USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 687 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 83 SER OG : rot -172:sc= 0.365 USER MOD Set 1.2: A 84 ASN : amide:sc= -0.149 K(o=0.22,f=-2.7!) USER MOD Set 2.1: A 40 MET CE :methyl -126:sc= -2.15 (180deg=-8.54!) USER MOD Set 2.2: A 41 TYR OH : rot 30:sc= -0.686 USER MOD Set 3.1: A 36 GLN :FLIP amide:sc= -0.199 F(o=-2.9,f=-1.3) USER MOD Set 3.2: A 60 ASN : amide:sc= -1.14 K(o=-1.3,f=-4!) USER MOD Set 4.1: A 5 SER OG : rot -140:sc= 0 USER MOD Set 4.2: A 8 GLN : amide:sc= -0.282 K(o=-0.28,f=-3.7!) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.036 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -84:sc= 0.00913 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 18 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0103) USER MOD Single : A 23 SER OG : rot 21:sc= 0.0447 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -2.06! C(o=-4.1!,f=-2.1!) USER MOD Single : A 35 CYS SG : rot -8:sc= 0.233 USER MOD Single : A 43 TYR OH : rot -116:sc= -0.0575 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= 0.389 K(o=0.39,f=-6.9!) USER MOD Single : A 52 SER OG : rot 36:sc= 0.594 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000497) USER MOD Single : A 57 GLN : amide:sc= -0.631 K(o=-0.63,f=-8.2!) USER MOD Single : A 62 MET CE :methyl -114:sc= -3.01 (180deg=-4.46!) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= -0.0481 (180deg=-0.0481) USER MOD Single : A 71 GLN : amide:sc= 0.848 K(o=0.85,f=-5.1!) USER MOD Single : A 75 ASN : amide:sc=-0.00352 X(o=-0.0035,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -171:sc= -0.193 (180deg=-0.409) USER MOD Single : A 89 THR OG1 : rot -71:sc= 0.796 USER MOD Single : A 90 THR OG1 : rot 71:sc= 1.22 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.571 33.543 6.009 1.00 0.00 N ATOM 2 CA GLY A 1 2.220 34.614 5.276 1.00 0.00 C ATOM 3 C GLY A 1 1.396 35.093 4.097 1.00 0.00 C ATOM 4 O GLY A 1 0.168 34.999 4.110 1.00 0.00 O ATOM 0 H1 GLY A 1 1.581 33.762 7.026 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.587 33.447 5.685 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.079 32.651 5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.405 35.451 5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.191 34.270 4.921 1.00 0.00 H new ATOM 8 N SER A 2 2.071 35.610 3.076 1.00 0.00 N ATOM 9 CA SER A 2 1.392 36.110 1.886 1.00 0.00 C ATOM 10 C SER A 2 0.574 35.007 1.223 1.00 0.00 C ATOM 11 O SER A 2 -0.602 35.194 0.910 1.00 0.00 O ATOM 12 CB SER A 2 2.410 36.674 0.892 1.00 0.00 C ATOM 13 OG SER A 2 1.829 36.848 -0.389 1.00 0.00 O ATOM 0 H SER A 2 3.087 35.694 3.048 1.00 0.00 H new ATOM 0 HA SER A 2 0.714 36.906 2.192 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.788 37.629 1.256 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.264 36.000 0.819 1.00 0.00 H new ATOM 0 HG SER A 2 2.499 37.211 -1.005 1.00 0.00 H new ATOM 19 N SER A 3 1.205 33.857 1.011 1.00 0.00 N ATOM 20 CA SER A 3 0.537 32.724 0.381 1.00 0.00 C ATOM 21 C SER A 3 -0.182 31.870 1.421 1.00 0.00 C ATOM 22 O SER A 3 0.444 31.304 2.316 1.00 0.00 O ATOM 23 CB SER A 3 1.549 31.870 -0.385 1.00 0.00 C ATOM 24 OG SER A 3 0.905 30.813 -1.077 1.00 0.00 O ATOM 0 H SER A 3 2.178 33.685 1.266 1.00 0.00 H new ATOM 0 HA SER A 3 -0.203 33.113 -0.318 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.094 32.494 -1.094 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.283 31.460 0.309 1.00 0.00 H new ATOM 0 HG SER A 3 0.770 30.058 -0.468 1.00 0.00 H new ATOM 30 N GLY A 4 -1.503 31.783 1.296 1.00 0.00 N ATOM 31 CA GLY A 4 -2.286 30.997 2.231 1.00 0.00 C ATOM 32 C GLY A 4 -2.180 29.508 1.969 1.00 0.00 C ATOM 33 O GLY A 4 -1.910 28.727 2.882 1.00 0.00 O ATOM 0 H GLY A 4 -2.044 32.243 0.564 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.952 31.208 3.247 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.331 31.300 2.169 1.00 0.00 H new ATOM 37 N SER A 5 -2.394 29.112 0.718 1.00 0.00 N ATOM 38 CA SER A 5 -2.327 27.706 0.339 1.00 0.00 C ATOM 39 C SER A 5 -0.878 27.234 0.256 1.00 0.00 C ATOM 40 O SER A 5 -0.048 27.856 -0.407 1.00 0.00 O ATOM 41 CB SER A 5 -3.024 27.484 -1.004 1.00 0.00 C ATOM 42 OG SER A 5 -2.744 26.193 -1.518 1.00 0.00 O ATOM 0 H SER A 5 -2.615 29.746 -0.050 1.00 0.00 H new ATOM 0 HA SER A 5 -2.838 27.124 1.106 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.100 27.605 -0.883 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.697 28.241 -1.716 1.00 0.00 H new ATOM 0 HG SER A 5 -2.605 26.250 -2.486 1.00 0.00 H new ATOM 48 N SER A 6 -0.582 26.131 0.936 1.00 0.00 N ATOM 49 CA SER A 6 0.767 25.577 0.943 1.00 0.00 C ATOM 50 C SER A 6 0.935 24.541 -0.164 1.00 0.00 C ATOM 51 O SER A 6 1.929 24.547 -0.890 1.00 0.00 O ATOM 52 CB SER A 6 1.073 24.942 2.301 1.00 0.00 C ATOM 53 OG SER A 6 0.831 25.856 3.357 1.00 0.00 O ATOM 0 H SER A 6 -1.258 25.604 1.489 1.00 0.00 H new ATOM 0 HA SER A 6 1.468 26.392 0.764 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.458 24.053 2.437 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.113 24.617 2.328 1.00 0.00 H new ATOM 0 HG SER A 6 1.032 25.426 4.214 1.00 0.00 H new ATOM 59 N GLY A 7 -0.045 23.651 -0.288 1.00 0.00 N ATOM 60 CA GLY A 7 0.012 22.621 -1.308 1.00 0.00 C ATOM 61 C GLY A 7 -1.191 21.700 -1.270 1.00 0.00 C ATOM 62 O GLY A 7 -1.671 21.340 -0.196 1.00 0.00 O ATOM 0 H GLY A 7 -0.878 23.625 0.300 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.076 23.090 -2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.920 22.033 -1.176 1.00 0.00 H new ATOM 66 N GLN A 8 -1.680 21.320 -2.446 1.00 0.00 N ATOM 67 CA GLN A 8 -2.837 20.437 -2.543 1.00 0.00 C ATOM 68 C GLN A 8 -2.401 18.982 -2.685 1.00 0.00 C ATOM 69 O GLN A 8 -1.814 18.595 -3.696 1.00 0.00 O ATOM 70 CB GLN A 8 -3.713 20.838 -3.730 1.00 0.00 C ATOM 71 CG GLN A 8 -4.629 22.016 -3.440 1.00 0.00 C ATOM 72 CD GLN A 8 -3.933 23.352 -3.608 1.00 0.00 C ATOM 73 OE1 GLN A 8 -2.757 23.411 -3.969 1.00 0.00 O ATOM 74 NE2 GLN A 8 -4.657 24.434 -3.348 1.00 0.00 N ATOM 0 H GLN A 8 -1.294 21.609 -3.344 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.416 20.535 -1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.072 21.086 -4.576 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.319 19.983 -4.029 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.491 21.974 -4.106 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.009 21.934 -2.422 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.628 24.339 -3.051 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.242 25.361 -3.445 1.00 0.00 H new ATOM 83 N LYS A 9 -2.692 18.181 -1.666 1.00 0.00 N ATOM 84 CA LYS A 9 -2.332 16.768 -1.677 1.00 0.00 C ATOM 85 C LYS A 9 -3.349 15.953 -2.469 1.00 0.00 C ATOM 86 O LYS A 9 -4.340 15.476 -1.918 1.00 0.00 O ATOM 87 CB LYS A 9 -2.237 16.234 -0.246 1.00 0.00 C ATOM 88 CG LYS A 9 -1.726 14.806 -0.163 1.00 0.00 C ATOM 89 CD LYS A 9 -0.234 14.730 -0.442 1.00 0.00 C ATOM 90 CE LYS A 9 0.160 13.373 -1.005 1.00 0.00 C ATOM 91 NZ LYS A 9 1.355 13.465 -1.889 1.00 0.00 N ATOM 0 H LYS A 9 -3.176 18.486 -0.822 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.360 16.670 -2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.577 16.881 0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.222 16.286 0.219 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.933 14.402 0.828 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.263 14.184 -0.879 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.046 15.513 -1.147 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.319 14.918 0.478 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.367 12.686 -0.185 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.676 12.956 -1.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.591 12.520 -2.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.149 14.101 -2.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.160 13.839 -1.347 1.00 0.00 H new ATOM 105 N GLY A 10 -3.096 15.796 -3.765 1.00 0.00 N ATOM 106 CA GLY A 10 -3.999 15.037 -4.610 1.00 0.00 C ATOM 107 C GLY A 10 -4.529 13.793 -3.924 1.00 0.00 C ATOM 108 O GLY A 10 -5.730 13.525 -3.951 1.00 0.00 O ATOM 0 H GLY A 10 -2.282 16.181 -4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.836 15.671 -4.903 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.480 14.750 -5.525 1.00 0.00 H new ATOM 112 N TRP A 11 -3.631 13.032 -3.308 1.00 0.00 N ATOM 113 CA TRP A 11 -4.015 11.809 -2.612 1.00 0.00 C ATOM 114 C TRP A 11 -5.012 12.106 -1.497 1.00 0.00 C ATOM 115 O TRP A 11 -4.918 13.134 -0.826 1.00 0.00 O ATOM 116 CB TRP A 11 -2.780 11.115 -2.037 1.00 0.00 C ATOM 117 CG TRP A 11 -3.094 9.832 -1.329 1.00 0.00 C ATOM 118 CD1 TRP A 11 -3.358 9.675 0.002 1.00 0.00 C ATOM 119 CD2 TRP A 11 -3.175 8.528 -1.913 1.00 0.00 C ATOM 120 NE1 TRP A 11 -3.599 8.351 0.280 1.00 0.00 N ATOM 121 CE2 TRP A 11 -3.494 7.627 -0.878 1.00 0.00 C ATOM 122 CE3 TRP A 11 -3.013 8.034 -3.210 1.00 0.00 C ATOM 123 CZ2 TRP A 11 -3.650 6.262 -1.103 1.00 0.00 C ATOM 124 CZ3 TRP A 11 -3.168 6.679 -3.431 1.00 0.00 C ATOM 125 CH2 TRP A 11 -3.485 5.805 -2.382 1.00 0.00 C ATOM 0 H TRP A 11 -2.633 13.240 -3.276 1.00 0.00 H new ATOM 0 HA TRP A 11 -4.493 11.146 -3.333 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -2.077 10.913 -2.845 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -2.282 11.792 -1.343 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.375 10.474 0.729 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -3.820 7.969 1.200 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.771 8.700 -4.