52 H new ATOM 0 HB2 HIS A 30 9.567 11.401 3.403 1.00 0.70 H new ATOM 0 HB3 HIS A 30 10.749 12.627 2.988 1.00 0.70 H new ATOM 0 HD2 HIS A 30 9.896 14.432 0.908 1.00 2.07 H new ATOM 0 HE1 HIS A 30 5.805 13.391 1.303 1.00 2.74 H new ATOM 0 HE2 HIS A 30 7.436 15.088 0.336 1.00 2.97 H new ATOM 500 N CYS A 31 11.804 8.821 2.026 1.00 0.44 N ATOM 501 CA CYS A 31 12.628 7.825 2.710 1.00 0.45 C ATOM 502 C CYS A 31 12.149 7.557 4.140 1.00 0.40 C ATOM 503 O CYS A 31 12.895 7.748 5.101 1.00 0.47 O ATOM 504 CB CYS A 31 14.105 8.249 2.720 1.00 0.62 C ATOM 505 SG CYS A 31 14.806 8.567 1.063 1.00 1.10 S ATOM 0 H CYS A 31 11.372 8.478 1.168 1.00 0.44 H new ATOM 0 HA CYS A 31 12.527 6.896 2.149 1.00 0.45 H new ATOM 0 HB2 CYS A 31 14.208 9.150 3.325 1.00 0.62 H new ATOM 0 HB3 CYS A 31 14.692 7.470 3.207 1.00 0.62 H new ATOM 510 N LYS A 32 10.891 7.144 4.284 1.00 0.39 N ATOM 511 CA LYS A 32 10.377 6.696 5.572 1.00 0.43 C ATOM 512 C LYS A 32 10.884 5.285 5.890 1.00 0.45 C ATOM 513 O LYS A 32 11.400 4.597 5.005 1.00 0.55 O ATOM 514 CB LYS A 32 8.841 6.748 5.592 1.00 0.50 C ATOM 515 CG LYS A 32 8.127 5.614 4.855 1.00 0.53 C ATOM 516 CD LYS A 32 8.185 5.729 3.334 1.00 0.90 C ATOM 517 CE LYS A 32 9.359 4.962 2.744 1.00 2.05 C ATOM 518 NZ LYS A 32 9.439 3.572 3.273 1.00 2.72 N ATOM 0 H LYS A 32 10.211 7.111 3.524 1.00 0.39 H new ATOM 0 HA LYS A 32 10.745 7.371 6.345 1.00 0.43 H new ATOM 0 HB2 LYS A 32 8.510 6.746 6.630 1.00 0.50 H new ATOM 0 HB3 LYS A 32 8.523 7.696 5.157 1.00 0.50 H new ATOM 0 HG2 LYS A 32 8.570 4.664 5.154 1.00 0.53 H new ATOM 0 HG3 LYS A 32 7.083 5.592 5.168 1.00 0.53 H new ATOM 0 HD2 LYS A 32 7.256 5.352 2.907 1.00 0.90 H new ATOM 0 HD3 LYS A 32 8.262 6.779 3.053 1.00 0.90 H new ATOM 0 HE2 LYS A 32 9.264 4.932 1.659 1.00 2.05 H new ATOM 0 HE3 LYS A 32 10.286 5.489 2.968 1.00 2.05 H new ATOM 0 HZ1 LYS A 32 10.336 3.446 3.785 1.00 2.72 H new ATOM 0 HZ2 LYS A 32 8.644 3.401 3.921 1.00 2.72 H new ATOM 0 HZ3 LYS A 32 9.394 2.897 2.483 1.00 2.72 H new ATOM 532 N ASP A 33 10.713 4.853 7.138 1.00 0.49 N ATOM 533 CA ASP A 33 11.208 3.547 7.591 1.00 0.54 C ATOM 534 C ASP A 33 10.708 2.420 6.699 1.00 0.48 C ATOM 535 O ASP A 33 11.497 1.696 6.094 1.00 0.51 O ATOM 536 CB ASP A 33 10.779 3.258 9.034 1.00 0.66 C ATOM 537 CG ASP A 33 11.452 4.153 10.053 1.00 1.28 C ATOM 538 OD1 ASP A 33 12.676 4.021 10.254 1.00 1.57 O ATOM 539 OD2 ASP A 33 10.750 4.978 10.682 1.00 2.06 O ATOM 0 H ASP A 33 10.233 5.390 7.860 1.00 0.49 H new ATOM 0 HA ASP A 33 12.296 3.593 7.537 1.00 0.54 H new ATOM 0 HB2 ASP A 33 9.699 3.377 9.115 1.00 0.66 H new ATOM 0 HB3 ASP A 33 11.004 2.218 9.270 1.00 0.66 H new ATOM 544 N LYS A 34 9.395 2.277 6.599 1.00 0.44 N ATOM 545 CA LYS A 34 8.827 1.184 5.821 1.00 0.41 C ATOM 546 C LYS A 34 7.605 1.627 5.028 1.00 0.38 C ATOM 547 O LYS A 34 7.050 2.696 5.269 1.00 0.43 O ATOM 548 CB LYS A 34 8.506 -0.025 6.716 1.00 0.48 C ATOM 549 CG LYS A 34 7.724 0.296 7.983 1.00 0.95 C ATOM 550 CD LYS A 34 6.254 0.561 7.707 1.00 1.27 C ATOM 551 CE LYS A 34 5.485 0.779 8.996 1.00 1.96 C ATOM 552 NZ LYS A 34 4.055 1.082 8.741 1.00 2.60 N ATOM 0 H LYS A 34 8.711 2.893 7.039 1.00 0.44 H new ATOM 0 HA LYS A 34 9.582 0.874 5.098 1.00 0.41 H new ATOM 0 HB2 LYS A 34 7.938 -0.749 6.131 1.00 0.48 H new ATOM 0 HB3 LYS A 34 9.442 -0.507 6.998 1.00 0.48 H new ATOM 0 HG2 LYS A 34 7.815 -0.535 8.683 1.00 0.95 H new ATOM 0 HG3 LYS A 34 8.163 1.169 8.466 1.00 0.95 H new ATOM 0 HD2 LYS A 34 6.154 1.438 7.068 1.00 1.27 H new ATOM 0 HD3 LYS A 34 5.826 -0.281 7.163 1.00 1.27 H new ATOM 0 HE2 LYS A 34 5.562 -0.111 9.620 1.00 1.96 H new ATOM 0 HE3 LYS A 34 5.936 1.599 9.554 1.00 1.96 H new ATOM 0 HZ1 LYS A 34 3.564 1.224 9.646 1.00 2.60 H new ATOM 0 HZ2 LYS A 34 3.980 1.946 8.167 1.00 2.60 H new ATOM 0 HZ3 LYS A 34 3.618 0.288 8.231 1.00 2.60 H new ATOM 566 N ASN A 35 7.225 0.817 4.050 1.00 0.37 N ATOM 567 CA ASN A 35 6.074 1.104 3.202 1.00 0.36 C ATOM 568 C ASN A 35 5.633 -0.166 2.491 1.00 0.34 C ATOM 569 O ASN A 35 6.399 -0.742 1.719 1.00 0.38 O ATOM 570 CB ASN A 35 6.413 2.169 2.154 1.00 0.36 C ATOM 571 CG ASN A 35 5.180 2.700 1.446 1.00 0.38 C ATOM 572 OD1 ASN A 35 4.565 3.670 1.886 1.00 0.75 O ATOM 573 ND2 ASN A 35 4.817 2.073 0.344 1.00 0.35 N ATOM 0 H ASN A 35 7.703 -0.055 3.822 1.00 0.37 H new ATOM 0 HA ASN A 35 5.271 1.479 3.837 1.00 0.36 H new ATOM 0 HB2 ASN A 35 6.935 2.995 2.636 1.00 0.36 H new ATOM 0 HB3 ASN A 35 7.097 1.746 1.418 1.00 0.36 H new ATOM 0 HD21 ASN A 35 3.999 2.389 -0.177 1.00 0.35 H new ATOM 0 HD22 ASN A 35 5.354 1.272 0.012 1.00 0.35 H new ATOM 580 N THR A 36 4.416 -0.606 2.759 1.00 0.32 N ATOM 581 CA THR A 36 3.895 -1.807 2.133 1.00 0.30 C ATOM 582 C THR A 36 3.113 -1.468 0.860 1.00 0.26 C ATOM 583 O THR A 36 2.109 -0.746 0.901 1.00 0.28 O ATOM 584 CB THR A 36 2.993 -2.596 3.106 1.00 0.36 C ATOM 585 OG1 THR A 36 3.711 -2.891 4.314 1.00 0.45 O ATOM 586 CG2 THR A 36 2.518 -3.896 2.471 1.00 0.37 C ATOM 0 H THR A 36 3.772 -0.150 3.405 1.00 0.32 H new ATOM 0 HA THR A 36 4.748 -2.431 1.865 1.00 0.30 H new ATOM 0 HB THR A 36 2.124 -1.980 3.338 1.00 0.36 H new ATOM 0 HG1 THR A 36 4.625 -2.545 4.244 1.00 0.45 H new ATOM 0 HG21 THR A 36 1.884 -4.435 3.175 1.00 0.37 H new ATOM 0 HG22 THR A 36 1.949 -3.673 1.568 1.00 0.37 H new ATOM 0 HG23 THR A 36 3.380 -4.512 2.214 1.00 0.37 H new ATOM 594 N PHE A 37 3.598 -1.964 -0.271 1.00 0.21 N ATOM 595 CA PHE A 37 2.903 -1.817 -1.540 1.00 0.18 C ATOM 596 C PHE A 37 2.026 -3.037 -1.788 1.00 0.18 C ATOM 597 O PHE A 37 2.294 -4.124 -1.272 1.00 0.21 O ATOM 598 CB PHE A 37 3.896 -1.660 -2.699 1.00 0.17 C ATOM 599 CG PHE A 37 4.774 -0.441 -2.615 1.00 0.17 C ATOM 600 CD1 PHE A 37 5.885 -0.430 -1.791 1.00 0.19 C ATOM 601 CD2 PHE A 37 4.501 0.687 -3.378 1.00 0.19 C ATOM 602 CE1 PHE A 37 6.706 0.676 -1.725 1.00 0.21 C ATOM 603 CE2 PHE A 37 5.318 1.796 -3.312 1.00 0.20 C ATOM 604 CZ PHE A 37 6.422 1.789 -2.486 1.00 0.20 C ATOM 0 H PHE A 37 4.478 -2.476 -0.333 1.00 0.21 H new ATOM 0 HA PHE A 37 2.287 -0.919 -1.489 1.00 0.18 H new ATOM 0 HB2 PHE A 37 4.530 -2.546 -2.738 1.00 0.17 H new ATOM 0 HB3 PHE A 37 3.338 -1.625 -3.635 1.00 0.17 H new ATOM 0 HD1 PHE A 37 6.112 -1.299 -1.191 1.00 0.19 H new ATOM 0 HD2 PHE A 37 3.640 0.696 -4.030 1.00 0.19 H new ATOM 0 HE1 PHE A 37 7.570 0.670 -1.078 1.00 0.21 H new ATOM 0 HE2 PHE A 37 5.093 2.669 -3.907 1.00 0.20 H new ATOM 0 HZ PHE A 37 7.064 2.656 -2.435 1.00 0.20 H new ATOM 614 N ILE A 38 0.985 -2.849 -2.572 1.00 0.18 N ATOM 615 CA ILE A 38 0.063 -3.916 -2.896 1.00 0.17 C ATOM 616 C ILE A 38 0.193 -4.285 -4.366 1.00 0.17 C ATOM 617 O ILE A 38 0.005 -3.440 -5.245 1.00 0.18 O ATOM 618 CB ILE A 38 -1.391 -3.490 -2.608 1.00 0.18 C ATOM 619 CG1 ILE A 38 -1.520 -3.003 -1.161 1.00 0.20 C ATOM 620 CG2 ILE A 38 -2.348 -4.648 -2.872 1.00 0.17 C ATOM 621 CD1 ILE A 38 -2.789 -2.224 -0.895 1.00 0.22 C ATOM 0 H ILE A 38 0.755 -1.953 -3.002 1.00 0.18 H new ATOM 0 HA ILE A 38 0.309 -4.777 -2.275 1.00 0.17 H new ATOM 0 HB ILE A 38 -1.655 -2.670 -3.276 1.00 0.18 H new ATOM 0 HG12 ILE A 38 -1.485 -3.863 -0.492 1.00 0.20 H new ATOM 0 HG13 ILE A 38 -0.662 -2.376 -0.919 1.00 0.20 H new ATOM 0 HG21 ILE A 38 -3.370 -4.330 -2.664 1.00 0.17 H new ATOM 0 HG22 ILE A 38 -2.269 -4.955 -3.915 1.00 0.17 H new ATOM 0 HG23 ILE A 38 -2.090 -5.487 -2.226 1.00 0.17 H new ATOM 0 HD11 ILE A 38 -2.812 -1.911 0.149 1.00 0.22 H new ATOM 0 HD12 ILE A 38 -2.817 -1.344 -1.538 1.00 0.22 H new ATOM 0 HD13 ILE A 38 -3.653 -2.854 -1.104 1.00 0.22 H new ATOM 633 N TYR A 39 0.542 -5.533 -4.630 1.00 0.16 N ATOM 634 CA TYR A 39 0.606 -6.026 -5.992 1.00 0.17 C ATOM 635 C TYR A 39 -0.790 -6.390 -6.465 1.00 0.18 C ATOM 636 O TYR A 39 -1.272 -7.510 -6.260 1.00 0.18 O ATOM 637 CB TYR A 39 1.545 -7.229 -6.099 1.00 0.20 C ATOM 638 CG TYR A 39 1.566 -7.871 -7.471 1.00 0.23 C ATOM 639 CD1 TYR A 39 2.151 -7.225 -8.554 1.00 0.26 C ATOM 640 CD2 TYR A 39 1.005 -9.122 -7.680 1.00 0.29 C ATOM 641 CE1 TYR A 39 2.171 -7.808 -9.806 1.00 0.31 C ATOM 642 CE2 TYR A 39 1.023 -9.711 -8.930 1.00 0.34 C ATOM 643 CZ TYR A 39 1.602 -9.051 -9.987 1.00 0.35 C ATOM 644 OH TYR A 39 1.616 -9.630 -11.234 1.00 0.40 O ATOM 0 H TYR A 39 0.785 -6.222 -3.918 1.00 0.16 H new ATOM 0 HA TYR