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -3.893 5.587 -0.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.043 6.286 -4.429 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.601 4.751 -2.587 1.00 0.00 H new ATOM 136 N PHE A 12 -5.966 11.202 -1.305 1.00 0.00 N ATOM 137 CA PHE A 12 -6.980 11.369 -0.271 1.00 0.00 C ATOM 138 C PHE A 12 -6.744 10.400 0.884 1.00 0.00 C ATOM 139 O PHE A 12 -7.106 9.224 0.825 1.00 0.00 O ATOM 140 CB PHE A 12 -8.377 11.151 -0.857 1.00 0.00 C ATOM 141 CG PHE A 12 -9.480 11.299 0.152 1.00 0.00 C ATOM 142 CD1 PHE A 12 -9.931 12.554 0.526 1.00 0.00 C ATOM 143 CD2 PHE A 12 -10.066 10.182 0.726 1.00 0.00 C ATOM 144 CE1 PHE A 12 -10.946 12.693 1.454 1.00 0.00 C ATOM 145 CE2 PHE A 12 -11.081 10.315 1.654 1.00 0.00 C ATOM 146 CZ PHE A 12 -11.521 11.572 2.019 1.00 0.00 C ATOM 0 H PHE A 12 -6.058 10.346 -1.852 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.909 12.387 0.112 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.538 11.863 -1.666 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.427 10.154 -1.295 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.484 13.434 0.088 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.725 9.196 0.445 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.289 13.677 1.737 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -11.530 9.437 2.094 1.00 0.00 H new ATOM 0 HZ PHE A 12 -12.313 11.678 2.745 1.00 0.00 H new ATOM 156 N PRO A 13 -6.122 10.903 1.960 1.00 0.00 N ATOM 157 CA PRO A 13 -5.823 10.100 3.149 1.00 0.00 C ATOM 158 C PRO A 13 -7.080 9.728 3.929 1.00 0.00 C ATOM 159 O PRO A 13 -8.154 10.279 3.692 1.00 0.00 O ATOM 160 CB PRO A 13 -4.930 11.020 3.984 1.00 0.00 C ATOM 161 CG PRO A 13 -5.299 12.398 3.555 1.00 0.00 C ATOM 162 CD PRO A 13 -5.662 12.295 2.099 1.00 0.00 C ATOM 0 HA PRO A 13 -5.356 9.149 2.891 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.103 10.878 5.051 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.874 10.818 3.803 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.137 12.778 4.140 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.468 13.088 3.702 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.443 13.005 1.828 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.807 12.502 1.456 1.00 0.00 H new ATOM 170 N ALA A 14 -6.938 8.789 4.859 1.00 0.00 N ATOM 171 CA ALA A 14 -8.062 8.346 5.675 1.00 0.00 C ATOM 172 C ALA A 14 -8.277 9.275 6.864 1.00 0.00 C ATOM 173 O ALA A 14 -7.827 8.992 7.975 1.00 0.00 O ATOM 174 CB ALA A 14 -7.837 6.919 6.151 1.00 0.00 C ATOM 0 H ALA A 14 -6.056 8.321 5.066 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.961 8.375 5.059 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.684 6.601 6.759 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.741 6.259 5.289 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.925 6.874 6.746 1.00 0.00 H new ATOM 180 N SER A 15 -8.966 10.386 6.625 1.00 0.00 N ATOM 181 CA SER A 15 -9.237 11.360 7.676 1.00 0.00 C ATOM 182 C SER A 15 -10.523 11.013 8.420 1.00 0.00 C ATOM 183 O SER A 15 -11.621 11.139 7.877 1.00 0.00 O ATOM 184 CB SER A 15 -9.340 12.766 7.083 1.00 0.00 C ATOM 185 OG SER A 15 -8.084 13.211 6.602 1.00 0.00 O ATOM 0 H SER A 15 -9.347 10.634 5.712 1.00 0.00 H new ATOM 0 HA SER A 15 -8.410 11.333 8.385 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.066 12.769 6.270 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.708 13.457 7.841 1.00 0.00 H new ATOM 0 HG SER A 15 -8.178 14.111 6.227 1.00 0.00 H new ATOM 191 N HIS A 16 -10.379 10.575 9.667 1.00 0.00 N ATOM 192 CA HIS A 16 -11.528 10.210 10.487 1.00 0.00 C ATOM 193 C HIS A 16 -11.979 11.388 11.346 1.00 0.00 C ATOM 194 O HIS A 16 -11.172 12.236 11.727 1.00 0.00 O ATOM 195 CB HIS A 16 -11.188 9.015 11.377 1.00 0.00 C ATOM 196 CG HIS A 16 -12.384 8.215 11.790 1.00 0.00 C ATOM 197 ND1 HIS A 16 -13.202 8.571 12.841 1.00 0.00 N ATOM 198 CD2 HIS A 16 -12.901 7.070 11.284 1.00 0.00 C ATOM 199 CE1 HIS A 16 -14.169 7.680 12.966 1.00 0.00 C ATOM 200 NE2 HIS A 16 -14.010 6.759 12.033 1.00 0.00 N ATOM 0 H HIS A 16 -9.478 10.464 10.131 1.00 0.00 H new ATOM 0 HA HIS A 16 -12.346 9.935 9.821 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -10.492 8.365 10.847 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -10.674 9.372 12.270 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -12.514 6.507 10.448 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.956 7.701 13.705 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -14.613 5.948 11.891 1.00 0.00 H new ATOM 209 N VAL A 17 -13.272 11.434 11.648 1.00 0.00 N ATOM 210 CA VAL A 17 -13.830 12.507 12.462 1.00 0.00 C ATOM 211 C VAL A 17 -14.149 12.019 13.871 1.00 0.00 C ATOM 212 O VAL A 17 -14.914 11.072 14.054 1.00 0.00 O ATOM 213 CB VAL A 17 -15.110 13.085 11.829 1.00 0.00 C ATOM 214 CG1 VAL A 17 -14.813 13.655 10.451 1.00 0.00 C ATOM 215 CG2 VAL A 17 -16.194 12.020 11.753 1.00 0.00 C ATOM 0 H VAL A 17 -13.954 10.740 11.341 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.074 13.290 12.514 1.00 0.00 H new ATOM 0 HB VAL A 17 -15.473 13.896 12.460 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -15.729 14.059 10.019 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -14.072 14.449 10.538 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.425 12.866 9.807 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -17.091 12.445 11.303 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -15.843 11.187 11.144 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.425 11.664 12.757 1.00 0.00 H new ATOM 225 N LYS A 18 -13.556 12.671 14.865 1.00 0.00 N ATOM 226 CA LYS A 18 -13.777 12.306 16.259 1.00 0.00 C ATOM 227 C LYS A 18 -14.604 13.369 16.976 1.00 0.00 C ATOM 228 O LYS A 18 -14.318 13.727 18.119 1.00 0.00 O ATOM 229 CB LYS A 18 -12.439 12.117 16.977 1.00 0.00 C ATOM 230 CG LYS A 18 -11.593 10.995 16.400 1.00 0.00 C ATOM 231 CD LYS A 18 -10.783 11.465 15.204 1.00 0.00 C ATOM 232 CE LYS A 18 -9.917 10.348 14.644 1.00 0.00 C ATOM 233 NZ LYS A 18 -8.755 10.051 15.527 1.00 0.00 N ATOM 0 H LYS A 18 -12.918 13.456 14.731 1.00 0.00 H new ATOM 0 HA LYS A 18 -14.329 11.366 16.278 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.875 13.048 16.928 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.627 11.914 18.031 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.921 10.613 17.168 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.238 10.169 16.101 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.456 11.829 14.428 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.152 12.304 15.498 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.520 9.448 14.522 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.558 10.628 13.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.153 9.332 15.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.203 10.919 15.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.097 9.694 16.442 1.00 0.00 H new ATOM 247 N LEU A 19 -15.631 13.870 16.297 1.00 0.00 N ATOM 248 CA LEU A 19 -16.501 14.892 16.870 1.00 0.00 C ATOM 249 C LEU A 19 -17.526 14.268 17.812 1.00 0.00 C ATOM 250 O LEU A 19 -18.077 13.203 17.530 1.00 0.00 O ATOM 251 CB LEU A 19 -17.215 15.663 15.758 1.00 0.00 C ATOM 252 CG LEU A 19 -16.391 16.739 15.052 1.00 0.00 C ATOM 253 CD1 LEU A 19 -15.419 16.107 14.067 1.00 0.00 C ATOM 254 CD2 LEU A 19 -17.303 17.729 14.342 1.00 0.00 C ATOM 0 H LEU A 19 -15.881 13.585 15.350 1.00 0.00 H new ATOM 0 HA LEU A 19 -15.882 15.583 17.443 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -17.559 14.948 15.010 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -18.103 16.133 16.181 1.00 0.00 H new ATOM 0 HG LEU A 19 -15.815 17.279 15.803 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -14.841 16.889 13.574 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.744 15.438 14.601 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -15.975 15.541 13.320 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.699 18.488 13.845 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -17.905 17.202 13.602 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -17.959 18.207 15.070 1.00 0.00 H new ATOM 266 N LEU A 20 -17.779 14.939 18.930 1.00 0.00 N ATOM 267 CA LEU A 20 -18.740 14.452 19.913 1.00 0.00 C ATOM 268 C LEU A 20 -20.115 15.072 19.684 1.00 0.00 C ATOM 269 O LEU A 20 -20.226 16.238 19.306 1.00 0.00 O ATOM 270 CB LEU A 20 -18.255 14.768 21.329 1.00 0.00 C ATOM 271 CG LEU A 20 -17.969 16.240 21.628 1.00 0.00 C ATOM 272 CD1 LEU A 20 -19.218 16.930 22.155 1.00 0.00 C ATOM 273 CD2 LEU A 20 -16.826 16.370 22.624 1.00 0.00 C ATOM 0 H LEU A 20 -17.332 15.822 19.178 1.00 0.00 H new ATOM 0 HA LEU A 20 -18.825 13.372 19.797 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -19.005 14.414 22.036 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.346 14.197 21.516 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.673 16.728 20.700 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -18.995 17.977 22.362 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -20.010 16.868 21.409 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -19.545 16.440 23.072 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -16.637 17.424 22.825 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.094 15.866 23.553 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.928 15.913 22.209 1.00 0.00 H new ATOM 285 N GLY A 21 -21.160 14.285 19.918 1.00 0.00 N ATOM 286 CA GLY A 21 -22.514 14.775 19.734 1.00 0.00 C ATOM 287 C GLY A 21 -23.237 14.989 21.049 1.00 0.00 C ATOM 288 O GLY A 21 -22.620 15.189 22.096 1.00 0.00 O ATOM 0 H GLY A 21 -21.094 13.317 20.232 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -22.485 15.714 19.182 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -23.075 14.065 19.126 1.00 0.00 H new ATOM 292 N PRO A 22 -24.577 14.951 21.005 1.00 0.00 N ATOM 293 CA PRO A 22 -25.414 15.142 22.193 1.00 0.00 C ATOM 294 C PRO A 22 -25.314 13.972 23.166 1.00 0.00 C ATOM 295 O PRO A 22 -25.998 13.943 24.189 1.00 0.00 O ATOM 296 CB PRO A 22 -26.829 15.241 21.618 1.00 0.00 C ATOM 297 CG PRO A 22 -26.766 14.499 20.328 1.00 0.00 C ATOM 298 CD PRO A 22 -25.378 14.717 19.792 1.00 0.00 C ATOM 0 HA PRO A 22 -25.112 16.017 22.769 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -27.562 14.800 22.293 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -27.122 16.279 21.464 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -26.964 13.438 20.478 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -27.517 14.867 19.629 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -25.021 13.850 19.236 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -25.338 15.569 19.114 1.00 0.00 H new ATOM 306 N SER A 23 -24.458 13.008 22.841 1.00 0.00 N ATOM 307 CA SER A 23 -24.272 11.834 23.685 1.00 0.00 C ATOM 308 C SER A 23 -22.812 11.391 23.685 1.00 0.00 C ATOM 309 O SER A 23 -22.275 10.985 22.655 1.00 0.00 O ATOM 310 CB SER A 23 -25.165 10.688 23.204 1.00 0.00 C ATOM 311 OG SER A 23 -26.485 10.827 23.700 1.00 0.00 O ATOM 0 H SER A 23 -23.882 13.017 21.999 1.00 0.00 H new ATOM 0 HA SER A 23 -24.552 12.101 24.704 1.00 0.00 H new ATOM 0 HB2 SER A 23 -25.183 10.670 22.114 1.00 0.00 H new ATOM 0 HB3 SER A 23 -24.748 9.736 23.532 1.00 0.00 H new ATOM 0 HG SER A 23 -26.642 11.760 23.955 1.00 0.00 H new ATOM 317 N SER A 24 -22.176 11.472 24.849 1.00 0.00 N ATOM 318 CA SER A 24 -20.777 11.084 24.985 1.00 0.00 C ATOM 319 C SER A 24 -20.546 9.684 24.426 1.00 0.00 C ATOM 320 O SER A 24 -20.878 8.686 25.065 1.00 0.00 O ATOM 321 CB SER A 24 -20.351 11.136 26.453 1.00 0.00 C ATOM 322 OG SER A 24 -19.094 10.511 26.642 1.00 0.00 O ATOM 0 H SER A 24 -22.607 11.803 25.712 1.00 0.00 H new ATOM 0 HA SER A 24 -20.173 11.789 24.414 1.00 0.00 H new ATOM 0 HB2 SER A 24 -20.298 12.174 26.783 1.00 0.00 H new ATOM 0 HB3 SER A 24 -21.102 10.643 27.070 1.00 0.00 H new ATOM 0 HG SER A 24 -18.844 10.559 27.588 1.00 0.00 H new ATOM 328 N GLU A 25 -19.973 9.619 23.227 1.00 0.00 N ATOM 329 CA GLU A 25 -19.698 8.341 22.582 1.00 0.00 C ATOM 330 C GLU A 25 -18.197 8.074 22.521 1.00 0.00 C ATOM 331 O GLU A 25 -17.391 9.004 22.495 1.00 0.00 O ATOM 332 CB GLU A 25 -20.288 8.320 21.170 1.00 0.00 C ATOM 333 CG GLU A 25 -19.724 9.396 20.258 1.00 0.00 C ATOM 334 CD GLU A 25 -18.426 8.977 19.595 1.00 0.00 C ATOM 335 OE1 GLU A 25 -18.481 8.197 18.622 1.00 0.00 O ATOM 336 OE2 GLU A 25 -17.355 9.431 20.050 1.00 0.00 O ATOM 0 H GLU A 25 -19.691 10.435 22.684 1.00 0.00 H new ATOM 0 HA GLU A 25 -20.166 7.556 23.176 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -20.103 7.343 20.723 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -21.369 8.441 21.235 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -20.459 9.638 19.490 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -19.556 10.305 20.835 1.00 0.00 H new ATOM 343 N ARG A 26 -17.829 6.797 22.500 1.00 0.00 N ATOM 344 CA ARG A 26 -16.425 6.407 22.444 1.00 0.00 C ATOM 345 C ARG A 26 -16.086 5.789 21.091 1.00 0.00 C ATOM 346 O ARG A 26 -16.888 5.055 20.514 1.00 0.00 O ATOM 347 CB ARG A 26 -16.105 5.416 23.564 1.00 0.00 C ATOM 348 CG ARG A 26 -14.657 4.952 23.571 1.00 0.00 C ATOM 349 CD ARG A 26 -14.187 4.616 24.978 1.00 0.00 C ATOM 350 NE ARG A 26 -12.750 4.361 25.028 1.00 0.00 N ATOM 351 CZ ARG A 26 -12.202 3.184 24.744 1.00 0.00 C ATOM 352 NH1 ARG A 26 -12.968 2.161 24.391 1.00 0.00 N ATOM 353 NH2 ARG A 26 -10.886 3.030 24.812 1.00 0.00 N ATOM 0 H ARG A 26 -18.483 6.015 22.521 1.00 0.00 H new ATOM 0 HA ARG A 26 -15.819 7.303 22.576 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -16.334 5.879 24.524 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -16.756 4.547 23.466 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.551 4.075 22.932 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.022 5.732 23.150 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.433 5.439 25.649 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.724 3.739 25.340 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.133 5.128 25.295 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.980 2.276 24.337 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.545 1.259 24.173 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.294 3.815 25.082 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.466 2.126 24.594 1.00 0.00 H new ATOM 367 N ALA A 27 -14.892 6.091 20.591 1.00 0.00 N ATOM 368 CA ALA A 27 -14.446 5.565 19.307 1.00 0.00 C ATOM 369 C ALA A 27 -13.613 4.301 19.491 1.00 0.00 C ATOM 370 O ALA A 27 -12.546 4.332 20.106 1.00 0.00 O ATOM 371 CB ALA A 27 -13.650 6.619 18.552 1.00 0.00 C ATOM 0 H ALA A 27 -14.216 6.697 21.056 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.329 5.305 18.723 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.323 6.212 17.595 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.277 7.494 18.379 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.779 6.907 19.140 1.00 0.00 H new ATOM 377 N THR A 28 -14.106 3.189 18.956 1.00 0.00 N ATOM 378 CA THR A 28 -13.408 1.914 19.063 1.00 0.00 C ATOM 379 C THR A 28 -12.452 1.711 17.893 1.00 0.00 C ATOM 380 O THR A 28 -12.781 1.981 16.738 1.00 0.00 O ATOM 381 CB THR A 28 -14.397 0.734 19.115 1.00 0.00 C ATOM 382 OG1 THR A 28 -15.459 1.025 20.031 1.00 0.00 O ATOM 383 CG2 THR A 28 -13.691 -0.545 19.538 1.00 0.00 C ATOM 0 H THR A 28 -14.987 3.145 18.444 1.00 0.00 H new ATOM 0 HA THR A 28 -12.839 1.942 19.992 1.00 0.00 H new ATOM 0 HB THR A 28 -14.809 0.589 18.116 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.084 0.271 20.057 1.00 0.00 H new ATOM 0 HG21 THR A 28 -14.409 -1.364 19.568 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.903 -0.779 18.823 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.254 -0.409 20.527 1.00 0.00 H new ATOM 391 N PRO A 29 -11.240 1.222 18.196 1.00 0.00 N ATOM 392 CA PRO A 29 -10.212 0.970 17.182 1.00 0.00 C ATOM 393 C PRO A 29 -10.567 -0.204 16.276 1.00 0.00 C ATOM 394 O PRO A 29 -10.195 -1.345 16.549 1.00 0.00 O ATOM 395 CB PRO A 29 -8.967 0.648 18.012 1.00 0.00 C ATOM 396 CG PRO A 29 -9.497 0.134 19.306 1.00 0.00 C ATOM 397 CD PRO A 29 -10.781 0.877 19.552 1.00 0.00 C ATOM 0 HA PRO A 29 -10.085 1.819 16.510 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -8.342 -0.095 17.517 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -8.350 1.534 18.161 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.671 -0.941 19.257 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.786 0.305 20.114 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -11.509 0.259 20.078 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.620 1.767 20.160 1.00 0.00 H new ATOM 405 N ALA A 30 -11.288 0.084 15.197 1.00 0.00 N ATOM 406 CA ALA A 30 -11.691 -0.948 14.250 1.00 0.00 C ATOM 407 C ALA A 30 -11.297 -0.570 12.826 1.00 0.00 C ATOM 408 O ALA A 30 -12.053 0.097 12.119 1.00 0.00 O ATOM 409 CB ALA A 30 -13.191 -1.190 14.339 1.00 0.00 C ATOM 0 H ALA A 30 -11.605 1.023 14.957 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.170 -1.869 14.511 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.478 -1.963 13.626 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.448 -1.513 15.348 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.723 -0.267 14.107 1.00 0.00 H new ATOM 415 N PHE A 31 -10.110 -1.000 12.412 1.00 0.00 N ATOM 416 CA PHE A 31 -9.615 -0.705 11.072 1.00 0.00 C ATOM 417 C PHE A 31 -9.733 -1.928 10.167 1.00 0.00 C ATOM 418 O PHE A 31 -9.188 -2.991 10.467 1.00 0.00 O ATOM 419 CB PHE A 31 -8.159 -0.240 11.134 1.00 0.00 C ATOM 420 CG PHE A 31 -7.173 -1.369 11.227 1.00 0.00 C ATOM 421 CD1 PHE A 31 -6.864 -1.937 12.453 1.00 0.00 C ATOM 422 CD2 PHE A 31 -6.555 -1.863 10.089 1.00 0.00 C ATOM 423 CE1 PHE A 31 -5.956 -2.976 12.541 1.00 0.00 C ATOM 424 CE2 PHE A 31 -5.647 -2.901 10.172 1.00 0.00 C ATOM 425 CZ PHE A 31 -5.348 -3.459 11.399 1.00 0.00 C ATOM 0 H PHE A 31 -9.473 -1.554 12.985 1.00 0.00 H new ATOM 0 HA PHE A 31 -10.226 0.094 10.654 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.937 0.353 10.247 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.031 0.415 11.996 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.338 -1.564 13.349 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.786 -1.432 9.126 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.722 -3.410 13.502 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.171 -3.276 9.278 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.640 -4.272 11.466 1.00 0.00 H new ATOM 435 N HIS A 32 -10.448 -1.770 