A 39 1.007 -5.240 -6.631 1.00 0.17 H new ATOM 0 HB2 TYR A 39 2.556 -6.913 -5.841 1.00 0.20 H new ATOM 0 HB3 TYR A 39 1.247 -7.976 -5.363 1.00 0.20 H new ATOM 0 HD1 TYR A 39 2.597 -6.251 -8.414 1.00 0.26 H new ATOM 0 HD2 TYR A 39 0.547 -9.644 -6.853 1.00 0.29 H new ATOM 0 HE1 TYR A 39 2.629 -7.294 -10.638 1.00 0.31 H new ATOM 0 HE2 TYR A 39 0.583 -10.687 -9.076 1.00 0.34 H new ATOM 0 HH TYR A 39 1.176 -10.505 -11.193 1.00 0.40 H new ATOM 654 N SER A 40 -1.440 -5.408 -7.050 1.00 0.23 N ATOM 655 CA SER A 40 -2.777 -5.547 -7.572 1.00 0.26 C ATOM 656 C SER A 40 -3.118 -4.259 -8.298 1.00 0.29 C ATOM 657 O SER A 40 -2.320 -3.317 -8.299 1.00 0.50 O ATOM 658 CB SER A 40 -3.776 -5.821 -6.437 1.00 0.25 C ATOM 659 OG SER A 40 -5.065 -6.138 -6.942 1.00 0.93 O ATOM 0 H SER A 40 -1.046 -4.476 -7.177 1.00 0.23 H new ATOM 0 HA SER A 40 -2.835 -6.392 -8.258 1.00 0.26 H new ATOM 0 HB2 SER A 40 -3.413 -6.644 -5.822 1.00 0.25 H new ATOM 0 HB3 SER A 40 -3.843 -4.946 -5.791 1.00 0.25 H new ATOM 0 HG SER A 40 -5.676 -6.308 -6.195 1.00 0.93 H new ATOM 665 N ARG A 41 -4.269 -4.206 -8.928 1.00 0.25 N ATOM 666 CA ARG A 41 -4.685 -2.989 -9.585 1.00 0.27 C ATOM 667 C ARG A 41 -5.494 -2.128 -8.626 1.00 0.22 C ATOM 668 O ARG A 41 -6.094 -2.631 -7.681 1.00 0.23 O ATOM 669 CB ARG A 41 -5.476 -3.280 -10.865 1.00 0.33 C ATOM 670 CG ARG A 41 -4.598 -3.705 -12.032 1.00 0.54 C ATOM 671 CD ARG A 41 -3.565 -2.633 -12.325 1.00 1.08 C ATOM 672 NE ARG A 41 -2.765 -2.908 -13.513 1.00 1.30 N ATOM 673 CZ ARG A 41 -2.359 -1.955 -14.347 1.00 2.21 C ATOM 674 NH1 ARG A 41 -2.804 -0.713 -14.194 1.00 2.92 N ATOM 675 NH2 ARG A 41 -1.542 -2.240 -15.349 1.00 2.66 N ATOM 0 H ARG A 41 -4.927 -4.982 -8.999 1.00 0.25 H new ATOM 0 HA ARG A 41 -3.791 -2.440 -9.879 1.00 0.27 H new ATOM 0 HB2 ARG A 41 -6.205 -4.065 -10.663 1.00 0.33 H new ATOM 0 HB3 ARG A 41 -6.037 -2.389 -11.147 1.00 0.33 H new ATOM 0 HG2 ARG A 41 -4.100 -4.646 -11.799 1.00 0.54 H new ATOM 0 HG3 ARG A 41 -5.213 -3.880 -12.915 1.00 0.54 H new ATOM 0 HD2 ARG A 41 -4.071 -1.676 -12.451 1.00 1.08 H new ATOM 0 HD3 ARG A 41 -2.903 -2.533 -11.465 1.00 1.08 H new ATOM 0 HE ARG A 41 -2.505 -3.874 -13.713 1.00 1.30 H new ATOM 0 HH11 ARG A 41 -3.454 -0.494 -13.439 1.00 2.92 H new ATOM 0 HH12 ARG A 41 -2.495 0.021 -14.831 1.00 2.92 H new ATOM 0 HH21 ARG A 41 -1.218 -3.197 -15.487 1.00 2.66 H new ATOM 0 HH22 ARG A 41 -1.236 -1.502 -15.983 1.00 2.66 H new ATOM 689 N PRO A 42 -5.515 -0.817 -8.864 1.00 0.22 N ATOM 690 CA PRO A 42 -6.220 0.137 -8.005 1.00 0.21 C ATOM 691 C PRO A 42 -7.727 -0.098 -8.012 1.00 0.20 C ATOM 692 O PRO A 42 -8.425 0.253 -7.071 1.00 0.23 O ATOM 693 CB PRO A 42 -5.884 1.497 -8.628 1.00 0.24 C ATOM 694 CG PRO A 42 -5.510 1.191 -10.035 1.00 0.25 C ATOM 695 CD PRO A 42 -4.859 -0.159 -10.001 1.00 0.30 C ATOM 0 HA PRO A 42 -5.919 0.052 -6.961 1.00 0.21 H new ATOM 0 HB2 PRO A 42 -6.738 2.173 -8.584 1.00 0.24 H new ATOM 0 HB3 PRO A 42 -5.065 1.983 -8.098 1.00 0.24 H new ATOM 0 HG2 PRO A 42 -6.388 1.185 -10.681 1.00 0.25 H new ATOM 0 HG3 PRO A 42 -4.828 1.944 -10.431 1.00 0.25 H new ATOM 0 HD2 PRO A 42 -5.018 -0.707 -10.930 1.00 0.30 H new ATOM 0 HD3 PRO A 42 -3.781 -0.083 -9.856 1.00 0.30 H new ATOM 703 N GLU A 43 -8.209 -0.729 -9.069 1.00 0.21 N ATOM 704 CA GLU A 43 -9.629 -0.952 -9.249 1.00 0.25 C ATOM 705 C GLU A 43 -10.152 -2.016 -8.274 1.00 0.23 C ATOM 706 O GLU A 43 -11.047 -1.734 -7.481 1.00 0.24 O ATOM 707 CB GLU A 43 -9.885 -1.346 -10.701 1.00 0.36 C ATOM 708 CG GLU A 43 -9.468 -0.276 -11.692 1.00 0.48 C ATOM 709 CD GLU A 43 -9.249 -0.831 -13.080 1.00 1.60 C ATOM 710 OE1 GLU A 43 -8.125 -1.281 -13.376 1.00 2.36 O ATOM 711 OE2 GLU A 43 -10.202 -0.811 -13.887 1.00 1.99 O ATOM 0 H GLU A 43 -7.628 -1.099 -9.822 1.00 0.21 H new ATOM 0 HA GLU A 43 -10.172 -0.033 -9.028 1.00 0.25 H new ATOM 0 HB2 GLU A 43 -9.345 -2.267 -10.922 1.00 0.36 H new ATOM 0 HB3 GLU A 43 -10.946 -1.559 -10.831 1.00 0.36 H new ATOM 0 HG2 GLU A 43 -10.234 0.499 -11.730 1.00 0.48 H new ATOM 0 HG3 GLU A 43 -8.551 0.199 -11.345 1.00 0.48 H new ATOM 718 N PRO A 44 -9.594 -3.248 -8.298 1.00 0.24 N ATOM 719 CA PRO A 44 -9.994 -4.316 -7.372 1.00 0.26 C ATOM 720 C PRO A 44 -9.689 -3.976 -5.910 1.00 0.24 C ATOM 721 O PRO A 44 -10.269 -4.559 -4.996 1.00 0.27 O ATOM 722 CB PRO A 44 -9.167 -5.524 -7.826 1.00 0.30 C ATOM 723 CG PRO A 44 -8.027 -4.949 -8.588 1.00 0.36 C ATOM 724 CD PRO A 44 -8.562 -3.711 -9.239 1.00 0.27 C ATOM 0 HA PRO A 44 -11.070 -4.487 -7.402 1.00 0.26 H new ATOM 0 HB2 PRO A 44 -8.818 -6.106 -6.973 1.00 0.30 H new ATOM 0 HB3 PRO A 44 -9.759 -6.195 -8.448 1.00 0.30 H new ATOM 0 HG2 PRO A 44 -7.192 -4.715 -7.927 1.00 0.36 H new ATOM 0 HG3 PRO A 44 -7.657 -5.655 -9.332 1.00 0.36 H new ATOM 0 HD2 PRO A 44 -7.782 -2.962 -9.380 1.00 0.27 H new ATOM 0 HD3 PRO A 44 -8.981 -3.924 -10.222 1.00 0.27 H new ATOM 732 N VAL A 45 -8.791 -3.021 -5.695 1.00 0.20 N ATOM 733 CA VAL A 45 -8.442 -2.600 -4.343 1.00 0.19 C ATOM 734 C VAL A 45 -9.383 -1.491 -3.875 1.00 0.17 C ATOM 735 O VAL A 45 -9.740 -1.416 -2.700 1.00 0.18 O ATOM 736 CB VAL A 45 -6.970 -2.125 -4.254 1.00 0.19 C ATOM 737 CG1 VAL A 45 -6.650 -1.581 -2.870 1.00 0.20 C ATOM 738 CG2 VAL A 45 -6.028 -3.267 -4.601 1.00 0.23 C ATOM 0 H VAL A 45 -8.294 -2.526 -6.435 1.00 0.20 H new ATOM 0 HA VAL A 45 -8.552 -3.464 -3.688 1.00 0.19 H new ATOM 0 HB VAL A 45 -6.831 -1.318 -4.974 1.00 0.19 H new ATOM 0 HG11 VAL A 45 -5.610 -1.256 -2.838 1.00 0.20 H new ATOM 0 HG12 VAL A 45 -7.302 -0.735 -2.652 1.00 0.20 H new ATOM 0 HG13 VAL A 45 -6.808 -2.362 -2.126 1.00 0.20 H new ATOM 0 HG21 VAL A 45 -4.997 -2.921 -4.535 1.00 0.23 H new ATOM 0 HG22 VAL A 45 -6.180 -4.089 -3.902 1.00 0.23 H new ATOM 0 HG23 VAL A 45 -6.231 -3.611 -5.615 1.00 0.23 H new ATOM 748 N LYS A 46 -9.811 -0.649 -4.804 1.00 0.15 N ATOM 749 CA LYS A 46 -10.796 0.377 -4.499 1.00 0.15 C ATOM 750 C LYS A 46 -12.161 -0.275 -4.300 1.00 0.17 C ATOM 751 O LYS A 46 -13.001 0.221 -3.547 1.00 0.20 O ATOM 752 CB LYS A 46 -10.859 1.415 -5.625 1.00 0.17 C ATOM 753 CG LYS A 46 -11.694 2.636 -5.284 1.00 0.20 C ATOM 754 CD LYS A 46 -11.663 3.658 -6.403 1.00 0.27 C ATOM 755 CE LYS A 46 -12.395 4.927 -6.010 1.00 0.37 C ATOM 756 NZ LYS A 46 -13.817 4.666 -5.673 1.00 1.36 N ATOM 0 H LYS A 46 -9.492 -0.656 -5.773 1.00 0.15 H new ATOM 0 HA LYS A 46 -10.505 0.890 -3.582 1.00 0.15 H new ATOM 0 HB2 LYS A 46 -9.846 1.735 -5.869 1.00 0.17 H new ATOM 0 HB3 LYS A 46 -11.268 0.944 -6.519 1.00 0.17 H new ATOM 0 HG2 LYS A 46 -12.724 2.333 -5.095 1.00 0.20 H new ATOM 0 HG3 LYS A 46 -11.321 3.089 -4.365 1.00 0.20 H new ATOM 0 HD2 LYS A 46 -10.629 3.895 -6.654 1.00 0.27 H new ATOM 0 HD3 LYS A 46 -12.119 3.235 -7.298 1.00 0.27 H new ATOM 0 HE2 LYS A 46 -11.897 5.383 -5.154 1.00 0.37 H new ATOM 0 HE3 LYS A 46 -12.342 5.645 -6.829 1.00 0.37 H new ATOM 0 HZ1 LYS A 46 -14.371 5.536 -5.807 1.00 1.36 H new ATOM 0 HZ2 LYS A 46 -14.189 3.919 -6.294 1.00 1.36 H new ATOM 0 HZ3 LYS A 46 -13.888 4.360 -4.682 1.00 1.36 H new ATOM 770 N ALA A 47 -12.356 -1.409 -4.970 1.00 0.18 N ATOM 771 CA ALA A 47 -13.585 -2.183 -4.858 1.00 0.22 C ATOM 772 C ALA A 47 -13.766 -2.732 -3.445 1.00 0.22 C ATOM 773 O ALA A 47 -14.884 -3.040 -3.033 1.00 0.27 O ATOM 774 CB ALA A 47 -13.594 -3.320 -5.872 1.00 0.26 C ATOM 0 H ALA A 47 -11.667 -1.814 -5.604 1.00 0.18 H new ATOM 0 HA ALA A 47 -14.420 -1.516 -5.071 1.00 0.22 H new ATOM 0 HB1 ALA A 47 -14.519 -3.888 -5.774 1.00 0.26 H new ATOM 0 HB2 ALA A 47 -13.525 -2.910 -6.879 1.00 0.26 H new ATOM 0 HB3 ALA A 47 -12.744 -3.977 -5.689 1.00 0.26 H new ATOM 780 N ILE A 48 -12.666 -2.844 -2.702 1.00 0.20 N ATOM 781 CA ILE A 48 -12.728 -3.270 -1.309 1.00 0.21 C ATOM 782 C ILE A 48 -13.551 -2.271 -0.505 1.00 0.21 C ATOM 783 O ILE A 48 -14.230 -2.629 0.457 1.00 0.23 O ATOM 784 CB ILE A 48 -11.317 -3.397 -0.685 1.00 0.20 C ATOM 785 CG1 ILE A 48 -10.456 -4.352 -1.520 1.00 0.21 C ATOM 786 CG2 ILE A 48 -11.412 -3.900 0.751 1.00 0.22 C ATOM 787 CD1 ILE A 48 -9.014 -4.407 -1.079 1.00 0.21 C ATOM 0 H ILE A 48 -11.725 -2.646 -3.042 1.00 0.20 H new ATOM 0 HA ILE A 48 -13.198 -4.253 -1.281 1.00 0.21 H new ATOM 0 HB ILE A 48 -10.851 -2.412 -0.678 1.00 0.20 H new ATOM 0 HG12 ILE A 48 -10.882 -5.354 -1.466 1.00 0.21 H new ATOM 0 HG13 ILE A 48 -10.496 -4.045 -2.565 1.00 0.21 H new ATOM 0 HG21 ILE A 48 -10.411 -3.983 1.174 1.00 0.22 H new ATOM 0 HG22 ILE A 48 -11.999 -3.199 1.344 1.00 0.22 H new ATOM 0 HG23 ILE A 48 -11.894 -4.878 0.763 1.00 0.22 H new ATOM 0 HD11 ILE A 48 -8.465 -5.102 -1.714 1.00 0.21 H new ATOM 0 HD12 ILE A 48 -8.571 -3.415 -1.160 1.00 0.21 H new ATOM 0 HD13 ILE A 48 -8.963 -4.744 -0.044 1.00 0.21 H new ATOM 799 N CYS A 49 -13.515 -1.016 -0.935 1.00 0.20 N ATOM 800 CA CYS A 49 -14.241 0.038 -0.258 1.00 0.21 C ATOM 801 C CYS A 49 -15.558 0.358 -0.961 1.00 0.25 C ATOM 802 O CYS A 49 -16.167 1.398 -0.708 1.00 0.25 O ATOM 803 CB CYS A 49 -13.356 1.273 -0.173 1.00 0.19 C ATOM 804 SG CYS A 49 -11.821 0.978 0.750 1.00 0.18 S ATOM 0 H CYS A 49 -12.988 -0.708 -1.752 1.00 0.20 H new ATOM 0 HA CYS A 49 -14.495 -0.300 0.747 1.00 0.21 H new ATOM 0 HB2 CYS A 49 -13.110 1.608 -1.181 1.00 0.19 H new ATOM 0 HB3 CYS A 49 -13.912 2.080 0.304 1.00 0.19 H new ATOM 809 N LYS A 50 -16.001 -0.540 -1.834 1.00 0.32 N ATOM 810 CA LYS A 50 -17.281 -0.377 -2.514 1.00 0.40 C ATOM 811 C LYS A 50 -18.422 -0.327 -1.503 1.00 0.39 C ATOM 812 O LYS A 50 -18.581 -1.233 -0.681 1.00 0.47 O ATOM 813 CB LYS A 50 -17.508 -1.515 -3.512 1.00 0.54 C ATOM 814 CG LYS A 50 -18.795 -1.387 -4.316 1.00 0.68 C ATOM 815 CD LYS A 50 -19.041 -2.619 -5.174 1.00 0.92 C ATOM 816 CE LYS A 50 -17.984 -2.782 -6.257 1.00 1.58 C ATOM 817 NZ LYS A 50 -18.148 -4.061 -6.999 1.00 2.33 N ATOM 0 H LYS A 50 -15.493 -1.388 -2.087 1.00 0.32 H new ATOM 0 HA LYS A 50 -17.259 0.566 -3.061 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -16.664 -1.554 -4.201 1.00 0.54 H new ATOM 0 HB3 LYS A 50 -17.522 -2.461 -2.971 1.00 0.54 H new ATOM 0 HG2 LYS A 50 -19.636 -1.241 -3.638 1.00 0.68 H new ATOM 0 HG3 LYS A 50 -18.741 -0.504 -4.953 1.00 0.68 H new ATOM 0 HD2 LYS A 50 -19.050 -3.506 -4.540 1.00 0.92 H new ATOM 0 HD3 LYS A 50 -20.025 -2.548 -5.636 1.00 0.92 H new ATOM 0 HE2 LYS A 50 -18.046 -1.946 -6.954 1.00 1.58 H new ATOM 0 HE3 LYS A 50 -16.992 -2.748 -5.806 1.00 1.58 H new ATOM 0 HZ1 LYS A 50 -17.410 -4.136 -7.728 1.00 2.33 H new ATOM 0 HZ2 LYS A 50 -18.064 -4.859 -6.338 1.00 2.33 H new ATOM 0 HZ3 LYS A 50 -19.085 -4.083 -7.451 1.00 2.33 H new ATOM 831 N GLY A 51 -19.191 0.750 -1.555 1.00 0.36 N ATOM 832 CA GLY A 51 -20.334 0.893 -0.683 1.00 0.38 C ATOM 833 C GLY A 51 -19.965 1.376 0.706 1.00 0.37 C ATOM 834 O GLY A 51 -20.752 1.239 1.640 1.00 0.44 O ATOM 0 H GLY A 51 -19.040 1.533 -2.192 1.00 0.36 H new ATOM 0 HA2 GLY A 51 -21.039 1.594 -1.130 1.00 0.38 H new ATOM 0 HA3 GLY A 51 -20.845 -0.066 -0.604 1.00 0.38 H new ATOM 838 N ILE A 52 -18.767 1.929 0.852 1.00 0.31 N ATOM 839 CA ILE A 52 -18.314 2.433 2.140 1.00 0.29 C ATOM 840 C ILE A 52 -18.052 3.932 2.052 1.00 0.29 C ATOM 841 O ILE A 52 -16.985 4.360 1.608 1.00 0.27 O ATOM 842 CB ILE A 52 -17.025 1.725 2.598 1.00 0.26 C ATOM 843 CG1 ILE A 52 -17.131 0.216 2.359 1.00 0.28 C ATOM 844 CG2 ILE A 52 -16.756 2.017 4.066 1.00 0.28 C ATOM 845 CD1 ILE A 52 -18.210 -0.469 3.173 1.00 0.33 C ATOM 0 H ILE A 52 -18.093 2.039 0.094 1.00 0.31 H new ATOM 0 HA ILE A 52 -19.100 2.233 2.868 1.00 0.29 H new ATOM 0 HB ILE A 52 -16.190 2.107 2.011 1.00 0.26 H new ATOM 0 HG12 ILE A 52 -17.324 0.040 1.301 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -16.171 -0.245 2.589 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -15.842 1.510 4.376 1.00 0.28 H new ATOM 0 HG22 ILE A 52 -16.641 3.092 4.208 1.00 0.28 H new ATOM 0 HG23 ILE A 52 -17.592 1.659 4.667 1.00 0.28 H new ATOM 0 HD11 ILE A 52 -18.217 -1.535 2.944 1.00 0.33 H new ATOM 0 HD12 ILE A 52 -18.010 -0.328 4.235 1.00 0.33 H new ATOM 0 HD13 ILE A 52 -19.180 -0.038 2.927 1.00 0.33 H new ATOM 857 N ILE A 53 -19.030 4.724 2.457 1.00 0.33 N ATOM 858 CA ILE A 53 -18.953 6.167 2.306 1.00 0.35 C ATOM 859 C ILE A 53 -18.271 6.818 3.505 1.00 0.34 C ATOM 860 O ILE A 53 -17.327 7.595 3.344 1.00 0.35 O ATOM 861 CB ILE A 53 -20.355 6.775 2.120 1.00 0.40 C ATOM 862 CG1 ILE A 53 -21.050 6.147 0.915 1.00 0.49 C ATOM 863 CG2 ILE A 53 -20.278 8.281 1.967 1.00 0.42 C ATOM 864 CD1 ILE A 53 -20.173 6.037 -0.310 1.00 0.55 C ATOM 0 H ILE A 53 -19.889 4.391 2.894 1.00 0.33 H new ATOM 0 HA ILE A 53 -18.355 6.365 1.416 1.00 0.35 H new ATOM 0 HB ILE A 53 -20.942 6.558 3.012 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -21.401 5.152 1.189 1.00 0.49 H new ATOM 0 HG13 ILE A 53 -21.931 6.739 0.667 1.00 0.49 H new ATOM 0 HG21 ILE A 53 -21.282 8.685 1.837 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -19.825 8.715 2.858 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -19.672 8.528 1.095 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -20.739 5.581 -1.123 1.00 0.55 H new ATOM 0 HD12 ILE A 53 -19.842 7.031 -0.611 1.00 0.55 H new ATOM 0 HD13 ILE A 53 -19.304 5.419 -0.081 1.00 0.55 H new ATOM 876 N ALA A 54 -18.759 6.515 4.693 1.00 0.37 N ATOM 877 CA ALA A 54 -18.161 7.030 5.915 1.00 0.38 C ATOM 878 C ALA A 54 -16.830 6.343 6.181 1.00 0.33 C ATOM 879 O ALA A 54 -16.684 5.152 5.913 1.00 0.32 O ATOM 880 CB ALA A 54 -19.106 6.842 7.090 1.00 0.46 C ATOM 0 H ALA A 54 -19.570 5.914 4.840 1.00 0.37 H new ATOM 0 HA ALA A 54 -17.979 8.098 5.791 1.00 0.38 H new ATOM 0 HB1 ALA A 54 -18.643 7.233 7.996 1.00 0.46 H new ATOM 0 HB2 ALA A 54 -20.036 7.377 6.898 1.00 0.46 H new ATOM 0 HB3 ALA A 54 -19.318 5.781 7.220 1.00 0.46 H new ATOM 886 N SER A 55 -15.861 7.113 6.672 1.00 0.34 N ATOM 887 CA SER A 55 -14.532 6.600 6.984 1.00 0.34 C ATOM 888 C SER A 55 -14.622 5.351 7.866 1.00 0.32 C ATOM 889 O SER A 55 -14.931 5.430 9.058 1.00 0.36 O ATOM 890 CB SER A 55 -13.701 7.691 7.668 1.00 0.41 C ATOM 891 OG SER A 55 -12.335 7.322 7.758 1.00 1.42 O ATOM 0 H SER A 55 -15.976 8.108 6.864 1.00 0.34 H new ATOM 0 HA SER A 55 -14.040 6.314 6.054 1.00 0.34 H new ATOM 0 HB2 SER A 55 -13.792 8.623 7.110 1.00 0.41 H new ATOM 0 HB3 SER A 55 -14.095 7.878 8.667 1.00 0.41 H new ATOM 0 HG SER A 55 -11.831 8.039 8.197 1.00 1.42 H new ATOM 897 N LYS A 56 -14.363 4.201 7.262 1.00 0.30 N ATOM 898 CA LYS A 56 -14.497 2.921 7.939 1.00 0.31 C ATOM 899 C LYS A 56 -13.287 2.044 7.647 1.00 0.29 C ATOM 900 O LYS A 56 -12.926 1.836 6.488 1.00 0.27 O ATOM 901 CB LYS A 56 -15.780 2.230 7.468 1.00 0.34 C ATOM 902 CG LYS A 56 -16.123 0.953 8.213 1.00 0.40 C ATOM 903 CD LYS A 56 -17.351 0.286 7.613 1.00 0.51 C ATOM 904 CE LYS A 56 -17.853 -0.860 8.475 1.00 0.94 C ATOM 905 NZ LYS A 56 -18.355 -0.389 9.791 1.00 1.71 N ATOM 0 H LYS A 56 -14.055 4.129 6.292 1.00 0.30 H new ATOM 0 HA LYS A 56 -14.552 3.085 9.015 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -16.611 2.928 7.570 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -15.684 2.001 6.407 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -15.277 0.267 8.175 1.00 0.40 H new ATOM 0 HG3 LYS A 56 -16.304 1.178 9.264 1.00 0.40 H new ATOM 0 HD2 LYS A 56 -18.144 1.025 7.494 1.00 0.51 H new ATOM 0 HD3 LYS A 56 -17.111 -0.087 6.617 1.00 0.51 H new ATOM 0 HE2 LYS A 56 -18.650 -1.386 7.950 1.00 0.94 H new ATOM 0 HE3 LYS A 56 -17.047 -1.577 8.630 1.00 0.94 H new ATOM 0 HZ1 LYS A 56 -18.941 -1.131 10.225 1.00 1.71 H new ATOM 0 HZ2 LYS A 56 -17.550 -0.175 10.413 1.00 1.71 H new ATOM 0 HZ3 LYS A 56 -18.927 0.469 9.657 1.00 1.71 H new ATOM 919 N ASN A 57 -12.649 1.556 8.698 1.00 0.36 N ATOM 920 CA ASN A 57 -11.514 0.656 8.545 1.00 0.37 C ATOM 921 C ASN A 57 -11.999 -0.752 8.235 1.00 0.33 C ATOM 922 O ASN A 57 -12.550 -1.433 9.105 1.00 0.41 O ATOM 923 CB ASN A 57 -10.651 0.646 9.811 1.00 0.50 C ATOM 924 CG ASN A 57 -9.919 1.958 10.028 1.00 0.80 C ATOM 925 OD1 ASN A 57 -9.595 2.660 9.074 1.00 1.49 O ATOM 926 ND2 ASN A 57 -9.639 2.294 11.279 1.00 1.13 N ATOM 0 H ASN A 57 -12.896 1.766 9.665 1.00 0.36 H new ATOM 0 HA ASN A 57 -10.904 1.014 7.716 1.00 0.37 H new ATOM 0 HB2 ASN A 57 -11.282 0.439 10.675 1.00 0.50 H new ATOM 0 HB3 ASN A 57 -9.925 -0.164 9.745 1.00 0.50 H new ATOM 0 HD21 ASN A 57 -9.138 3.161 11.474 1.00 1.13 H new ATOM 0 HD22 ASN A 57 -9.924 1.686 12.046 1.00 1.13 H new ATOM 933 N VAL A 58 -11.807 -1.188 6.997 1.00 0.28 N ATOM 934 CA VAL A 58 -12.279 -2.500 6.582 1.00 0.27 C ATOM 935 C VAL A 58 -11.104 -3.437 6.293 1.00 0.25 C ATOM 936 O VAL A 58 -10.132 -3.065 5.630 1.00 0.25 O ATOM 937 CB VAL A 58 -13.214 -2.416 5.350 1.00 0.28 C ATOM 938 CG1 VAL A 58 -14.276 -1.343 5.547 1.00 0.61 C ATOM 939 CG2 VAL A 58 -12.433 -2.185 4.067 1.00 0.57 C ATOM 0 H VAL A 58 -11.331 -0.656 6.268 1.00 0.28 H new ATOM 0 HA VAL A 58 -12.858 -2.908 7.411 1.00 0.27 H new ATOM 0 HB VAL A 58 -13.717 -3.378 5.253 1.00 0.28 H new ATOM 0 HG11 VAL A 58 -14.920 -1.303 4.669 1.00 0.61 H new ATOM 0 HG12 VAL A 58 -14.875 -1.581 6.426 1.00 0.61 H new ATOM 0 HG13 VAL A 58 -13.794 -0.376 5.688 1.00 0.61 H new ATOM 0 HG21 VAL A 58 -13.123 -2.132 3.225 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -11.879 -1.249 4.142 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -11.735 -3.008 3.913 1.00 0.57 H new ATOM 949 N LEU A 59 -11.187 -4.642 6.830 1.00 0.28 N ATOM 950 CA LEU A 59 -10.144 -5.638 6.669 1.00 0.26 C ATOM 951 C LEU A 59 -10.530 -6.591 5.540 1.00 0.26 C ATOM 952 O LEU A 59 -11.687 -7.005 5.438 1.00 0.30 O ATOM 953 CB LEU A 59 -9.955 -6.375 8.011 1.00 0.30 C ATOM 954 CG LEU A 59 -8.749 -7.316 8.148 1.00 0.34 C ATOM 955 CD1 LEU A 59 -9.149 -8.749 7.879 1.00 0.53 C ATOM 956 CD2 LEU A 59 -7.614 -6.909 7.229 1.00 0.67 C ATOM 0 H LEU A 59 -11.980 -4.957 7.390 1.00 0.28 H new ATOM 0 HA LEU A 59 -9.195 -5.174 6.399 1.00 0.26 H new ATOM 0 HB2 LEU A 59 -9.885 -5.624 8.798 1.00 0.30 H new ATOM 0 HB3 LEU A 59 -10.857 -6.956 8.204 1.00 0.30 H new ATOM 0 HG LEU A 59 -8.395 -7.238 9.176 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -8.278 -9.396 7.982 1.00 0.53 H new ATOM 0 HD12 LEU A 59 -9.914 -9.054 8.594 1.00 0.53 H new ATOM 0 HD13 LEU A 59 -9.545 -8.832 6.867 1.00 0.53 H new ATOM 0 HD21 LEU A 59 -6.779 -7.598 7.355 1.00 0.67 H new ATOM 0 HD22 LEU A 59 -7.956 -6.937 6.194 1.00 0.67 H new ATOM 0 HD23 LEU A 59 -7.290 -5.898 7.476 1.00 0.67 H new ATOM 968 N THR A 60 -9.571 -6.909 4.680 1.00 0.22 N ATOM 969 CA THR A 60 -9.836 -7.744 3.517 1.00 0.22 C ATOM 970 C THR A 60 -10.176 -9.168 3.926 1.00 0.24 C ATOM 971 O THR A 60 -9.765 -9.647 4.983 1.00 0.33 O ATOM 972 CB THR A 60 -8.641 -7.759 2.545 1.00 0.21 C ATOM 973 OG1 THR A 60 -7.444 -8.137 3.233 1.00 0.25 O ATOM 974 CG2 THR A 60 -8.451 -6.397 1.898 1.00 0.24 C ATOM 0 H THR A 60 -8.602 -6.601 4.766 1.00 0.22 H new ATOM 0 HA THR A 60 -10.694 -7.308 3.006 1.00 0.22 H new ATOM 0 HB THR A 60 -8.852 -8.490 1.764 1.00 0.21 H new ATOM 0 HG1 THR A 60 -6.687 -8.113 2.611 1.00 0.25 H new ATOM 0 HG21 THR A 60 -7.601 -6.433 1.216 1.00 0.24 H new ATOM 0 HG22 THR A 60 -9.350 -6.129 1.343 1.00 0.24 H new ATOM 0 HG23 THR A 60 -8.265 -5.650 2.670 1.00 0.24 H new ATOM 982 N THR A 61 -10.926 -9.839 3.079 1.00 0.27 N ATOM 983 CA THR A 61 -11.376 -11.184 3.353 1.00 0.33 C ATOM 984 C THR A 61 -10.390 -12.208 2.808 1.00 0.33 C ATOM 985 O THR A 61 -10.354 -13.356 3.245 1.00 0.43 O ATOM 986 CB THR A 61 -12.762 -11.398 2.738 1.00 0.43 C ATOM 987 OG1 THR A 61 -12.776 -10.891 1.396 1.00 0.48 O ATOM 988 CG2 THR A 61 -13.820 -10.685 3.562 1.00 0.46 C ATOM 0 H THR A 61 -11.240 -9.467 2.183 1.00 0.27 H new ATOM 0 HA THR A 61 -11.438 -11.319 4.433 1.00 0.33 H new ATOM 0 HB THR A 61 -12.982 -12.465 2.728 1.00 0.43 H new ATOM 0 HG1 THR A 61 -13.663 -11.030 1.003 1.00 0.48 H new ATOM 0 HG21 THR A 61 -14.800 -10.846 3.113 1.00 0.46 H new ATOM 0 HG22 THR A 61 -13.817 -11.080 4.578 1.00 0.46 H new ATOM 0 HG23 THR A 61 -13.603 -9.617 3.587 1.00 0.46 H new ATOM 996 N SER A 62 -9.579 -11.774 1.859 1.00 0.28 N ATOM 997 CA SER A 62 -8.563 -12.627 1.270 1.00 0.31 C ATOM 998 C SER A 62 -7.197 -11.953 1.354 1.00 0.26 C ATOM 999 O SER A 62 -7.108 -10.738 1.556 1.00 0.24 O ATOM 1000 CB SER A 62 -8.918 -12.944 -0.184 1.00 0.41 C ATOM 1001 OG SER A 62 -10.211 -13.522 -0.272 1.00 1.09 O ATOM 0 H SER A 62 -9.606 -10.828 1.478 1.00 0.28 H new ATOM 0 HA SER A 62 -8.521 -13.563 1.827 1.00 0.31 H new ATOM 0 HB2 SER A 62 -8.881 -12.032 -0.779 1.00 0.41 H new ATOM 0 HB3 SER A 62 -8.180 -13.628 -0.603 1.00 0.41 H new ATOM 0 HG SER A 62 -10.420 -13.716 -1.210 1.00 1.09 H new ATOM 1007 N GLU A 63 -6.144 -12.746 1.236 1.00 0.26 N ATOM 1008 CA GLU A 63 -4.788 -12.224 1.281 1.00 0.23 C ATOM 1009 C GLU A 63 -4.397 -11.676 -0.081 1.00 0.24 C ATOM 1010 O GLU A 63 -4.724 -12.259 -1.115 1.00 0.35 O ATOM 1011 CB GLU A 63 -3.773 -13.300 1.708 1.00 0.25 C ATOM 1012 CG GLU A 63 -4.210 -14.161 2.889 1.00 0.34 C ATOM 1013 CD GLU A 63 -5.183 -15.254 2.496 1.00 1.20 C ATOM 1014 OE1 GLU A 63 -4.731 -16.334 2.065 1.00 1.44 O ATOM 1015 OE2 GLU A 63 -6.404 -15.048 2.636 1.00 2.06 O ATOM 0 H GLU A 63 -6.203 -13.756 1.108 1.00 0.26 H new ATOM 0 HA GLU A 63 -4.770 -11.427 2.024 1.00 0.23 H new ATOM 0 HB2 GLU A 63 -3.575 -13.951 0.856 1.00 0.25 H new ATOM 0 HB3 GLU A 63 -2.832 -12.811 1.961 1.00 0.25 H new ATOM 0 HG2 GLU A 63 -3.330 -14.613 3.348 1.00 0.34 H new ATOM 0 HG3 GLU A 63 -4.672 -13.525 3.644 1.00 0.34 H new ATOM 1022 N PHE A 64 -3.713 -10.551 -0.076 1.00 0.17 N ATOM 1023 CA PHE A 64 -3.219 -9.953 -1.298 1.00 0.17 C ATOM 1024 C PHE A 64 -1.706 -10.024 -1.323 1.00 0.16 C ATOM 1025 O PHE A 64 -1.071 -10.263 -0.294 1.00 0.15 O ATOM 1026 CB PHE A 64 -3.680 -8.504 -1.412 1.00 0.19 C ATOM 1027 CG PHE A 64 -5.140 -8.359 -1.740 1.00 0.21 C ATOM 1028 CD1 PHE A 64 -6.098 -8.480 -0.747 1.00 0.23 C ATOM 1029 CD2 PHE A 64 -5.555 -8.104 -3.038 1.00 0.26 C ATOM 1030 CE1 PHE A 64 -7.441 -8.349 -1.042 1.00 0.26 C ATOM 1031 CE2 PHE A 64 -6.898 -7.973 -3.337 1.00 0.29 C ATOM 1032 CZ PHE A 64 -7.837 -8.085 -2.353 1.00 0.28 C ATOM 0 H PHE A 64 -3.485 -10.028 0.770 1.00 0.17 H new ATOM 0 HA PHE A 64 -3.620 -10.506 -2.148 1.00 0.17 H new ATOM 0 HB2 PHE A 64 -3.475 -7.992 -0.472 1.00 0.19 H new ATOM 0 HB3 PHE A 64 -3.092 -8.004 -2.182 1.00 0.19 H new ATOM 0 HD1 PHE A 64 -5.791 -8.679 0.269 1.00 0.23 H new ATOM 0 HD2 PHE A 64 -4.821 -8.007 -3.824 1.00 0.26 H new ATOM 0 HE1 PHE A 64 -8.181 -8.450 -0.262 1.00 0.26 H new ATOM 0 HE2 PHE A 64 -7.206 -7.781 -4.354 1.00 0.29 H new ATOM 0 HZ PHE A 64 -8.885 -7.969 -2.589 1.00 0.28 H new ATOM 1042 N TYR A 65 -1.132 -9.806 -2.490 1.00 0.17 N ATOM 1043 CA TYR A 65 0.301 -9.940 -2.654 1.00 0.16 C ATOM 1044 C TYR A 65 0.982 -8.632 -2.316 1.00 0.16 C ATOM 1045 O TYR A 65 0.959 -7.684 -3.090 1.00 0.18 O ATOM 1046 CB TYR A 65 0.631 -10.397 -4.074 1.00 0.20 C ATOM 1047 CG TYR A 65 0.026 -11.744 -4.389 1.00 0.30 C ATOM 1048 CD1 TYR A 65 0.678 -12.916 -4.032 1.00 0.38 C ATOM 1049 CD2 TYR A 65 -1.205 -11.845 -5.020 1.00 0.40 C ATOM 1050 CE1 TYR A 65 0.120 -14.152 -4.296 1.00 0.49 C ATOM 1051 CE2 TYR A 65 -1.772 -13.076 -5.284 1.00 0.51 C ATOM 1052 CZ TYR A 65 -1.103 -14.226 -4.922 1.00 0.54 C ATOM 1053 OH TYR A 65 -1.665 -15.456 -5.182 1.00 0.66 O ATOM 0 H TYR A 65 -1.634 -9.536 -3.336 1.00 0.17 H new ATOM 0 HA TYR A 65 0.675 -10.701 -1.969 1.00 0.16 H new ATOM 0 HB2 TYR A 65 0.264 -9.659 -4.787 1.00 0.20 H new ATOM 0 HB3 TYR A 65 1.713 -10.448 -4.196 1.00 0.20 H new ATOM 0 HD1 TYR A 65 1.638 -12.861 -3.540 1.00 0.38 H new ATOM 0 HD2 TYR A 65 -1.729 -10.946 -5.310 1.00 0.40 H new ATOM 0 HE1 TYR A 65 0.641 -15.055 -4.013 1.00 0.49 H new ATOM 0 HE2 TYR A 65 -2.734 -13.138 -5.771 1.00 0.51 H new ATOM 0 HH TYR A 65 -2.529 -15.333 -5.627 1.00 0.66 H new ATOM 1063 N LEU A 66 1.569 -8.584 -1.143 1.00 0.15 N ATOM 1064 CA LEU A 66 2.122 -7.356 -0.620 1.00 0.16 C ATOM 1065 C LEU A 66 3.633 -7.339 -0.769 1.00 0.16 C ATOM 1066 O LEU A 66 4.288 -8.386 -0.734 1.00 0.20 O ATOM 1067 CB LEU A 66 1.738 -7.206 0.850 1.00 0.18 C ATOM 1068 CG LEU A 66 0.242 -7.334 1.135 1.00 0.19 C ATOM 1069 CD1 LEU A 66 -0.019 -7.278 2.630 1.00 0.22 C ATOM 1070 CD2 LEU A 66 -0.540 -6.250 0.409 1.00 0.19 C ATOM 0 H LEU A 66 1.677 -9.390 -0.527 1.00 0.15 H new ATOM 0 HA LEU A 66 1.714 -6.520 -1.188 1.00 0.16 H new ATOM 0 HB2 LEU A 66 2.270 -7.960 1.429 1.00 0.18 H new ATOM 0 HB3 LEU A 66 2.079 -6.233 1.203 1.00 0.18 H new ATOM 0 HG LEU A 66 -0.098 -8.301 0.763 1.00 0.19 H new ATOM 0 HD11 LEU A 66 -1.089 -7.370 2.816 1.00 0.22 H new ATOM 0 HD12 LEU A 66 0.507 -8.096 3.122 1.00 0.22 H new ATOM 0 HD13 LEU A 66 0.337 -6.327 3.026 1.00 0.22 H new ATOM 0 HD21 LEU A 66 -1.602 -6.360 0.626 1.00 0.19 H new ATOM 0 HD22 LEU