9.058 1.00 0.00 N ATOM 436 CA HIS A 32 -10.637 -2.860 8.108 1.00 0.00 C ATOM 437 C HIS A 32 -9.844 -2.611 6.829 1.00 0.00 C ATOM 438 O HIS A 32 -10.306 -1.942 5.904 1.00 0.00 O ATOM 439 CB HIS A 32 -12.121 -3.026 7.778 1.00 0.00 C ATOM 440 CG HIS A 32 -12.675 -1.916 6.938 1.00 0.00 C ATOM 441 ND1 HIS A 32 -12.264 -0.636 6.779 1.00 0.00 N flip ATOM 442 CD2 HIS A 32 -13.788 -2.062 6.137 1.00 0.00 C flip ATOM 443 CE1 HIS A 32 -13.126 -0.039 5.892 1.00 0.00 C flip ATOM 444 NE2 HIS A 32 -14.036 -0.921 5.520 1.00 0.00 N flip ATOM 0 H HIS A 32 -10.906 -0.897 8.795 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.270 -3.777 8.569 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -12.265 -3.972 7.256 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -12.687 -3.085 8.708 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -14.366 -2.968 6.031 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -13.069 0.985 5.554 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -14.801 -0.750 4.867 1.00 0.00 H new ATOM 453 N PRO A 33 -8.622 -3.160 6.773 1.00 0.00 N ATOM 454 CA PRO A 33 -7.739 -3.010 5.613 1.00 0.00 C ATOM 455 C PRO A 33 -8.245 -3.777 4.396 1.00 0.00 C ATOM 456 O PRO A 33 -8.882 -4.822 4.530 1.00 0.00 O ATOM 457 CB PRO A 33 -6.411 -3.596 6.099 1.00 0.00 C ATOM 458 CG PRO A 33 -6.791 -4.553 7.176 1.00 0.00 C ATOM 459 CD PRO A 33 -8.007 -3.969 7.839 1.00 0.00 C ATOM 0 HA PRO A 33 -7.669 -1.972 5.286 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.881 -4.100 5.291 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.749 -2.817 6.477 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.007 -5.539 6.764 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.978 -4.678 7.892 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.683 -4.747 8.194 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.740 -3.360 8.703 1.00 0.00 H new ATOM 467 N VAL A 34 -7.958 -3.252 3.209 1.00 0.00 N ATOM 468 CA VAL A 34 -8.383 -3.889 1.969 1.00 0.00 C ATOM 469 C VAL A 34 -7.761 -5.272 1.819 1.00 0.00 C ATOM 470 O VAL A 34 -8.432 -6.228 1.429 1.00 0.00 O ATOM 471 CB VAL A 34 -8.010 -3.034 0.743 1.00 0.00 C ATOM 472 CG1 VAL A 34 -8.550 -3.664 -0.532 1.00 0.00 C ATOM 473 CG2 VAL A 34 -8.528 -1.613 0.906 1.00 0.00 C ATOM 0 H VAL A 34 -7.433 -2.387 3.080 1.00 0.00 H new ATOM 0 HA VAL A 34 -9.467 -3.986 2.019 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.923 -2.993 0.668 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.277 -3.046 -1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.125 -4.660 -0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.636 -3.738 -0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.255 -1.024 0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.613 -1.631 1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.087 -1.165 1.797 1.00 0.00 H new ATOM 483 N CYS A 35 -6.474 -5.372 2.133 1.00 0.00 N ATOM 484 CA CYS A 35 -5.759 -6.640 2.033 1.00 0.00 C ATOM 485 C CYS A 35 -4.335 -6.505 2.563 1.00 0.00 C ATOM 486 O CYS A 35 -3.939 -5.441 3.037 1.00 0.00 O ATOM 487 CB CYS A 35 -5.732 -7.121 0.582 1.00 0.00 C ATOM 488 SG CYS A 35 -5.707 -8.920 0.401 1.00 0.00 S ATOM 0 H CYS A 35 -5.904 -4.591 2.459 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.286 -7.375 2.642 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.606 -6.727 0.063 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.854 -6.705 0.089 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.544 -9.471 1.567 1.00 0.00 H new ATOM 494 N GLN A 36 -3.573 -7.590 2.480 1.00 0.00 N ATOM 495 CA GLN A 36 -2.194 -7.592 2.954 1.00 0.00 C ATOM 496 C GLN A 36 -1.224 -7.853 1.806 1.00 0.00 C ATOM 497 O GLN A 36 -1.348 -8.845 1.089 1.00 0.00 O ATOM 498 CB GLN A 36 -2.009 -8.650 4.044 1.00 0.00 C ATOM 499 CG GLN A 36 -0.709 -8.503 4.820 1.00 0.00 C ATOM 500 CD GLN A 36 -0.618 -9.460 5.992 1.00 0.00 C ATOM 501 OE1 GLN A 36 -0.495 -8.913 7.195 1.00 0.00 O flip ATOM 502 NE2 GLN A 36 -0.657 -10.678 5.817 1.00 0.00 N flip ATOM 0 H GLN A 36 -3.886 -8.479 2.089 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.978 -6.608 3.371 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.846 -8.593 4.740 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.040 -9.639 3.588 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.132 -8.676 4.149 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.621 -7.479 5.184 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.752 -11.055 4.874 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.594 -11.310 6.615 1.00 0.00 H new ATOM 511 N VAL A 37 -0.259 -6.954 1.638 1.00 0.00 N ATOM 512 CA VAL A 37 0.733 -7.087 0.578 1.00 0.00 C ATOM 513 C VAL A 37 2.128 -7.299 1.154 1.00 0.00 C ATOM 514 O VAL A 37 2.348 -7.130 2.354 1.00 0.00 O ATOM 515 CB VAL A 37 0.749 -5.846 -0.335 1.00 0.00 C ATOM 516 CG1 VAL A 37 -0.594 -5.675 -1.028 1.00 0.00 C ATOM 517 CG2 VAL A 37 1.108 -4.603 0.465 1.00 0.00 C ATOM 0 H VAL A 37 -0.143 -6.126 2.222 1.00 0.00 H new ATOM 0 HA VAL A 37 0.451 -7.959 -0.012 1.00 0.00 H new ATOM 0 HB VAL A 37 1.510 -5.990 -1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.563 -4.793 -1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.806 -6.556 -1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.377 -5.553 -0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.115 -3.735 -0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.371 -4.453 1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.095 -4.729 0.909 1.00 0.00 H new ATOM 527 N ILE A 38 3.069 -7.670 0.291 1.00 0.00 N ATOM 528 CA ILE A 38 4.444 -7.903 0.714 1.00 0.00 C ATOM 529 C ILE A 38 5.406 -6.958 0.002 1.00 0.00 C ATOM 530 O ILE A 38 5.350 -6.802 -1.217 1.00 0.00 O ATOM 531 CB ILE A 38 4.876 -9.356 0.446 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.863 -9.824 1.517 1.00 0.00 C ATOM 533 CG2 ILE A 38 5.494 -9.478 -0.940 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.778 -11.306 1.812 1.00 0.00 C ATOM 0 H ILE A 38 2.904 -7.815 -0.705 1.00 0.00 H new ATOM 0 HA ILE A 38 4.481 -7.714 1.787 1.00 0.00 H new ATOM 0 HB ILE A 38 3.994 -9.995 0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.876 -9.583 1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.680 -9.268 2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.794 -10.511 -1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.763 -9.181 -1.692 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.368 -8.830 -1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.506 -11.566 2.580 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.776 -11.550 2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.991 -11.870 0.904 1.00 0.00 H new ATOM 546 N ALA A 39 6.289 -6.331 0.772 1.00 0.00 N ATOM 547 CA ALA A 39 7.267 -5.405 0.215 1.00 0.00 C ATOM 548 C ALA A 39 8.285 -6.137 -0.653 1.00 0.00 C ATOM 549 O ALA A 39 9.175 -6.817 -0.142 1.00 0.00 O ATOM 550 CB ALA A 39 7.970 -4.645 1.330 1.00 0.00 C ATOM 0 H ALA A 39 6.347 -6.448 1.784 1.00 0.00 H new ATOM 0 HA ALA A 39 6.736 -4.692 -0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.698 -3.957 0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.235 -4.082 1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.481 -5.350 1.985 1.00 0.00 H new ATOM 556 N MET A 40 8.147 -5.994 -1.967 1.00 0.00 N ATOM 557 CA MET A 40 9.056 -6.643 -2.905 1.00 0.00 C ATOM 558 C MET A 40 10.481 -6.129 -2.724 1.00 0.00 C ATOM 559 O MET A 40 11.444 -6.890 -2.828 1.00 0.00 O ATOM 560 CB MET A 40 8.595 -6.403 -4.344 1.00 0.00 C ATOM 561 CG MET A 40 7.212 -6.962 -4.639 1.00 0.00 C ATOM 562 SD MET A 40 7.007 -7.429 -6.368 1.00 0.00 S ATOM 563 CE MET A 40 7.404 -5.886 -7.186 1.00 0.00 C ATOM 0 H MET A 40 7.415 -5.435 -2.406 1.00 0.00 H new ATOM 0 HA MET A 40 9.045 -7.714 -2.701 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.595 -5.331 -4.543 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.314 -6.854 -5.028 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.034 -7.833 -4.008 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.460 -6.218 -4.376 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.589 -5.608 -7.854 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.544 -5.104 -6.440 1.00 0.00 H new ATOM 0 HE3 MET A 40 8.321 -6.005 -7.762 1.00 0.00 H new ATOM 573 N TYR A 41 10.609 -4.835 -2.452 1.00 0.00 N ATOM 574 CA TYR A 41 11.917 -4.220 -2.259 1.00 0.00 C ATOM 575 C TYR A 41 11.917 -3.314 -1.032 1.00 0.00 C ATOM 576 O TYR A 41 10.891 -2.737 -0.672 1.00 0.00 O ATOM 577 CB TYR A 41 12.314 -3.418 -3.499 1.00 0.00 C ATOM 578 CG TYR A 41 11.833 -4.029 -4.796 1.00 0.00 C ATOM 579 CD1 TYR A 41 12.581 -5.001 -5.449 1.00 0.00 C ATOM 580 CD2 TYR A 41 10.629 -3.635 -5.368 1.00 0.00 C ATOM 581 CE1 TYR A 41 12.146 -5.561 -6.634 1.00 0.00 C ATOM 582 CE2 TYR A 41 10.185 -4.191 -6.552 1.00 0.00 C ATOM 583 CZ TYR A 41 10.947 -5.153 -7.181 1.00 0.00 C ATOM 584 OH TYR A 41 10.509 -5.710 -8.361 1.00 0.00 O ATOM 0 H TYR A 41 9.823 -4.192 -2.360 1.00 0.00 H new ATOM 0 HA TYR A 41 12.645 -5.016 -2.101 1.00 0.00 H new ATOM 0 HB2 TYR A 41 11.913 -2.408 -3.412 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.400 -3.328 -3.531 1.00 0.00 H new ATOM 0 HD1 TYR A 41 13.519 -5.324 -5.022 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.030 -2.881 -4.878 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.741 -6.314 -7.130 