A 66 -0.201 -5.270 0.745 1.00 0.19 H new ATOM 0 HD23 LEU A 66 -0.378 -6.342 -0.665 1.00 0.19 H new ATOM 1082 N SER A 67 4.175 -6.155 -0.961 1.00 0.17 N ATOM 1083 CA SER A 67 5.607 -5.969 -1.003 1.00 0.18 C ATOM 1084 C SER A 67 5.982 -4.840 -0.063 1.00 0.22 C ATOM 1085 O SER A 67 5.667 -3.680 -0.317 1.00 0.26 O ATOM 1086 CB SER A 67 6.043 -5.647 -2.431 1.00 0.22 C ATOM 1087 OG SER A 67 5.515 -6.599 -3.341 1.00 0.29 O ATOM 0 H SER A 67 3.637 -5.299 -1.092 1.00 0.17 H new ATOM 0 HA SER A 67 6.113 -6.881 -0.687 1.00 0.18 H new ATOM 0 HB2 SER A 67 5.704 -4.648 -2.704 1.00 0.22 H new ATOM 0 HB3 SER A 67 7.131 -5.642 -2.492 1.00 0.22 H new ATOM 0 HG SER A 67 6.141 -6.723 -4.085 1.00 0.29 H new ATOM 1093 N ASP A 68 6.632 -5.179 1.033 1.00 0.26 N ATOM 1094 CA ASP A 68 6.969 -4.187 2.034 1.00 0.34 C ATOM 1095 C ASP A 68 8.414 -3.764 1.905 1.00 0.29 C ATOM 1096 O ASP A 68 9.311 -4.599 1.811 1.00 0.34 O ATOM 1097 CB ASP A 68 6.717 -4.713 3.442 1.00 0.46 C ATOM 1098 CG ASP A 68 7.033 -3.671 4.497 1.00 1.12 C ATOM 1099 OD1 ASP A 68 6.274 -2.684 4.603 1.00 1.12 O ATOM 1100 OD2 ASP A 68 8.033 -3.840 5.226 1.00 2.01 O ATOM 0 H ASP A 68 6.936 -6.128 1.252 1.00 0.26 H new ATOM 0 HA ASP A 68 6.326 -3.323 1.864 1.00 0.34 H new ATOM 0 HB2 ASP A 68 5.675 -5.020 3.534 1.00 0.46 H new ATOM 0 HB3 ASP A 68 7.327 -5.600 3.613 1.00 0.46 H new ATOM 1105 N CYS A 69 8.635 -2.470 1.892 1.00 0.28 N ATOM 1106 CA CYS A 69 9.973 -1.942 1.803 1.00 0.26 C ATOM 1107 C CYS A 69 10.375 -1.341 3.132 1.00 0.30 C ATOM 1108 O CYS A 69 9.766 -0.377 3.591 1.00 0.35 O ATOM 1109 CB CYS A 69 10.021 -0.879 0.724 1.00 0.25 C ATOM 1110 SG CYS A 69 9.065 -1.306 -0.759 1.00 0.62 S ATOM 0 H CYS A 69 7.902 -1.763 1.942 1.00 0.28 H new ATOM 0 HA CYS A 69 10.666 -2.746 1.553 1.00 0.26 H new ATOM 0 HB2 CYS A 69 9.643 0.059 1.132 1.00 0.25 H new ATOM 0 HB3 CYS A 69 11.059 -0.708 0.440 1.00 0.25 H new ATOM 1115 N ASN A 70 11.410 -1.894 3.729 1.00 0.35 N ATOM 1116 CA ASN A 70 11.864 -1.456 5.036 1.00 0.42 C ATOM 1117 C ASN A 70 13.345 -1.143 5.017 1.00 0.44 C ATOM 1118 O ASN A 70 14.146 -1.879 4.438 1.00 0.49 O ATOM 1119 CB ASN A 70 11.546 -2.515 6.099 1.00 0.51 C ATOM 1120 CG ASN A 70 11.767 -3.937 5.611 1.00 0.97 C ATOM 1121 OD1 ASN A 70 12.872 -4.474 5.688 1.00 1.93 O ATOM 1122 ND2 ASN A 70 10.705 -4.565 5.121 1.00 1.08 N ATOM 0 H ASN A 70 11.958 -2.655 3.327 1.00 0.35 H new ATOM 0 HA ASN A 70 11.330 -0.541 5.292 1.00 0.42 H new ATOM 0 HB2 ASN A 70 12.168 -2.338 6.977 1.00 0.51 H new ATOM 0 HB3 ASN A 70 10.509 -2.403 6.415 1.00 0.51 H new ATOM 0 HD21 ASN A 70 10.788 -5.527 4.792 1.00 1.08 H new ATOM 0 HD22 ASN A 70 9.806 -4.086 5.074 1.00 1.08 H new ATOM 1129 N VAL A 71 13.679 -0.020 5.630 1.00 0.47 N ATOM 1130 CA VAL A 71 15.051 0.436 5.748 1.00 0.51 C ATOM 1131 C VAL A 71 15.920 -0.617 6.431 1.00 0.56 C ATOM 1132 O VAL A 71 15.520 -1.221 7.430 1.00 0.60 O ATOM 1133 CB VAL A 71 15.103 1.758 6.539 1.00 0.54 C ATOM 1134 CG1 VAL A 71 16.534 2.174 6.840 1.00 0.90 C ATOM 1135 CG2 VAL A 71 14.391 2.861 5.773 1.00 0.82 C ATOM 0 H VAL A 71 12.999 0.605 6.063 1.00 0.47 H new ATOM 0 HA VAL A 71 15.442 0.603 4.744 1.00 0.51 H new ATOM 0 HB VAL A 71 14.594 1.594 7.489 1.00 0.54 H new ATOM 0 HG11 VAL A 71 16.531 3.110 7.399 1.00 0.90 H new ATOM 0 HG12 VAL A 71 17.021 1.399 7.432 1.00 0.90 H new ATOM 0 HG13 VAL A 71 17.077 2.311 5.905 1.00 0.90 H new ATOM 0 HG21 VAL A 71 14.436 3.788 6.344 1.00 0.82 H new ATOM 0 HG22 VAL A 71 14.876 3.005 4.808 1.00 0.82 H new ATOM 0 HG23 VAL A 71 13.349 2.581 5.617 1.00 0.82 H new ATOM 1145 N THR A 72 17.095 -0.843 5.870 1.00 0.58 N ATOM 1146 CA THR A 72 18.004 -1.857 6.371 1.00 0.64 C ATOM 1147 C THR A 72 18.993 -1.277 7.376 1.00 0.75 C ATOM 1148 O THR A 72 18.675 -1.098 8.550 1.00 0.93 O ATOM 1149 CB THR A 72 18.780 -2.518 5.214 1.00 0.71 C ATOM 1150 OG1 THR A 72 19.267 -1.512 4.307 1.00 0.78 O ATOM 1151 CG2 THR A 72 17.903 -3.495 4.461 1.00 0.78 C ATOM 0 H THR A 72 17.444 -0.332 5.059 1.00 0.58 H new ATOM 0 HA THR A 72 17.397 -2.609 6.875 1.00 0.64 H new ATOM 0 HB THR A 72 19.622 -3.063 5.641 1.00 0.71 H new ATOM 0 HG1 THR A 72 19.760 -1.941 3.577 1.00 0.78 H new ATOM 0 HG21 THR A 72 18.475 -3.947 3.650 1.00 0.78 H new ATOM 0 HG22 THR A 72 17.559 -4.274 5.141 1.00 0.78 H new ATOM 0 HG23 THR A 72 17.043 -2.968 4.048 1.00 0.78 H new ATOM 1159 N SER A 73 20.185 -0.975 6.898 1.00 0.86 N ATOM 1160 CA SER A 73 21.230 -0.412 7.728 1.00 1.02 C ATOM 1161 C SER A 73 21.394 1.070 7.421 1.00 0.90 C ATOM 1162 O SER A 73 21.240 1.925 8.295 1.00 0.99 O ATOM 1163 CB SER A 73 22.535 -1.164 7.471 1.00 1.33 C ATOM 1164 OG SER A 73 22.767 -1.299 6.076 1.00 1.87 O ATOM 0 H SER A 73 20.455 -1.113 5.924 1.00 0.86 H new ATOM 0 HA SER A 73 20.962 -0.515 8.779 1.00 1.02 H new ATOM 0 HB2 SER A 73 23.366 -0.631 7.933 1.00 1.33 H new ATOM 0 HB3 SER A 73 22.491 -2.149 7.935 1.00 1.33 H new ATOM 0 HG SER A 73 23.607 -1.781 5.929 1.00 1.87 H new ATOM 1170 N ARG A 74 21.696 1.362 6.164 1.00 0.81 N ATOM 1171 CA ARG A 74 21.826 2.730 5.701 1.00 0.76 C ATOM 1172 C ARG A 74 20.475 3.422 5.646 1.00 0.68 C ATOM 1173 O ARG A 74 19.441 2.779 5.438 1.00 0.63 O ATOM 1174 CB ARG A 74 22.469 2.777 4.320 1.00 0.88 C ATOM 1175 CG ARG A 74 23.979 2.685 4.343 1.00 1.40 C ATOM 1176 CD ARG A 74 24.545 2.797 2.940 1.00 1.55 C ATOM 1177 NE ARG A 74 24.147 4.050 2.301 1.00 2.35 N ATOM 1178 CZ ARG A 74 24.101 4.243 0.986 1.00 2.74 C ATOM 1179 NH1 ARG A 74 24.408 3.261 0.147 1.00 2.41 N ATOM 1180 NH2 ARG A 74 23.734 5.428 0.516 1.00 3.76 N ATOM 0 H ARG A 74 21.856 0.659 5.442 1.00 0.81 H new ATOM 0 HA ARG A 74 22.464 3.253 6.414 1.00 0.76 H new ATOM 0 HB2 ARG A 74 22.074 1.958 3.718 1.00 0.88 H new ATOM 0 HB3 ARG A 74 22.179 3.704 3.826 1.00 0.88 H new ATOM 0 HG2 ARG A 74 24.387 3.478 4.969 1.00 1.40 H new ATOM 0 HG3 ARG A 74 24.284 1.738 4.789 1.00 1.40 H new ATOM 0 HD2 ARG A 74 25.633 2.737 2.979 1.00 1.55 H new ATOM 0 HD3 ARG A 74 24.201 1.955 2.339 1.00 1.55 H new ATOM 0 HE ARG A 74 23.887 4.830 2.905 1.00 2.35 H new ATOM 0 HH11 ARG A 74 24.682 2.348 0.509 1.00 2.41 H new ATOM 0 HH12 ARG A 74 24.369 3.420 -0.860 1.00 2.41 H new ATOM 0 HH21 ARG A 74 23.491 6.180 1.161 1.00 3.76 H new ATOM 0 HH22 ARG A 74 23.695 5.588 -0.491 1.00 3.76 H new ATOM 1194 N PRO A 75 20.474 4.745 5.824 1.00 0.74 N ATOM 1195 CA PRO A 75 19.258 5.537 5.747 1.00 0.74 C ATOM 1196 C PRO A 75 18.750 5.623 4.313 1.00 0.65 C ATOM 1197 O PRO A 75 19.514 5.912 3.388 1.00 0.70 O ATOM 1198 CB PRO A 75 19.678 6.911 6.275 1.00 0.92 C ATOM 1199 CG PRO A 75 21.157 6.980 6.083 1.00 1.05 C ATOM 1200 CD PRO A 75 21.668 5.563 6.097 1.00 0.92 C ATOM 0 HA PRO A 75 18.437 5.105 6.320 1.00 0.74 H new ATOM 0 HB2 PRO A 75 19.174 7.710 5.731 1.00 0.92 H new ATOM 0 HB3 PRO A 75 19.413 7.025 7.326 1.00 0.92 H new ATOM 0 HG2 PRO A 75 21.401 7.469 5.140 1.00 1.05 H new ATOM 0 HG3 PRO A 75 21.622 7.566 6.876 1.00 1.05 H new ATOM 0 HD2 PRO A 75 22.437 5.410 5.340 1.00 0.92 H new ATOM 0 HD3 PRO A 75 22.113 5.310 7.059 1.00 0.92 H new ATOM 1208 N CYS A 76 17.465 5.339 4.142 1.00 0.57 N ATOM 1209 CA CYS A 76 16.822 5.336 2.832 1.00 0.52 C ATOM 1210 C CYS A 76 17.378 4.210 1.949 1.00 0.51 C ATOM 1211 O CYS A 76 17.293 4.263 0.723 1.00 0.55 O ATOM 1212 CB CYS A 76 16.977 6.704 2.148 1.00 0.58 C ATOM 1213 SG CYS A 76 15.948 6.934 0.658 1.00 1.55 S ATOM 0 H CYS A 76 16.836 5.103 4.910 1.00 0.57 H new ATOM 0 HA CYS A 76 15.758 5.149 2.976 1.00 0.52 H new ATOM 0 HB2 CYS A 76 16.730 7.485 2.867 1.00 0.58 H new ATOM 0 HB3 CYS A 76 18.023 6.842 1.875 1.00 0.58 H new ATOM 1218 N LYS A 77 17.951 3.189 2.577 1.00 0.50 N ATOM 1219 CA LYS A 77 18.349 1.986 1.866 1.00 0.50 C ATOM 1220 C LYS A 77 17.431 0.845 2.298 1.00 0.47 C ATOM 1221 O LYS A 77 17.404 0.484 3.476 1.00 0.51 O ATOM 1222 CB LYS A 77 19.804 1.649 2.186 1.00 0.60 C ATOM 1223 CG LYS A 77 20.567 1.077 1.012 1.00 1.30 C ATOM 1224 CD LYS A 77 20.789 2.128 -0.068 1.00 1.57 C ATOM 1225 CE LYS A 77 21.568 1.571 -1.247 1.00 2.24 C ATOM 1226 NZ LYS A 77 20.800 0.532 -1.981 1.00 2.60 N ATOM 0 H LYS A 77 18.149 3.173 3.577 1.00 0.50 H new ATOM 0 HA LYS A 77 18.264 2.139 0.790 1.00 0.50 H new ATOM 0 HB2 LYS A 77 20.309 2.551 2.532 1.00 0.60 H new ATOM 0 HB3 LYS A 77 19.830 0.934 3.008 1.00 0.60 H new ATOM 0 HG2 LYS A 77 21.529 0.693 1.353 1.00 1.30 H new ATOM 0 HG3 LYS A 77 20.017 0.234 0.594 1.00 1.30 H new ATOM 0 HD2 LYS A 77 19.826 2.503 -0.414 1.00 1.57 H new ATOM 0 HD3 LYS A 77 21.328 2.976 0.355 1.00 1.57 H new ATOM 0 HE2 LYS A 77 21.823 2.382 -1.929 1.00 2.24 H new ATOM 0 HE3 LYS A 77 22.507 1.145 -0.893 1.00 2.24 H new ATOM 0 HZ1 LYS A 77 21.341 -0.356 -1.992 1.00 2.60 H new ATOM 0 HZ2 LYS A 77 19.887 0.376 -1.508 1.00 2.60 H new ATOM 0 HZ3 LYS A 77 20.634 0.848 -2.958 1.00 2.60 H new ATOM 1240 N TYR A 78 16.693 0.267 1.360 1.00 0.45 N ATOM 1241 CA TYR A 78 15.582 -0.611 1.726 1.00 0.47 C ATOM 1242 C TYR A 78 15.806 -2.058 1.337 1.00 0.52 C ATOM 1243 O TYR A 78 16.558 -2.371 0.413 1.00 0.59 O ATOM 1244 CB TYR A 78 14.279 -0.121 1.091 1.00 0.48 C ATOM 1245 CG TYR A 78 14.075 1.356 1.244 1.00 0.65 C ATOM 1246 CD1 TYR A 78 13.492 1.869 2.390 1.00 0.91 C ATOM 1247 CD2 TYR A 78 14.456 2.239 0.243 1.00 0.74 C ATOM 1248 CE1 TYR A 78 13.293 3.219 2.541 1.00 1.15 C ATOM 1249 CE2 TYR A 78 14.259 3.593 0.388 1.00 0.99 C ATOM 1250 CZ TYR A 78 13.721 4.083 1.511 1.00 1.17 C ATOM 1251 OH TYR A 78 13.490 5.413 1.695 1.00 1.44 O ATOM 0 H TYR A 78 16.836 0.385 0.357 1.00 0.45 H new ATOM 0 HA TYR A 78 15.516 -0.570 2.813 1.00 0.47 H new ATOM 0 HB2 TYR A 78 14.279 -0.375 0.031 1.00 0.48 H new ATOM 0 HB3 TYR A 78 13.439 -0.648 1.544 1.00 0.48 H new ATOM 0 HD1 TYR A 78 13.189 1.196 3.178 1.00 0.91 H new ATOM 0 HD2 TYR A 78 14.912 1.859 -0.659 1.00 0.74 H new ATOM 0 HE1 TYR A 78 12.819 3.611 3.429 1.00 1.15 H new ATOM 0 HE2 TYR A 78 14.540 4.265 -0.410 1.00 0.99 H new ATOM 0 HH TYR A 78 14.123 5.933 1.156 1.00 1.44 H new ATOM 1261 N LYS A 79 15.136 -2.928 2.076 1.00 0.53 N ATOM 1262 CA LYS A 79 15.061 -4.342 1.768 1.00 0.58 C ATOM 1263 C LYS A 79 13.617 -4.698 1.435 1.00 0.46 C ATOM 1264 O LYS A 79 12.701 -4.356 2.185 1.00 0.47 O ATOM 1265 CB LYS A 79 15.567 -5.158 2.962 1.00 0.78 C ATOM 1266 CG LYS A 79 15.225 -6.636 2.918 1.00 1.39 C ATOM 1267 CD LYS A 79 16.015 -7.425 3.957 1.00 2.02 C ATOM 1268 CE LYS A 79 15.939 -6.794 5.345 1.00 2.63 C ATOM 1269 NZ LYS A 79 14.542 -6.686 5.850 1.00 3.52 N ATOM 0 H LYS A 79 14.623 -2.665 2.918 1.00 0.53 H new ATOM 0 HA LYS A 79 15.689 -4.575 0.908 1.00 0.58 H new ATOM 0 HB2 LYS A 79 16.650 -5.052 3.022 1.00 0.78 H new ATOM 0 HB3 LYS A 79 15.154 -4.732 3.876 1.00 0.78 H new ATOM 0 HG2 LYS A 79 14.157 -6.769 3.094 1.00 1.39 H new ATOM 0 HG3 LYS A 79 15.436 -7.030 1.924 1.00 1.39 H new ATOM 0 HD2 LYS A 79 15.633 -8.445 4.003 1.00 2.02 H new ATOM 0 HD3 LYS A 79 17.058 -7.489 3.646 1.00 2.02 H new ATOM 0 HE2 LYS A 79 16.529 -7.388 6.043 1.00 2.63 H new ATOM 0 HE3 LYS A 79 16.388 -5.801 5.314 1.00 2.63 H new ATOM 0 HZ1 LYS A 79 14.532 -6.835 6.879 1.00 3.52 H new ATOM 0 HZ2 LYS A 79 14.167 -5.741 5.633 1.00 3.52 H new ATOM 0 HZ3 LYS A 79 13.950 -7.407 5.391 1.00 3.52 H new ATOM 1283 N LEU A 80 13.420 -5.357 0.306 1.00 0.45 N ATOM 1284 CA LEU A 80 12.080 -5.683 -0.160 1.00 0.41 C ATOM 1285 C LEU A 80 11.581 -6.946 0.534 1.00 0.42 C ATOM 1286 O LEU A 80 12.363 -7.848 0.846 1.00 0.49 O ATOM 1287 CB LEU A 80 12.091 -5.847 -1.688 1.00 0.50 C ATOM 1288 CG LEU A 80 10.726 -5.817 -2.395 1.00 0.58 C ATOM 1289 CD1 LEU A 80 10.075 -7.185 -2.414 1.00 1.34 C ATOM 1290 CD2 LEU A 80 9.797 -4.812 -1.739 1.00 0.74 C ATOM 0 H LEU A 80 14.170 -5.678 -0.306 1.00 0.45 H new ATOM 0 HA LEU A 80 11.395 -4.872 0.090 1.00 0.41 H new ATOM 0 HB2 LEU A 80 12.711 -5.056 -2.111 1.00 0.50 H new ATOM 0 HB3 LEU A 80 12.576 -6.794 -1.925 1.00 0.50 H new ATOM 0 HG LEU A 80 10.906 -5.512 -3.426 1.00 0.58 H new ATOM 0 HD11 LEU A 80 9.113 -7.123 -2.922 1.00 1.34 H new ATOM 0 HD12 LEU A 80 10.720 -7.887 -2.943 1.00 1.34 H new ATOM 0 HD13 LEU A 80 9.924 -7.530 -1.391 1.00 1.34 H new ATOM 0 HD21 LEU A 80 8.838 -4.810 -2.258 1.00 0.74 H new ATOM 0 HD22 LEU A 80 9.644 -5.085 -0.695 1.00 0.74 H new ATOM 0 HD23 LEU A 80 10.240 -3.818 -1.793 1.00 0.74 H new ATOM 1302 N LYS A 81 10.285 -6.996 0.790 1.00 0.40 N ATOM 1303 CA LYS A 81 9.689 -8.119 1.492 1.00 0.44 C ATOM 1304 C LYS A 81 8.422 -8.584 0.787 1.00 0.38 C ATOM 1305 O LYS A 81 7.399 -7.897 0.809 1.00 0.36 O ATOM 1306 CB LYS A 81 9.368 -7.740 2.940 1.00 0.49 C ATOM 1307 CG LYS A 81 8.871 -8.913 3.771 1.00 0.60 C ATOM 1308 CD LYS A 81 8.668 -8.530 5.227 1.00 0.71 C ATOM 1309 CE LYS A 81 7.620 -7.442 5.388 1.00 1.18 C ATOM 1310 NZ LYS A 81 7.399 -7.098 6.816 1.00 1.87 N ATOM 0 H LYS A 81 9.623 -6.268 0.521 1.00 0.40 H new ATOM 0 HA LYS A 81 10.410 -8.936 1.493 1.00 0.44 H new ATOM 0 HB2 LYS A 81 10.262 -7.325 3.407 1.00 0.49 H new ATOM 0 HB3 LYS A 81 8.612 -6.954 2.944 1.00 0.49 H new ATOM 0 HG2 LYS A 81 7.931 -9.279 3.357 1.00 0.60 H new ATOM 0 HG3 LYS A 81 9.587 -9.732 3.708 1.00 0.60 H new ATOM 0 HD2 LYS A 81 8.367 -9.410 5.795 1.00 0.71 H new ATOM 0 HD3 LYS A 81 9.614 -8.188 5.647 1.00 0.71 H new ATOM 0 HE2 LYS A 81 7.934 -6.551 4.844 1.00 1.18 H new ATOM 0 HE3 LYS A 81 6.681 -7.773 4.944 1.00 1.18 H new ATOM 0 HZ1 LYS A 81 6.677 -6.352 6.886 1.00 1.87 H new ATOM 0 HZ2 LYS A 81 7.076 -7.942 7.330 1.00 1.87 H new ATOM 0 HZ3 LYS A 81 8.289 -6.758 7.233 1.00 1.87 H new ATOM 1324 N LYS A 82 8.500 -9.745 0.155 1.00 0.40 N ATOM 1325 CA LYS A 82 7.365 -10.316 -0.542 1.00 0.37 C ATOM 1326 C LYS A 82 6.553 -11.192 0.405 1.00 0.36 C ATOM 1327 O LYS A 82 7.054 -12.185 0.935 1.00 0.46 O ATOM 1328 CB LYS A 82 7.851 -11.132 -1.737 1.00 0.47 C ATOM 1329 CG LYS A 82 8.780 -10.352 -2.646 1.00 0.54 C ATOM 1330 CD LYS A 82 9.293 -11.203 -3.789 1.00 0.76 C ATOM 1331 CE LYS A 82 10.275 -10.426 -4.652 1.00 0.90 C ATOM 1332 NZ LYS A 82 10.741 -11.207 -5.827 1.00 1.10 N ATOM 0 H LYS A 82 9.347 -10.312 0.112 1.00 0.40 H new ATOM 0 HA LYS A 82 6.724 -9.511 -0.902 1.00 0.37 H new ATOM 0 HB2 LYS A 82 8.366 -12.022 -1.377 1.00 0.47 H new ATOM 0 HB3 LYS A 82 6.990 -11.473 -2.312 1.00 0.47 H new ATOM 0 HG2 LYS A 82 8.254 -9.485 -3.046 1.00 0.54 H new ATOM 0 HG3 LYS A 82 9.623 -9.974 -2.067 1.00 0.54 H new ATOM 0 HD2 LYS A 82 9.779 -12.095 -3.393 1.00 0.76 H new ATOM 0 HD3 LYS A 82 8.456 -11.541 -4.400 1.00 0.76 H new ATOM 0 HE2 LYS A 82 9.803 -9.506 -4.996 1.00 0.90 H new ATOM 0 HE3 LYS A 82 11.135 -10.137 -4.048 1.00 0.90 H new ATOM 0 HZ1 LYS A 82 11.408 -10.634 -6.383 1.00 1.10 H new ATOM 0 HZ2 LYS A 82 11.216 -12.073 -5.502 1.00 1.10 H new ATOM 0 HZ3 LYS A 82 9.926 -11.462 -6.420 1.00 1.10 H new ATOM 1346 N SER A 83 5.312 -10.802 0.640 1.00 0.31 N ATOM 1347 CA SER A 83 4.424 -11.560 1.507 1.00 0.36 C ATOM 1348 C SER A 83 3.004 -11.521 0.961 1.00 0.31 C ATOM 1349 O SER A 83 2.682 -10.687 0.117 1.00 0.50 O ATOM 1350 CB SER A 83 4.458 -10.986 2.925 1.00 0.46 C ATOM 1351 OG SER A 83 5.787 -10.927 3.420 1.00 1.12 O ATOM 0 H SER A 83 4.894 -9.961 0.241 1.00 0.31 H new ATOM 0 HA SER A 83 4.761 -12.596 1.539 1.00 0.36 H new ATOM 0 HB2 SER A 83 4.021 -9.987 2.927 1.00 0.46 H new ATOM 0 HB3 SER A 83 3.848 -11.602 3.585 1.00 0.46 H new ATOM 0 HG SER A 83 5.782 -10.555 4.327 1.00 1.12 H new ATOM 1357 N THR A 84 2.163 -12.423 1.429 1.00 0.25 N ATOM 1358 CA THR A 84 0.764 -12.437 1.031 1.00 0.23 C ATOM 1359 C THR A 84 -0.115 -12.497 2.274 1.00 0.22 C ATOM 1360 O THR A 84 -0.119 -13.495 2.993 1.00 0.29 O ATOM 1361 CB THR A 84 0.467 -13.634 0.103 1.00 0.27 C ATOM 1362 OG1 THR A 84 1.438 -13.671 -0.953 1.00 0.35 O ATOM 1363 CG2 THR A 84 -0.926 -13.534 -0.502 1.00 0.27 C ATOM 0 H THR A 84 2.423 -13.158 2.087 1.00 0.25 H new ATOM 0 HA THR A 84 0.546 -11.524 0.477 1.00 0.23 H new ATOM 0 HB THR A 84 0.519 -14.546 0.698 1.00 0.27 H new ATOM 0 HG1 THR A 84 1.017 -13.398 -1.795 1.00 0.35 H new ATOM 0 HG21 THR A 84 -1.104 -14.392 -1.150 1.00 0.27 H new ATOM 0 HG22 THR A 84 -1.669 -13.522 0.295 1.00 0.27 H new ATOM 0 HG23 THR A 84 -1.004 -12.616 -1.085 1.00 0.27 H new ATOM 1371 N ASN A 85 -0.850 -11.423 2.528 1.00 0.18 N ATOM 1372 CA ASN A 85 -1.632 -11.311 3.752 1.00 0.18 C ATOM 1373 C ASN A 85 -2.837 -10.418 3.516 1.00 0.17 C ATOM 1374 O ASN A 85 -2.980 -9.827 2.446 1.00 0.18 O ATOM 1375 CB ASN A 85 -0.787 -10.727 4.885 1.00 0.21 C ATOM 1376 CG ASN A 85 -1.201 -11.240 6.254 1.00 0.30 C ATOM 1377 