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.247 -3.874 -6.983 1.00 0.00 H new ATOM 0 HH TYR A 41 10.841 -6.629 -8.432 1.00 0.00 H new ATOM 594 N ASP A 42 13.076 -3.195 -0.393 1.00 0.00 N ATOM 595 CA ASP A 42 13.213 -2.358 0.793 1.00 0.00 C ATOM 596 C ASP A 42 12.941 -0.894 0.460 1.00 0.00 C ATOM 597 O ASP A 42 13.782 -0.214 -0.128 1.00 0.00 O ATOM 598 CB ASP A 42 14.613 -2.507 1.390 1.00 0.00 C ATOM 599 CG ASP A 42 15.705 -2.160 0.397 1.00 0.00 C ATOM 600 OD1 ASP A 42 15.467 -2.302 -0.820 1.00 0.00 O ATOM 601 OD2 ASP A 42 16.799 -1.748 0.838 1.00 0.00 O ATOM 0 H ASP A 42 13.934 -3.668 -0.677 1.00 0.00 H new ATOM 0 HA ASP A 42 12.477 -2.687 1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.703 -1.862 2.264 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.751 -3.532 1.734 1.00 0.00 H new ATOM 606 N TYR A 43 11.761 -0.416 0.839 1.00 0.00 N ATOM 607 CA TYR A 43 11.377 0.966 0.577 1.00 0.00 C ATOM 608 C TYR A 43 11.871 1.888 1.688 1.00 0.00 C ATOM 609 O TYR A 43 11.713 1.593 2.872 1.00 0.00 O ATOM 610 CB TYR A 43 9.858 1.079 0.444 1.00 0.00 C ATOM 611 CG TYR A 43 9.403 2.340 -0.255 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.554 3.584 0.346 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.822 2.288 -1.517 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.139 4.739 -0.289 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.406 3.438 -2.159 1.00 0.00 C ATOM 616 CZ TYR A 43 8.567 4.661 -1.542 1.00 0.00 C ATOM 617 OH TYR A 43 8.152 5.808 -2.178 1.00 0.00 O ATOM 0 H TYR A 43 11.054 -0.965 1.328 1.00 0.00 H new ATOM 0 HA TYR A 43 11.841 1.274 -0.360 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.485 0.215 -0.105 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.411 1.043 1.438 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.003 3.649 1.326 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.694 1.332 -2.004 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.262 5.698 0.193 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.957 3.380 -3.139 1.00 0.00 H new ATOM 0 HH TYR A 43 7.180 5.780 -2.301 1.00 0.00 H new ATOM 627 N ALA A 44 12.470 3.008 1.296 1.00 0.00 N ATOM 628 CA ALA A 44 12.985 3.976 2.256 1.00 0.00 C ATOM 629 C ALA A 44 12.417 5.367 1.993 1.00 0.00 C ATOM 630 O ALA A 44 12.765 6.012 1.005 1.00 0.00 O ATOM 631 CB ALA A 44 14.506 4.007 2.211 1.00 0.00 C ATOM 0 H ALA A 44 12.610 3.267 0.320 1.00 0.00 H new ATOM 0 HA ALA A 44 12.668 3.666 3.252 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.877 4.734 2.933 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.897 3.020 2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.835 4.289 1.211 1.00 0.00 H new ATOM 637 N ALA A 45 11.542 5.822 2.883 1.00 0.00 N ATOM 638 CA ALA A 45 10.927 7.136 2.747 1.00 0.00 C ATOM 639 C ALA A 45 11.985 8.232 2.675 1.00 0.00 C ATOM 640 O ALA A 45 12.633 8.548 3.671 1.00 0.00 O ATOM 641 CB ALA A 45 9.974 7.396 3.904 1.00 0.00 C ATOM 0 H ALA A 45 11.243 5.300 3.706 1.00 0.00 H new ATOM 0 HA ALA A 45 10.362 7.150 1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.522 8.381 3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.192 6.637 3.909 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.524 7.357 4.844 1.00 0.00 H new ATOM 647 N ASN A 46 12.155 8.807 1.489 1.00 0.00 N ATOM 648 CA ASN A 46 13.136 9.867 1.287 1.00 0.00 C ATOM 649 C ASN A 46 12.730 11.134 2.034 1.00 0.00 C ATOM 650 O ASN A 46 13.552 12.019 2.269 1.00 0.00 O ATOM 651 CB ASN A 46 13.291 10.170 -0.205 1.00 0.00 C ATOM 652 CG ASN A 46 14.243 9.211 -0.893 1.00 0.00 C ATOM 653 OD1 ASN A 46 15.452 9.440 -0.932 1.00 0.00 O ATOM 654 ND2 ASN A 46 13.701 8.130 -1.441 1.00 0.00 N ATOM 0 H ASN A 46 11.626 8.557 0.653 1.00 0.00 H new ATOM 0 HA ASN A 46 14.092 9.523 1.683 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.315 10.117 -0.687 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.654 11.190 -0.330 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.292 7.449 -1.918 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.694 7.980 -1.385 1.00 0.00 H new ATOM 661 N ASN A 47 11.456 11.212 2.406 1.00 0.00 N ATOM 662 CA ASN A 47 10.940 12.370 3.127 1.00 0.00 C ATOM 663 C ASN A 47 10.096 11.936 4.322 1.00 0.00 C ATOM 664 O ASN A 47 9.964 10.744 4.600 1.00 0.00 O ATOM 665 CB ASN A 47 10.107 13.250 2.193 1.00 0.00 C ATOM 666 CG ASN A 47 9.070 12.455 1.424 1.00 0.00 C ATOM 667 OD1 ASN A 47 8.568 11.439 1.904 1.00 0.00 O ATOM 668 ND2 ASN A 47 8.743 12.916 0.222 1.00 0.00 N ATOM 0 H ASN A 47 10.763 10.487 2.220 1.00 0.00 H new ATOM 0 HA ASN A 47 11.790 12.945 3.495 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.609 14.024 2.776 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.768 13.756 1.490 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.050 12.423 -0.342 1.00 0.00 H new ATOM 0 HD22 ASN A 47 9.184 13.763 -0.137 1.00 0.00 H new ATOM 675 N GLU A 48 9.527 12.911 5.023 1.00 0.00 N ATOM 676 CA GLU A 48 8.695 12.628 6.187 1.00 0.00 C ATOM 677 C GLU A 48 7.234 12.457 5.784 1.00 0.00 C ATOM 678 O GLU A 48 6.326 12.765 6.556 1.00 0.00 O ATOM 679 CB GLU A 48 8.824 13.752 7.218 1.00 0.00 C ATOM 680 CG GLU A 48 10.233 13.925 7.758 1.00 0.00 C ATOM 681 CD GLU A 48 10.353 15.099 8.710 1.00 0.00 C ATOM 682 OE1 GLU A 48 10.428 16.249 8.228 1.00 0.00 O ATOM 683 OE2 GLU A 48 10.372 14.867 9.937 1.00 0.00 O ATOM 0 H GLU A 48 9.626 13.903 4.806 1.00 0.00 H new ATOM 0 HA GLU A 48 9.042 11.695 6.631 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.501 14.689 6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.148 13.551 8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.536 13.013 8.272 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.922 14.065 6.925 1.00 0.00 H new ATOM 690 N ASP A 49 7.015 11.965 4.569 1.00 0.00 N ATOM 691 CA ASP A 49 5.665 11.753 4.062 1.00 0.00 C ATOM 692 C ASP A 49 5.492 10.323 3.559 1.00 0.00 C ATOM 693 O ASP A 49 4.397 9.765 3.612 1.00 0.00 O ATOM 694 CB ASP A 49 5.357 12.743 2.938 1.00 0.00 C ATOM 695 CG ASP A 49 4.071 12.409 2.208 1.00 0.00 C ATOM 696 OD1 ASP A 49 3.139 11.889 2.856 1.00 0.00 O ATOM 697 OD2 ASP A 49 3.997 12.669 0.989 1.00 0.00 O ATOM 0 H ASP A 49 7.756 11.706 3.917 1.00 0.00 H new ATOM 0 HA ASP A 49 4.966 11.918 4.882 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.285 13.748 3.353 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.183 12.750 2.227 1.00 0.00 H new ATOM 702 N GLU A 50 6.581 9.738 3.069 1.00 0.00 N ATOM 703 CA GLU A 50 6.548 8.374 2.555 1.00 0.00 C ATOM 704 C GLU A 50 6.725 7.362 3.683 1.00 0.00 C ATOM 705 O GLU A 50 7.090 7.721 4.803 1.00 0.00 O ATOM 706 CB GLU A 50 7.640 8.176 1.501 1.00 0.00 C ATOM 707 CG GLU A 50 7.187 8.495 0.087 1.00 0.00 C ATOM 708 CD GLU A 50 8.333 8.506 -0.905 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.297 7.737 -0.705 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.268 9.282 -1.881 1.00 0.00 O ATOM 0 H GLU A 50 7.495 10.187 3.017 1.00 0.00 H new ATOM 0 HA GLU A 50 5.574 8.211 2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.493 8.807 1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.986 7.143 1.538 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.446 7.760 -0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.695 9.467 0.078 1.00 0.00 H new ATOM 717 N LEU A 51 6.464 6.095 3.380 1.00 0.00 N ATOM 718 CA LEU A 51 6.594 5.030 4.368 1.00 0.00 C ATOM 719 C LEU A 51 7.887 4.248 4.160 1.00 0.00 C ATOM 720 O LEU A 51 8.142 3.729 3.073 1.00 0.00 O ATOM 721 CB LEU A 51 5.394 4.084 4.287 1.00 0.00 C ATOM 722 CG LEU A 51 4.952 3.447 5.605 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.967 2.317 5.348 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.157 2.939 6.383 1.00 0.00 C ATOM 0 H LEU A 51 6.161 5.780 2.458 1.00 0.00 H new ATOM 0 HA LEU A 51 6.623 5.487 5.357 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.550 4.635 3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.632 3.287 3.583 1.00 0.00 H new ATOM 0 HG LEU A 51 4.452 4.208 6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.664 1.876 6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.090 2.709 4.833 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.441 1.555 4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.823 2.489 7.318 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.685 2.193 5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.827 3.771 6.600 1.00 0.00 H new ATOM 736 N SER A 52 8.699 4.167 5.209 1.00 0.00 N ATOM 737 CA SER A 52 9.967 3.450 5.141 1.00 0.00 C ATOM 738 C SER A 52 9.814 2.025 5.664 1.00 0.00 C ATOM 739 O SER A 52 9.526 1.812 6.842 1.00 0.00 O ATOM 740 CB SER A 52 11.039 4.189 5.945 1.00 0.00 C ATOM 741 OG SER A 52 10.670 4.294 7.309 1.00 0.00 O ATOM 0 H SER A 52 8.501 4.589 6.116 1.00 0.00 H new ATOM 0 HA SER A 52 10.275 3.404 4.096 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.989 3.661 5.861 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.189 5.185 5.528 1.00 0.00 H new ATOM 0 HG SER A 52 10.198 3.480 7.584 1.00 0.00 H new ATOM 747 N PHE A 53 10.010 1.053 4.780 1.00 0.00 N ATOM 748 CA PHE A 53 9.893 -0.353 5.152 1.00 0.00 C ATOM 749 C PHE A 53 10.952 -1.192 4.442 1.00 0.00 C ATOM 750 O PHE A 53 11.665 -0.701 3.568 1.00 0.00 O ATOM 751 CB PHE A 53 8.497 -0.878 4.811 1.00 0.00 C ATOM 752 CG PHE A 53 8.072 -0.581 3.401 1.00 0.00 C ATOM 753 CD1 PHE A 53 8.357 -1.470 