OD1 ASN A 85 -2.355 -11.610 6.476 1.00 0.61 O ATOM 1378 ND2 ASN A 85 -0.265 -11.252 7.188 1.00 0.37 N ATOM 0 H ASN A 85 -0.921 -10.619 1.905 1.00 0.18 H new ATOM 0 HA ASN A 85 -1.963 -12.310 4.037 1.00 0.18 H new ATOM 0 HB2 ASN A 85 0.261 -10.971 4.713 1.00 0.21 H new ATOM 0 HB3 ASN A 85 -0.868 -9.640 4.870 1.00 0.21 H new ATOM 0 HD21 ASN A 85 -0.488 -11.575 8.129 1.00 0.37 H new ATOM 0 HD22 ASN A 85 0.680 -10.938 6.967 1.00 0.37 H new ATOM 1385 N LYS A 86 -3.701 -10.327 4.513 1.00 0.19 N ATOM 1386 CA LYS A 86 -4.841 -9.426 4.459 1.00 0.19 C ATOM 1387 C LYS A 86 -4.330 -8.005 4.665 1.00 0.18 C ATOM 1388 O LYS A 86 -3.146 -7.807 4.933 1.00 0.21 O ATOM 1389 CB LYS A 86 -5.855 -9.734 5.570 1.00 0.24 C ATOM 1390 CG LYS A 86 -6.034 -11.207 5.916 1.00 0.37 C ATOM 1391 CD LYS A 86 -6.938 -11.941 4.948 1.00 0.33 C ATOM 1392 CE LYS A 86 -7.130 -13.380 5.409 1.00 0.55 C ATOM 1393 NZ LYS A 86 -8.021 -14.169 4.516 1.00 1.17 N ATOM 0 H LYS A 86 -3.634 -10.869 5.374 1.00 0.19 H new ATOM 0 HA LYS A 86 -5.335 -9.547 3.495 1.00 0.19 H new ATOM 0 HB2 LYS A 86 -5.550 -9.203 6.472 1.00 0.24 H new ATOM 0 HB3 LYS A 86 -6.823 -9.330 5.274 1.00 0.24 H new ATOM 0 HG2 LYS A 86 -5.058 -11.692 5.930 1.00 0.37 H new ATOM 0 HG3 LYS A 86 -6.446 -11.290 6.922 1.00 0.37 H new ATOM 0 HD2 LYS A 86 -7.903 -11.438 4.885 1.00 0.33 H new ATOM 0 HD3 LYS A 86 -6.504 -11.925 3.948 1.00 0.33 H new ATOM 0 HE2 LYS A 86 -6.158 -13.869 5.465 1.00 0.55 H new ATOM 0 HE3 LYS A 86 -7.545 -13.379 6.417 1.00 0.55 H new ATOM 0 HZ1 LYS A 86 -8.316 -15.040 5.002 1.00 1.17 H new ATOM 0 HZ2 LYS A 86 -8.861 -13.604 4.277 1.00 1.17 H new ATOM 0 HZ3 LYS A 86 -7.510 -14.415 3.644 1.00 1.17 H new ATOM 1407 N PHE A 87 -5.201 -7.023 4.546 1.00 0.17 N ATOM 1408 CA PHE A 87 -4.858 -5.673 4.966 1.00 0.18 C ATOM 1409 C PHE A 87 -6.111 -4.855 5.229 1.00 0.18 C ATOM 1410 O PHE A 87 -7.121 -5.011 4.545 1.00 0.19 O ATOM 1411 CB PHE A 87 -3.933 -4.972 3.957 1.00 0.20 C ATOM 1412 CG PHE A 87 -4.456 -4.872 2.547 1.00 0.18 C ATOM 1413 CD1 PHE A 87 -5.439 -3.953 2.227 1.00 0.22 C ATOM 1414 CD2 PHE A 87 -3.988 -5.715 1.548 1.00 0.27 C ATOM 1415 CE1 PHE A 87 -5.940 -3.871 0.944 1.00 0.22 C ATOM 1416 CE2 PHE A 87 -4.489 -5.637 0.263 1.00 0.29 C ATOM 1417 CZ PHE A 87 -5.376 -4.660 -0.070 1.00 0.20 C ATOM 0 H PHE A 87 -6.142 -7.129 4.167 1.00 0.17 H new ATOM 0 HA PHE A 87 -4.302 -5.753 5.900 1.00 0.18 H new ATOM 0 HB2 PHE A 87 -3.727 -3.965 4.320 1.00 0.20 H new ATOM 0 HB3 PHE A 87 -2.982 -5.504 3.935 1.00 0.20 H new ATOM 0 HD1 PHE A 87 -5.819 -3.291 2.991 1.00 0.22 H new ATOM 0 HD2 PHE A 87 -3.222 -6.441 1.778 1.00 0.27 H new ATOM 0 HE1 PHE A 87 -6.760 -3.204 0.722 1.00 0.22 H new ATOM 0 HE2 PHE A 87 -4.175 -6.355 -0.481 1.00 0.29 H new ATOM 0 HZ PHE A 87 -5.643 -4.494 -1.103 1.00 0.20 H new ATOM 1427 N CYS A 88 -6.059 -4.025 6.258 1.00 0.20 N ATOM 1428 CA CYS A 88 -7.186 -3.190 6.603 1.00 0.20 C ATOM 1429 C CYS A 88 -6.977 -1.807 6.009 1.00 0.20 C ATOM 1430 O CYS A 88 -5.975 -1.147 6.294 1.00 0.23 O ATOM 1431 CB CYS A 88 -7.355 -3.097 8.126 1.00 0.25 C ATOM 1432 SG CYS A 88 -9.071 -2.769 8.665 1.00 0.49 S ATOM 0 H CYS A 88 -5.247 -3.915 6.865 1.00 0.20 H new ATOM 0 HA CYS A 88 -8.095 -3.632 6.195 1.00 0.20 H new ATOM 0 HB2 CYS A 88 -7.016 -4.030 8.577 1.00 0.25 H new ATOM 0 HB3 CYS A 88 -6.708 -2.306 8.505 1.00 0.25 H new ATOM 1437 N VAL A 89 -7.897 -1.388 5.159 1.00 0.21 N ATOM 1438 CA VAL A 89 -7.817 -0.078 4.540 1.00 0.22 C ATOM 1439 C VAL A 89 -8.889 0.839 5.102 1.00 0.24 C ATOM 1440 O VAL A 89 -9.993 0.395 5.426 1.00 0.24 O ATOM 1441 CB VAL A 89 -7.948 -0.152 2.998 1.00 0.21 C ATOM 1442 CG1 VAL A 89 -6.674 -0.714 2.387 1.00 0.22 C ATOM 1443 CG2 VAL A 89 -9.154 -0.992 2.585 1.00 0.20 C ATOM 0 H VAL A 89 -8.710 -1.938 4.881 1.00 0.21 H new ATOM 0 HA VAL A 89 -6.831 0.326 4.771 1.00 0.22 H new ATOM 0 HB VAL A 89 -8.102 0.860 2.623 1.00 0.21 H new ATOM 0 HG11 VAL A 89 -6.780 -0.760 1.303 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -5.833 -0.069 2.642 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -6.495 -1.716 2.777 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -9.219 -1.025 1.497 1.00 0.20 H new ATOM 0 HG22 VAL A 89 -9.042 -2.005 2.973 1.00 0.20 H new ATOM 0 HG23 VAL A 89 -10.063 -0.547 2.990 1.00 0.20 H new ATOM 1453 N THR A 90 -8.552 2.105 5.255 1.00 0.26 N ATOM 1454 CA THR A 90 -9.519 3.083 5.693 1.00 0.28 C ATOM 1455 C THR A 90 -10.329 3.555 4.493 1.00 0.25 C ATOM 1456 O THR A 90 -9.823 4.301 3.647 1.00 0.25 O ATOM 1457 CB THR A 90 -8.835 4.295 6.346 1.00 0.33 C ATOM 1458 OG1 THR A 90 -7.950 3.852 7.380 1.00 0.35 O ATOM 1459 CG2 THR A 90 -9.862 5.256 6.927 1.00 0.40 C ATOM 0 H THR A 90 -7.618 2.476 5.082 1.00 0.26 H new ATOM 0 HA THR A 90 -10.167 2.615 6.434 1.00 0.28 H new ATOM 0 HB THR A 90 -8.268 4.822 5.578 1.00 0.33 H new ATOM 0 HG1 THR A 90 -8.464 3.669 8.194 1.00 0.35 H new ATOM 0 HG21 THR A 90 -9.350 6.104 7.382 1.00 0.40 H new ATOM 0 HG22 THR A 90 -10.517 5.612 6.132 1.00 0.40 H new ATOM 0 HG23 THR A 90 -10.455 4.741 7.683 1.00 0.40 H new ATOM 1467 N CYS A 91 -11.571 3.115 4.413 1.00 0.23 N ATOM 1468 CA CYS A 91 -12.421 3.452 3.289 1.00 0.22 C ATOM 1469 C CYS A 91 -13.238 4.700 3.565 1.00 0.25 C ATOM 1470 O CYS A 91 -13.880 4.812 4.605 1.00 0.29 O ATOM 1471 CB CYS A 91 -13.350 2.284 2.986 1.00 0.20 C ATOM 1472 SG CYS A 91 -12.471 0.731 2.648 1.00 0.20 S ATOM 0 H CYS A 91 -12.013 2.522 5.115 1.00 0.23 H new ATOM 0 HA CYS A 91 -11.783 3.653 2.428 1.00 0.22 H new ATOM 0 HB2 CYS A 91 -14.022 2.136 3.831 1.00 0.20 H new ATOM 0 HB3 CYS A 91 -13.970 2.536 2.126 1.00 0.20 H new ATOM 1477 N GLU A 92 -13.194 5.642 2.639 1.00 0.24 N ATOM 1478 CA GLU A 92 -14.036 6.821 2.708 1.00 0.29 C ATOM 1479 C GLU A 92 -14.470 7.212 1.302 1.00 0.27 C ATOM 1480 O GLU A 92 -13.644 7.281 0.393 1.00 0.27 O ATOM 1481 CB GLU A 92 -13.309 7.983 3.379 1.00 0.38 C ATOM 1482 CG GLU A 92 -14.237 9.130 3.743 1.00 0.48 C ATOM 1483 CD GLU A 92 -13.504 10.345 4.265 1.00 0.56 C ATOM 1484 OE1 GLU A 92 -12.871 11.055 3.456 1.00 0.76 O ATOM 1485 OE2 GLU A 92 -13.585 10.611 5.482 1.00 0.76 O ATOM 0 H GLU A 92 -12.579 5.611 1.826 1.00 0.24 H new ATOM 0 HA GLU A 92 -14.913 6.588 3.312 1.00 0.29 H new ATOM 0 HB2 GLU A 92 -12.814 7.623 4.281 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -12.529 8.351 2.712 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -14.817 9.413 2.864 1.00 0.48 H new ATOM 0 HG3 GLU A 92 -14.947 8.790 4.497 1.00 0.48 H new ATOM 1492 N ASN A 93 -15.769 7.437 1.130 1.00 0.29 N ATOM 1493 CA ASN A 93 -16.349 7.755 -0.179 1.00 0.31 C ATOM 1494 C ASN A 93 -16.062 6.650 -1.187 1.00 0.28 C ATOM 1495 O ASN A 93 -15.848 6.914 -2.370 1.00 0.31 O ATOM 1496 CB ASN A 93 -15.837 9.101 -0.711 1.00 0.35 C ATOM 1497 CG ASN A 93 -16.499 10.282 -0.034 1.00 0.43 C ATOM 1498 OD1 ASN A 93 -15.847 10.834 0.973 1.00 0.69 O flip ATOM 1499 ND2 ASN A 93 -17.580 10.711 -0.434 1.00 0.65 N flip ATOM 0 H ASN A 93 -16.450 7.405 1.888 1.00 0.29 H new ATOM 0 HA ASN A 93 -17.428 7.832 -0.043 1.00 0.31 H new ATOM 0 HB2 ASN A 93 -14.759 9.160 -0.564 1.00 0.35 H new ATOM 0 HB3 ASN A 93 -16.015 9.155 -1.785 1.00 0.35 H new ATOM 0 HD21 ASN A 93 -18.052 10.256 -1.215 1.00 0.65 H new ATOM 0 HD22 ASN A 93 -18.005 11.522 0.016 1.00 0.65 H new ATOM 1506 N GLN A 94 -16.074 5.409 -0.701 1.00 0.26 N ATOM 1507 CA GLN A 94 -15.872 4.226 -1.534 1.00 0.25 C ATOM 1508 C GLN A 94 -14.461 4.166 -2.099 1.00 0.22 C ATOM 1509 O GLN A 94 -14.228 3.572 -3.152 1.00 0.26 O ATOM 1510 CB GLN A 94 -16.896 4.177 -2.667 1.00 0.31 C ATOM 1511 CG GLN A 94 -18.318 4.003 -2.180 1.00 0.36 C ATOM 1512 CD GLN A 94 -19.314 3.907 -3.315 1.00 0.44 C ATOM 1513 OE1 GLN A 94 -20.474 4.283 -3.176 1.00 0.69 O ATOM 1514 NE2 GLN A 94 -18.863 3.416 -4.453 1.00 0.48 N ATOM 0 H GLN A 94 -16.225 5.196 0.285 1.00 0.26 H new ATOM 0 HA GLN A 94 -16.013 3.355 -0.894 1.00 0.25 H new ATOM 0 HB2 GLN A 94 -16.828 5.096 -3.249 1.00 0.31 H new ATOM 0 HB3 GLN A 94 -16.646 3.356 -3.338 1.00 0.31 H new ATOM 0 HG2 GLN A 94 -18.381 3.103 -1.569 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -18.584 4.843 -1.538 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -17.892 3.114 -4.529 1.00 