2.377 1.00 0.00 C ATOM 754 CD2 PHE A 53 7.388 0.585 3.101 1.00 0.00 C ATOM 755 CE1 PHE A 53 7.968 -1.199 1.079 1.00 0.00 C ATOM 756 CE2 PHE A 53 6.996 0.862 1.804 1.00 0.00 C ATOM 757 CZ PHE A 53 7.285 -0.032 0.792 1.00 0.00 C ATOM 0 H PHE A 53 10.250 1.212 3.802 1.00 0.00 H new ATOM 0 HA PHE A 53 10.051 -0.434 6.227 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.475 -1.956 4.969 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.775 -0.440 5.500 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.889 -2.384 2.596 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.158 1.286 3.889 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.198 -1.899 0.289 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.465 1.776 1.583 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.978 0.180 -0.222 1.00 0.00 H new ATOM 767 N SER A 54 11.047 -2.461 4.826 1.00 0.00 N ATOM 768 CA SER A 54 12.021 -3.369 4.231 1.00 0.00 C ATOM 769 C SER A 54 11.322 -4.517 3.509 1.00 0.00 C ATOM 770 O SER A 54 10.184 -4.865 3.825 1.00 0.00 O ATOM 771 CB SER A 54 12.957 -3.923 5.307 1.00 0.00 C ATOM 772 OG SER A 54 13.882 -2.937 5.734 1.00 0.00 O ATOM 0 H SER A 54 10.461 -2.884 5.546 1.00 0.00 H new ATOM 0 HA SER A 54 12.607 -2.808 3.503 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.372 -4.271 6.159 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.495 -4.786 4.916 1.00 0.00 H new ATOM 0 HG SER A 54 14.468 -3.315 6.423 1.00 0.00 H new ATOM 778 N LYS A 55 12.013 -5.103 2.536 1.00 0.00 N ATOM 779 CA LYS A 55 11.462 -6.213 1.768 1.00 0.00 C ATOM 780 C LYS A 55 10.815 -7.243 2.688 1.00 0.00 C ATOM 781 O LYS A 55 11.445 -7.740 3.620 1.00 0.00 O ATOM 782 CB LYS A 55 12.560 -6.877 0.934 1.00 0.00 C ATOM 783 CG LYS A 55 12.101 -8.134 0.215 1.00 0.00 C ATOM 784 CD LYS A 55 13.146 -8.623 -0.774 1.00 0.00 C ATOM 785 CE LYS A 55 13.038 -10.123 -1.002 1.00 0.00 C ATOM 786 NZ LYS A 55 11.757 -10.493 -1.666 1.00 0.00 N ATOM 0 H LYS A 55 12.956 -4.827 2.261 1.00 0.00 H new ATOM 0 HA LYS A 55 10.697 -5.816 1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.929 -6.162 0.199 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.398 -7.126 1.585 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.895 -8.917 0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.167 -7.934 -0.310 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.024 -8.100 -1.722 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.142 -8.381 -0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.875 -10.458 -1.615 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.115 -10.642 -0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.730 -11.521 -1.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.959 -10.211 -1.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.687 -10.005 -2.582 1.00 0.00 H new ATOM 800 N GLY A 56 9.552 -7.560 2.418 1.00 0.00 N ATOM 801 CA GLY A 56 8.841 -8.531 3.230 1.00 0.00 C ATOM 802 C GLY A 56 8.303 -7.930 4.513 1.00 0.00 C ATOM 803 O GLY A 56 8.266 -8.595 5.549 1.00 0.00 O ATOM 0 H GLY A 56 9.009 -7.162 1.652 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.015 -8.947 2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.510 -9.357 3.472 1.00 0.00 H new ATOM 807 N GLN A 57 7.886 -6.670 4.446 1.00 0.00 N ATOM 808 CA GLN A 57 7.350 -5.980 5.613 1.00 0.00 C ATOM 809 C GLN A 57 5.845 -6.198 5.731 1.00 0.00 C ATOM 810 O GLN A 57 5.201 -6.672 4.794 1.00 0.00 O ATOM 811 CB GLN A 57 7.655 -4.483 5.531 1.00 0.00 C ATOM 812 CG GLN A 57 7.277 -3.716 6.788 1.00 0.00 C ATOM 813 CD GLN A 57 7.900 -4.301 8.039 1.00 0.00 C ATOM 814 OE1 GLN A 57 7.547 -5.401 8.467 1.00 0.00 O ATOM 815 NE2 GLN A 57 8.834 -3.568 8.634 1.00 0.00 N ATOM 0 H GLN A 57 7.909 -6.106 3.596 1.00 0.00 H new ATOM 0 HA GLN A 57 7.829 -6.394 6.500 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.719 -4.347 5.339 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.121 -4.058 4.681 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.590 -2.677 6.683 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.192 -3.713 6.894 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.096 -2.662 8.245 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.289 -3.911 9.480 1.00 0.00 H new ATOM 824 N LEU A 58 5.290 -5.851 6.887 1.00 0.00 N ATOM 825 CA LEU A 58 3.860 -6.009 7.128 1.00 0.00 C ATOM 826 C LEU A 58 3.090 -4.780 6.657 1.00 0.00 C ATOM 827 O LEU A 58 2.985 -3.787 7.378 1.00 0.00 O ATOM 828 CB LEU A 58 3.598 -6.251 8.615 1.00 0.00 C ATOM 829 CG LEU A 58 2.214 -5.848 9.126 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.128 -6.385 8.207 1.00 0.00 C ATOM 831 CD2 LEU A 58 2.006 -6.346 10.549 1.00 0.00 C ATOM 0 H LEU A 58 5.809 -5.458 7.672 1.00 0.00 H new ATOM 0 HA LEU A 58 3.513 -6.872 6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.745 -7.311 8.822 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.348 -5.707 9.189 1.00 0.00 H new ATOM 0 HG LEU A 58 2.152 -4.760 9.130 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.150 -6.088 8.587 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.266 -5.980 7.205 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.188 -7.473 8.170 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.016 -6.050 10.897 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.088 -7.433 10.570 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.764 -5.912 11.201 1.00 0.00 H new ATOM 843 N ILE A 59 2.550 -4.854 5.445 1.00 0.00 N ATOM 844 CA ILE A 59 1.786 -3.749 4.880 1.00 0.00 C ATOM 845 C ILE A 59 0.346 -4.164 4.598 1.00 0.00 C ATOM 846 O ILE A 59 0.097 -5.199 3.982 1.00 0.00 O ATOM 847 CB ILE A 59 2.424 -3.231 3.578 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.798 -2.622 3.864 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.514 -2.210 2.912 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.705 -2.583 2.655 1.00 0.00 C ATOM 0 H ILE A 59 2.628 -5.668 4.835 1.00 0.00 H new ATOM 0 HA ILE A 59 1.793 -2.949 5.621 1.00 0.00 H new ATOM 0 HB ILE A 59 2.555 -4.071 2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.666 -1.608 4.242 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.283 -3.195 4.654 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.979 -1.853 1.993 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.556 -2.674 2.678 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.354 -1.370 3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.661 -2.139 2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.868 -3.597 2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.241 -1.985 1.871 1.00 0.00 H new ATOM 862 N ASN A 60 -0.600 -3.348 5.052 1.00 0.00 N ATOM 863 CA ASN A 60 -2.016 -3.629 4.847 1.00 0.00 C ATOM 864 C ASN A 60 -2.683 -2.511 4.051 1.00 0.00 C ATOM 865 O ASN A 60 -2.994 -1.450 4.592 1.00 0.00 O ATOM 866 CB ASN A 60 -2.722 -3.804 6.192 1.00 0.00 C ATOM 867 CG ASN A 60 -2.234 -5.026 6.947 1.00 0.00 C ATOM 868 OD1 ASN A 60 -1.552 -5.884 6.386 1.00 0.00 O ATOM 869 ND2 ASN A 60 -2.583 -5.110 8.225 1.00 0.00 N ATOM 0 H ASN A 60 -0.411 -2.487 5.564 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.099 -4.555 4.278 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.561 -2.915 6.802 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.796 -3.887 6.027 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.285 -5.910 8.784 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.149 -4.375 8.648 1.00 0.00 H new ATOM 876 N VAL A 61 -2.901 -2.757 2.763 1.00 0.00 N ATOM 877 CA VAL A 61 -3.533 -1.773 1.893 1.00 0.00 C ATOM 878 C VAL A 61 -4.916 -1.391 2.409 1.00 0.00 C ATOM 879 O VAL A 61 -5.837 -2.206 2.405 1.00 0.00 O ATOM 880 CB VAL A 61 -3.662 -2.299 0.451 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.345 -1.268 -0.434 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.295 -2.669 -0.105 1.00 0.00 C ATOM 0 H VAL A 61 -2.649 -3.630 2.299 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.892 -0.892 1.894 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.279 -3.197 0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.427 -1.657 -1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.341 -1.057 -0.044 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.757 -0.350 -0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.405 -3.039 -1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.652 -1.789 -0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.847 -3.445 0.516 1.00 0.00 H new ATOM 892 N MET A 62 -5.053 -0.145 2.851 1.00 0.00 N ATOM 893 CA MET A 62 -6.325 0.346 3.368 1.00 0.00 C ATOM 894 C MET A 62 -7.111 1.071 2.280 1.00 0.00 C ATOM 895 O MET A 62 -8.323 0.900 2.158 1.00 0.00 O ATOM 896 CB MET A 62 -6.090 1.283 4.554 1.00 0.00 C ATOM 897 CG MET A 62 -5.242 0.668 5.656 1.00 0.00 C ATOM 898 SD MET A 62 -6.233 -0.167 6.910 1.00 0.00 S ATOM 899 CE MET A 62 -5.774 0.757 8.374 1.00 0.00 C ATOM 0 H MET A 62 -4.299 0.542 2.861 1.00 0.00 H new ATOM 0 HA MET A 62 -6.908 -0.512 3.702 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.605 2.192 4.198 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.053 1.578 4.970 1.00 0.00 H new ATOM 0 HG2 MET A 62 -4.543 -0.044 5.217 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.646 1.449 6.129 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.230 0.107 9.059 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.139 1.597 8.090 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.673 1.131 8.865 1.00 0.00 H new ATOM 909 N ASN A 63 -6.412 1.882 1.492 1.00 0.00 N ATOM 910 CA ASN A 63 -7.046 2.634 0.415 1.00 0.00 C ATOM 911 C ASN A 63 -6.219 2.551 -0.865 1.00 0.00 C ATOM 912 O ASN A 63 -5.220 3.253 -1.019 1.00 0.00 O ATOM 913 CB ASN A 63 -7.228 4.096 0.824 1.00 0.00 C ATOM 914 CG ASN A 63 -8.155 4.848 -0.112 1.00 0.00 C ATOM 915 OD1 ASN A 63 -7.708 5.633 -0.948 1.00 0.00 O ATOM 916 ND2 ASN A 63 -9.454 4.609 0.025 1.00 0.00 N ATOM 0 H ASN A 63 -5.407 2.035 1.579 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.025 2.193 0.224 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.626 4.140 1.838 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.256 4.589 0.842 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.126 5.085 -0.577 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.779 3.950 0.732 1.00 0.00 H new ATOM 923 N LYS A 64 -6.644 1.688 -1.782 1.00 0.00 N ATOM 924 CA LYS A 64 -5.946 1.514 -3.051 1.00 0.00 C ATOM 925 C LYS A 64 -6.787 2.036 -4.211 1.00 0.00 C ATOM 926 O LYS A 64 -6.889 1.392 -5.255 1.00 0.00 O ATOM 927 CB LYS A 64 -5.611 0.037 -3.273 1.00 0.00 C ATOM 928 CG LYS A 64 -6.809 -0.886 -3.133 1.00 0.00 C ATOM 929 CD LYS A 64 -6.419 -2.340 -3.333 1.00 0.00 C ATOM 930 CE LYS A 64 -6.558 -2.759 -4.789 1.00 0.00 C ATOM 931 NZ LYS A 64 -5.976 -1.749 -5.715 1.00 0.00 N ATOM 0 H LYS A 64 -7.469 1.098 -1.670 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.020 2.088 -3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.184 -0.084 -4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.845 -0.265 -2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.253 -0.760 -2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.570 -0.609 -3.862 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.390 -2.490 -3.007 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.047 -2.976 -2.709 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.062 -3.718 -4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.612 -2.904 -5.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.091 -2.072 -6.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.466 -0.840 -5.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.964 -1.629 -5.506 1.00 0.00 H new ATOM 945 N ASP A 65 -7.387 3.206 -4.021 1.00 0.00 N ATOM 946 CA ASP A 65 -8.217 3.816 -5.054 1.00 0.00 C ATOM 947 C ASP A 65 -7.427 4.005 -6.345 1.00 0.00 C ATOM 948 O ASP A 65 -7.954 3.811 -7.441 1.00 0.00 O ATOM 949 CB ASP A 65 -8.760 5.162 -4.572 1.00 0.00 C ATOM 950 CG ASP A 65 -9.277 6.019 -5.711 1.00 0.00 C ATOM 951 OD1 ASP A 65 -10.042 5.495 -6.547 1.00 0.00 O ATOM 952 OD2 ASP A 65 -8.916 7.213 -5.767 1.00 0.00 O ATOM 0 H ASP A 65 -7.314 3.751 -3.162 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.053 3.147 -5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -9.564 4.991 -3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.973 5.700 -4.044 1.00 0.00 H new ATOM 957 N ASP A 66 -6.162 4.386 -6.208 1.00 0.00 N ATOM 958 CA ASP A 66 -5.299 4.601 -7.364 1.00 0.00 C ATOM 959 C ASP A 66 -4.386 3.401 -7.592 1.00 0.00 C ATOM 960 O ASP A 66 -3.640 2.981 -6.707 1.00 0.00 O ATOM 961 CB ASP A 66 -4.461 5.866 -7.173 1.00 0.00 C ATOM 962 CG ASP A 66 -5.207 7.122 -7.579 1.00 0.00 C ATOM 963 OD1 ASP A 66 -6.452 7.129 -7.483 1.00 0.00 O ATOM 964 OD2 ASP A 66 -4.546 8.098 -7.992 1.00 0.00 O ATOM 0 H ASP A 66 -5.711 4.552 -5.308 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.933 4.724 -8.242 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.163 5.946 -6.128 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.546 5.784 -7.760 1.00 0.00 H new ATOM 969 N PRO A 67 -4.445 2.833 -8.806 1.00 0.00 N ATOM 970 CA PRO A 67 -3.630 1.673 -9.178 1.00 0.00 C ATOM 971 C PRO A 67 -2.151 2.020 -9.304 1.00 0.00 C ATOM 972 O PRO A 67 -1.333 1.172 -9.663 1.00 0.00 O ATOM 973 CB PRO A 67 -4.201 1.260 -10.537 1.00 0.00 C ATOM 974 CG PRO A 67 -4.799 2.507 -11.091 1.00 0.00 C ATOM 975 CD PRO A 67 -5.311 3.282 -9.909 1.00 0.00 C ATOM 0 HA PRO A 67 -3.673 0.886 -8.425 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.422 0.870 -11.192 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.950 0.475 -10.430 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.057 3.083 -11.644 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.606 2.277 -11.786 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.233 4.357 -10.069 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.360 3.065 -9.710 1.00 0.00 H new ATOM 983 N ASP A 68 -1.813 3.270 -9.007 1.00 0.00 N ATOM 984 CA ASP A 68 -0.431 3.728 -9.086 1.00 0.00 C ATOM 985 C ASP A 68 0.229 3.701 -7.711 1.00 0.00 C ATOM 986 O ASP A 68 1.341 3.196 -7.556 1.00 0.00 O ATOM 987 CB ASP A 68 -0.373 5.142 -9.666 1.00 0.00 C ATOM 988 CG ASP A 68 -1.445 5.384 -10.710 1.00 0.00 C ATOM 989 OD1 ASP A 68 -1.818 4.421 -11.411 1.00 0.00 O ATOM 990 OD2 ASP A 68 -1.910 6.537 -10.827 1.00 0.00 O ATOM 0 H ASP A 68 -2.477 3.984 -8.709 1.00 0.00 H new ATOM 0 HA ASP A 68 0.114 3.051 -9.744 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.485 5.867 -8.860 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.608 5.309 -10.111 1.00 0.00 H new ATOM 995 N TRP A 69 -0.461 4.249 -6.718 1.00 0.00 N ATOM 996 CA TRP A 69 0.060 4.289 -5.356 1.00 0.00 C ATOM 997 C TRP A 69 -0.986 3.802 -4.359 1.00 0.00 C ATOM 998 O TRP A 69 -2.169 4.122 -4.480 1.00 0.00 O ATOM 999 CB TRP A 69 0.501 5.709 -4.998 1.00 0.00 C ATOM 1000 CG TRP A 69 1.880 6.042 -5.481 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.279 6.200 -6.777 1.00 0.00 C ATOM 1002 CD2 TRP A 69 3.043 6.256 -4.673 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.619 6.498 -6.824 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.111 6.540 -5.546 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.285 6.238 -3.297 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.399 6.801 -5.086 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.564 6.497 -2.842 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.607 6.776 -3.734 1.00 0.00 C ATOM 0 H TRP A 69 -1.382 4.672 -6.830 1.00 0.00 H new ATOM 0 HA TRP A 69 0.922 3.624 -5.304 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.207 6.420 -5.424 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.463 5.831 -3.916 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.635 6.105 -7.639 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.160 6.662 -7.673 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.487 6.025 -2.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.205 7.016 -5.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.763 6.484 -1.780 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.595 6.975 -3.347 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.543 3.028 -3.375 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.442 2.498 -2.356 1.00 0.00 C ATOM 1021 C TRP A 70 -1.034 2.976 -0.967 1.00 0.00 C ATOM 1022 O TRP A 70 0.071 3.483 -0.776 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.451 0.969 -2.401 1.00 0.00 C ATOM 1024 CG TRP A 70 -2.090 0.414 -3.638 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.857 1.094 -4.539 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -2.018 -0.937 -4.107 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.267 0.248 -5.541 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.765 -1.003 -5.300 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.395 -2.096 -3.638 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.904 -2.183 -6.025 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.534 -3.266 -4.359 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -2.283 -3.303 -5.542 1.00 0.00 C ATOM 0 H TRP A 70 0.433 2.753 -3.261 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.446 2.867 -2.565 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.426 0.605 -2.336 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.980 0.590 -1.526 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.105 2.143 -4.474 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.851 0.509 -6.336 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.815 -2.078 -2.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.482 -2.214 -6.