0.48 H new ATOM 0 HE22 GLN A 94 -19.486 3.338 -5.257 1.00 0.48 H new ATOM 1523 N ALA A 95 -13.521 4.766 -1.393 1.00 0.20 N ATOM 1524 CA ALA A 95 -12.125 4.709 -1.791 1.00 0.19 C ATOM 1525 C ALA A 95 -11.212 4.605 -0.578 1.00 0.17 C ATOM 1526 O ALA A 95 -11.405 5.308 0.416 1.00 0.19 O ATOM 1527 CB ALA A 95 -11.761 5.928 -2.626 1.00 0.21 C ATOM 0 H ALA A 95 -13.698 5.299 -0.541 1.00 0.20 H new ATOM 0 HA ALA A 95 -11.984 3.814 -2.397 1.00 0.19 H new ATOM 0 HB1 ALA A 95 -10.712 5.870 -2.916 1.00 0.21 H new ATOM 0 HB2 ALA A 95 -12.384 5.956 -3.520 1.00 0.21 H new ATOM 0 HB3 ALA A 95 -11.926 6.833 -2.041 1.00 0.21 H new ATOM 1533 N PRO A 96 -10.241 3.685 -0.627 1.00 0.16 N ATOM 1534 CA PRO A 96 -9.189 3.591 0.384 1.00 0.17 C ATOM 1535 C PRO A 96 -8.328 4.851 0.404 1.00 0.19 C ATOM 1536 O PRO A 96 -7.596 5.124 -0.542 1.00 0.25 O ATOM 1537 CB PRO A 96 -8.353 2.379 -0.048 1.00 0.19 C ATOM 1538 CG PRO A 96 -9.186 1.641 -1.042 1.00 0.17 C ATOM 1539 CD PRO A 96 -10.120 2.643 -1.657 1.00 0.17 C ATOM 0 HA PRO A 96 -9.597 3.486 1.389 1.00 0.17 H new ATOM 0 HB2 PRO A 96 -7.407 2.694 -0.488 1.00 0.19 H new ATOM 0 HB3 PRO A 96 -8.112 1.746 0.806 1.00 0.19 H new ATOM 0 HG2 PRO A 96 -8.559 1.179 -1.804 1.00 0.17 H new ATOM 0 HG3 PRO A 96 -9.744 0.839 -0.559 1.00 0.17 H new ATOM 0 HD2 PRO A 96 -9.720 3.045 -2.588 1.00 0.17 H new ATOM 0 HD3 PRO A 96 -11.087 2.198 -1.892 1.00 0.17 H new ATOM 1547 N VAL A 97 -8.437 5.627 1.470 1.00 0.20 N ATOM 1548 CA VAL A 97 -7.699 6.881 1.566 1.00 0.24 C ATOM 1549 C VAL A 97 -6.566 6.785 2.579 1.00 0.27 C ATOM 1550 O VAL A 97 -5.667 7.623 2.605 1.00 0.35 O ATOM 1551 CB VAL A 97 -8.627 8.053 1.946 1.00 0.29 C ATOM 1552 CG1 VAL A 97 -9.634 8.323 0.836 1.00 0.33 C ATOM 1553 CG2 VAL A 97 -9.339 7.759 3.256 1.00 0.35 C ATOM 0 H VAL A 97 -9.024 5.415 2.277 1.00 0.20 H new ATOM 0 HA VAL A 97 -7.275 7.071 0.580 1.00 0.24 H new ATOM 0 HB VAL A 97 -8.018 8.948 2.077 1.00 0.29 H new ATOM 0 HG11 VAL A 97 -10.279 9.153 1.124 1.00 0.33 H new ATOM 0 HG12 VAL A 97 -9.104 8.577 -0.082 1.00 0.33 H new ATOM 0 HG13 VAL A 97 -10.241 7.433 0.671 1.00 0.33 H new ATOM 0 HG21 VAL A 97 -9.990 8.595 3.512 1.00 0.35 H new ATOM 0 HG22 VAL A 97 -9.936 6.853 3.150 1.00 0.35 H new ATOM 0 HG23 VAL A 97 -8.602 7.618 4.047 1.00 0.35 H new ATOM 1563 N HIS A 98 -6.617 5.762 3.417 1.00 0.30 N ATOM 1564 CA HIS A 98 -5.592 5.549 4.430 1.00 0.35 C ATOM 1565 C HIS A 98 -5.315 4.061 4.581 1.00 0.31 C ATOM 1566 O HIS A 98 -6.193 3.235 4.332 1.00 0.31 O ATOM 1567 CB HIS A 98 -6.017 6.141 5.782 1.00 0.42 C ATOM 1568 CG HIS A 98 -6.113 7.638 5.798 1.00 0.57 C ATOM 1569 ND1 HIS A 98 -7.191 8.457 5.798 1.00 1.03 N flip ATOM 1570 CD2 HIS A 98 -5.011 8.464 5.804 1.00 0.75 C flip ATOM 1571 CE1 HIS A 98 -6.724 9.746 5.803 1.00 1.08 C flip ATOM 1572 NE2 HIS A 98 -5.407 9.725 5.807 1.00 0.82 N flip ATOM 0 H HIS A 98 -7.360 5.063 3.417 1.00 0.30 H new ATOM 0 HA HIS A 98 -4.684 6.057 4.107 1.00 0.35 H new ATOM 0 HB2 HIS A 98 -6.985 5.724 6.060 1.00 0.42 H new ATOM 0 HB3 HIS A 98 -5.304 5.826 6.544 1.00 0.42 H new ATOM 0 HD2 HIS A 98 -3.983 8.133 5.806 1.00 0.75 H new ATOM 0 HE1 HIS A 98 -7.337 10.635 5.804 1.00 1.08 H new ATOM 0 HE2 HIS A 98 -4.797 10.542 5.812 1.00 0.82 H new ATOM 1581 N PHE A 99 -4.099 3.720 4.973 1.00 0.31 N ATOM 1582 CA PHE A 99 -3.728 2.326 5.159 1.00 0.29 C ATOM 1583 C PHE A 99 -3.537 2.034 6.641 1.00 0.29 C ATOM 1584 O PHE A 99 -2.741 2.687 7.315 1.00 0.36 O ATOM 1585 CB PHE A 99 -2.452 2.002 4.380 1.00 0.31 C ATOM 1586 CG PHE A 99 -2.139 0.533 4.317 1.00 0.30 C ATOM 1587 CD1 PHE A 99 -2.829 -0.305 3.452 1.00 0.29 C ATOM 1588 CD2 PHE A 99 -1.155 -0.009 5.127 1.00 0.32 C ATOM 1589 CE1 PHE A 99 -2.538 -1.656 3.401 1.00 0.29 C ATOM 1590 CE2 PHE A 99 -0.862 -1.357 5.079 1.00 0.33 C ATOM 1591 CZ PHE A 99 -1.567 -2.184 4.187 1.00 0.31 C ATOM 0 H PHE A 99 -3.353 4.387 5.168 1.00 0.31 H new ATOM 0 HA PHE A 99 -4.530 1.695 4.776 1.00 0.29 H new ATOM 0 HB2 PHE A 99 -2.549 2.388 3.365 1.00 0.31 H new ATOM 0 HB3 PHE A 99 -1.613 2.524 4.841 1.00 0.31 H new ATOM 0 HD1 PHE A 99 -3.599 0.101 2.814 1.00 0.29 H new ATOM 0 HD2 PHE A 99 -0.610 0.631 5.805 1.00 0.32 H new ATOM 0 HE1 PHE A 99 -3.089 -2.297 2.729 1.00 0.29 H new ATOM 0 HE2 PHE A 99 -0.099 -1.772 5.720 1.00 0.33 H new ATOM 0 HZ PHE A 99 -1.336 -3.237 4.128 1.00 0.31 H new ATOM 1601 N VAL A 100 -4.276 1.056 7.143 1.00 0.28 N ATOM 1602 CA VAL A 100 -4.225 0.708 8.554 1.00 0.28 C ATOM 1603 C VAL A 100 -3.076 -0.262 8.840 1.00 0.28 C ATOM 1604 O VAL A 100 -2.127 0.078 9.546 1.00 0.32 O ATOM 1605 CB VAL A 100 -5.560 0.088 9.018 1.00 0.27 C ATOM 1606 CG1 VAL A 100 -5.502 -0.281 10.490 1.00 0.29 C ATOM 1607 CG2 VAL A 100 -6.724 1.035 8.741 1.00 0.29 C ATOM 0 H VAL A 100 -4.920 0.488 6.592 1.00 0.28 H new ATOM 0 HA VAL A 100 -4.052 1.628 9.112 1.00 0.28 H new ATOM 0 HB VAL A 100 -5.725 -0.826 8.447 1.00 0.27 H new ATOM 0 HG11 VAL A 100 -6.454 -0.716 10.794 1.00 0.29 H new ATOM 0 HG12 VAL A 100 -4.704 -1.005 10.652 1.00 0.29 H new ATOM 0 HG13 VAL A 100 -5.306 0.613 11.082 1.00 0.29 H new ATOM 0 HG21 VAL A 100 -7.654 0.576 9.077 1.00 0.29 H new ATOM 0 HG22 VAL A 100 -6.567 1.971 9.277 1.00 0.29 H new ATOM 0 HG23 VAL A 100 -6.784 1.235 7.671 1.00 0.29 H new ATOM 1617 N GLY A 101 -3.166 -1.464 8.286 1.00 0.28 N ATOM 1618 CA GLY A 101 -2.132 -2.462 8.492 1.00 0.29 C ATOM 1619 C GLY A 101 -2.459 -3.753 7.785 1.00 0.25 C ATOM 1620 O GLY A 101 -3.545 -3.889 7.223 1.00 0.28 O ATOM 0 H GLY A 101 -3.940 -1.768 7.695 1.00 0.28 H new ATOM 0 HA2 GLY A 101 -1.178 -2.079 8.129 1.00 0.29 H new ATOM 0 HA3 GLY A 101 -2.015 -2.650 9.559 1.00 0.29 H new ATOM 1624 N VAL A 102 -1.537 -4.705 7.816 1.00 0.25 N ATOM 1625 CA VAL A 102 -1.739 -5.969 7.122 1.00 0.22 C ATOM 1626 C VAL A 102 -2.206 -7.050 8.092 1.00 0.24 C ATOM 1627 O VAL A 102 -1.993 -6.955 9.302 1.00 0.28 O ATOM 1628 CB VAL A 102 -0.471 -6.447 6.369 1.00 0.24 C ATOM 1629 CG1 VAL A 102 0.308 -5.270 5.803 1.00 0.27 C ATOM 1630 CG2 VAL A 102 0.418 -7.317 7.243 1.00 0.25 C ATOM 0 H VAL A 102 -0.648 -4.628 8.310 1.00 0.25 H new ATOM 0 HA VAL A 102 -2.514 -5.792 6.376 1.00 0.22 H new ATOM 0 HB VAL A 102 -0.809 -7.064 5.536 1.00 0.24 H new ATOM 0 HG11 VAL A 102 1.192 -5.636 5.281 1.00 0.27 H new ATOM 0 HG12 VAL A 102 -0.323 -4.718 5.106 1.00 0.27 H new ATOM 0 HG13 VAL A 102 0.614 -4.611 6.616 1.00 0.27 H new ATOM 0 HG21 VAL A 102 1.294 -7.629 6.674 1.00 0.25 H new ATOM 0 HG22 VAL A 102 0.736 -6.749 8.117 1.00 0.25 H new ATOM 0 HG23 VAL A 102 -0.138 -8.198 7.565 1.00 0.25 H new ATOM 1640 N GLY A 103 -2.876 -8.053 7.554 1.00 0.24 N ATOM 1641 CA GLY A 103 -3.365 -9.152 8.363 1.00 0.29 C ATOM 1642 C GLY A 103 -4.724 -8.856 8.953 1.00 0.28 C ATOM 1643 O GLY A 103 -5.679 -9.610 8.765 1.00 0.34 O ATOM 0 H GLY A 103 -3.093 -8.128 6.560 1.00 0.24 H new ATOM 0 HA2 GLY A 103 -3.422 -10.054 7.754 1.00 0.29 H new ATOM 0 HA3 GLY A 103 -2.657 -9.355 9.166 1.00 0.29 H new ATOM 1647 N SER A 104 -4.796 -7.753 9.672 1.00 0.33 N ATOM 1648 CA SER A 104 -6.019 -7.283 10.280 1.00 0.32 C ATOM 1649 C SER A 104 -5.790 -5.879 10.803 1.00 0.39 C ATOM 1650 O SER A 104 -4.673 -5.364 10.727 1.00 0.59 O ATOM 1651 CB SER A 104 -6.423 -8.222 11.409 1.00 0.45 C ATOM 1652 OG SER A 104 -5.331 -8.479 12.275 1.00 1.38 O ATOM 0 H SER A 104 -3.992 -7.151 9.851 1.00 0.33 H new ATOM 0 HA SER A 104 -6.826 -7.266 9.547 1.00 0.32 H new ATOM 0 HB2 SER A 104 -7.244 -7.783 11.975 1.00 0.45 H new ATOM 0 HB3 SER A 104 -6.789 -9.160 10.992 1.00 0.45 H new ATOM 0 HG SER A 104 -5.617 -9.083 12.992 1.00 1.38 H new ATOM 1658 N CYS A 105 -6.829 -5.252 11.311 1.00 0.39 N ATOM 1659 CA CYS A 105 -6.682 -3.944 11.909 1.00 0.53 C ATOM 1660 C CYS A 105 -7.025 -3.984 13.389 1.00 0.48 C ATOM 1661 O CYS A 105 -8.208 -4.188 13.721 1.00 1.10 O ATOM 1662 CB CYS A 105 -7.523 -2.911 11.181 1.00 0.82 C ATOM 1663 SG CYS A 105 -9.117 -3.502 10.551 1.00 1.01 S ATOM 1664 OXT CYS A 105 -6.104 -3.827 14.218 1.00 1.20 O ATOM 0 H CYS A 105 -7.779 -5.624 11.322 1.00 0.39 H new ATOM 0 HA CYS A 105 -5.638 -3.647 11.813 1.00 0.53 H new ATOM 0 HB2 CYS A 105 -7.707 -2.076 11.857 1.00 0.82 H new ATOM 0 HB3 CYS A 105 -6.944 -2.521 10.344 1.00 0.82 H new TER 1669 CYS A 105