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -1.057 -4.168 -4.004 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.372 -4.233 -6.083 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.932 2.811 -0.002 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.664 3.227 1.370 1.00 0.00 C ATOM 1045 C GLN A 71 -1.776 2.046 2.329 1.00 0.00 C ATOM 1046 O GLN A 71 -2.816 1.394 2.408 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.634 4.333 1.789 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.423 4.821 3.213 1.00 0.00 C ATOM 1049 CD GLN A 71 -3.049 6.178 3.464 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -3.677 6.759 2.577 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -2.883 6.692 4.677 1.00 0.00 N ATOM 0 H GLN A 71 -2.851 2.392 -0.144 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.645 3.612 1.414 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.528 5.176 1.106 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.655 3.967 1.687 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.846 4.096 3.908 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.354 4.874 3.420 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.356 6.176 5.382 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.283 7.602 4.904 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.696 1.776 3.056 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.694 0.674 4.000 1.00 0.00 C ATOM 1062 C GLY A 72 -0.186 1.083 5.368 1.00 0.00 C ATOM 1063 O GLY A 72 0.242 2.220 5.564 1.00 0.00 O ATOM 0 H GLY A 72 0.177 2.301 3.008 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.706 0.279 4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.072 -0.132 3.611 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.234 0.154 6.318 1.00 0.00 N ATOM 1068 CA GLU A 73 0.223 0.426 7.676 1.00 0.00 C ATOM 1069 C GLU A 73 1.289 -0.579 8.102 1.00 0.00 C ATOM 1070 O GLU A 73 1.331 -1.705 7.604 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.954 0.382 8.652 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.603 -0.988 8.763 1.00 0.00 C ATOM 1073 CD GLU A 73 -2.270 -1.211 10.106 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -3.432 -0.784 10.271 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -1.629 -1.813 10.994 1.00 0.00 O ATOM 0 H GLU A 73 -0.584 -0.793 6.172 1.00 0.00 H new ATOM 0 HA GLU A 73 0.662 1.424 7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.609 0.692 9.638 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.705 1.106 8.335 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.343 -1.100 7.971 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.848 -1.758 8.605 1.00 0.00 H new ATOM 1082 N ILE A 74 2.149 -0.164 9.026 1.00 0.00 N ATOM 1083 CA ILE A 74 3.215 -1.027 9.519 1.00 0.00 C ATOM 1084 C ILE A 74 3.542 -0.718 10.977 1.00 0.00 C ATOM 1085 O ILE A 74 4.180 0.289 11.280 1.00 0.00 O ATOM 1086 CB ILE A 74 4.495 -0.879 8.676 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.150 -0.855 7.185 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.465 -2.011 8.982 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.296 -0.403 6.307 1.00 0.00 C ATOM 0 H ILE A 74 2.128 0.764 9.448 1.00 0.00 H new ATOM 0 HA ILE A 74 2.853 -2.052 9.439 1.00 0.00 H new ATOM 0 HB ILE A 74 4.975 0.065 8.934 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.838 -1.853 6.876 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.299 -0.192 7.028 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.365 -1.892 8.378 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.731 -1.986 10.039 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.995 -2.966 8.748 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.980 -0.410 5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.594 0.607 6.589 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.141 -1.079 6.435 1.00 0.00 H new ATOM 1101 N ASN A 75 3.100 -1.593 11.875 1.00 0.00 N ATOM 1102 CA ASN A 75 3.347 -1.415 13.301 1.00 0.00 C ATOM 1103 C ASN A 75 2.692 -0.134 13.810 1.00 0.00 C ATOM 1104 O ASN A 75 3.311 0.649 14.529 1.00 0.00 O ATOM 1105 CB ASN A 75 4.851 -1.376 13.579 1.00 0.00 C ATOM 1106 CG ASN A 75 5.439 -2.761 13.773 1.00 0.00 C ATOM 1107 OD1 ASN A 75 5.200 -3.411 14.791 1.00 0.00 O ATOM 1108 ND2 ASN A 75 6.211 -3.218 12.795 1.00 0.00 N ATOM 0 H ASN A 75 2.569 -2.432 11.640 1.00 0.00 H new ATOM 0 HA ASN A 75 2.909 -2.262 13.829 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.358 -0.882 12.750 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.038 -0.777 14.470 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.634 -4.143 12.869 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.381 -2.644 11.969 1.00 0.00 H new ATOM 1115 N GLY A 76 1.433 0.071 13.432 1.00 0.00 N ATOM 1116 CA GLY A 76 0.714 1.257 13.860 1.00 0.00 C ATOM 1117 C GLY A 76 1.143 2.499 13.104 1.00 0.00 C ATOM 1118 O GLY A 76 0.703 3.606 13.415 1.00 0.00 O ATOM 0 H GLY A 76 0.899 -0.563 12.837 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.355 1.101 13.719 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.875 1.411 14.927 1.00 0.00 H new ATOM 1122 N VAL A 77 2.004 2.316 12.109 1.00 0.00 N ATOM 1123 CA VAL A 77 2.493 3.431 11.306 1.00 0.00 C ATOM 1124 C VAL A 77 1.804 3.473 9.947 1.00 0.00 C ATOM 1125 O VAL A 77 1.412 2.440 9.404 1.00 0.00 O ATOM 1126 CB VAL A 77 4.016 3.345 11.095 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.337 2.564 9.830 1.00 0.00 C ATOM 1128 CG2 VAL A 77 4.625 4.738 11.040 1.00 0.00 C ATOM 0 H VAL A 77 2.378 1.406 11.839 1.00 0.00 H new ATOM 0 HA VAL A 77 2.261 4.343 11.856 1.00 0.00 H new ATOM 0 HB VAL A 77 4.453 2.815 11.941 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.418 2.514 9.698 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.934 1.555 9.914 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.889 3.063 8.971 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.702 4.659 10.890 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.184 5.296 10.214 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.426 5.259 11.976 1.00 0.00 H new ATOM 1138 N THR A 78 1.659 4.676 9.400 1.00 0.00 N ATOM 1139 CA THR A 78 1.017 4.854 8.104 1.00 0.00 C ATOM 1140 C THR A 78 1.825 5.792 7.214 1.00 0.00 C ATOM 1141 O THR A 78 2.445 6.739 7.695 1.00 0.00 O ATOM 1142 CB THR A 78 -0.411 5.413 8.256 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.375 6.665 8.950 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.297 4.434 9.012 1.00 0.00 C ATOM 0 H THR A 78 1.978 5.542 9.835 1.00 0.00 H new ATOM 0 HA THR A 78 0.967 3.870 7.639 1.00 0.00 H new ATOM 0 HB THR A 78 -0.828 5.562 7.260 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.286 7.015 9.041 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.300 4.850 9.107 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.345 3.491 8.467 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.881 4.259 10.004 1.00 0.00 H new ATOM 1152 N GLY A 79 1.812 5.522 5.912 1.00 0.00 N ATOM 1153 CA GLY A 79 2.548 6.352 4.976 1.00 0.00 C ATOM 1154 C GLY A 79 2.047 6.203 3.552 1.00 0.00 C ATOM 1155 O GLY A 79 0.888 5.852 3.327 1.00 0.00 O ATOM 0 H GLY A 79 1.305 4.744 5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.467 7.396 5.279 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.605 6.089 5.016 1.00 0.00 H new ATOM 1159 N LEU A 80 2.922 6.470 2.589 1.00 0.00 N ATOM 1160 CA LEU A 80 2.562 6.365 1.179 1.00 0.00 C ATOM 1161 C LEU A 80 3.606 5.563 0.409 1.00 0.00 C ATOM 1162 O LEU A 80 4.807 5.701 0.642 1.00 0.00 O ATOM 1163 CB LEU A 80 2.418 7.759 0.564 1.00 0.00 C ATOM 1164 CG LEU A 80 1.178 8.550 0.979 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.221 9.955 0.397 1.00 0.00 C ATOM 1166 CD2 LEU A 80 -0.088 7.828 0.540 1.00 0.00 C ATOM 0 H LEU A 80 3.885 6.761 2.758 1.00 0.00 H new ATOM 0 HA LEU A 80 1.607 5.844 1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.301 8.342 0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.413 7.657 -0.521 1.00 0.00 H new ATOM 0 HG LEU A 80 1.169 8.629 2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.330 10.503 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.108 10.473 0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.255 9.897 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.961 8.406 0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.086 7.717 -0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.125 6.843 1.005 1.00 0.00 H new ATOM 1178 N PHE A 81 3.141 4.725 -0.512 1.00 0.00 N ATOM 1179 CA PHE A 81 4.034 3.901 -1.318 1.00 0.00 C ATOM 1180 C PHE A 81 3.343 3.442 -2.598 1.00 0.00 C ATOM 1181 O PHE A 81 2.117 3.350 -2.674 1.00 0.00 O ATOM 1182 CB PHE A 81 4.505 2.687 -0.515 1.00 0.00 C ATOM 1183 CG PHE A 81 3.380 1.892 0.086 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.470 1.234 -0.725 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.233 1.805 1.461 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.434 0.502 -0.175 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.200 1.074 2.016 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.298 0.423 1.197 1.00 0.00 C ATOM 0 H PHE A 81 2.150 4.599 -0.719 1.00 0.00 H new ATOM 0 HA PHE A 81 4.899 4.506 -1.590 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.092 2.037 -1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.168 3.024 0.282 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.571 1.293 -1.799 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.934 2.314 2.106 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.732 -0.008 -0.818 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.098 1.012 3.089 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.488 -0.146 1.629 1.00 0.00 H new ATOM 1198 N PRO A 82 4.147 3.147 -3.631 1.00 0.00 N ATOM 1199 CA PRO A 82 3.636 2.692 -4.927 1.00 0.00 C ATOM 1200 C PRO A 82 3.046 1.288 -4.858 1.00 0.00 C ATOM 1201 O PRO A 82 3.510 0.447 -4.088 1.00 0.00 O ATOM 1202 CB PRO A 82 4.877 2.708 -5.823 1.00 0.00 C ATOM 1203 CG PRO A 82 6.023 2.545 -4.885 1.00 0.00 C ATOM 1204 CD PRO A 82 5.617 3.234 -3.611 1.00 0.00 C ATOM 0 HA PRO A 82 2.824 3.323 -5.289 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.847 1.901 -6.555 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.951 3.642 -6.380 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.235 1.491 -4.708 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.930 2.988 -5.296 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.037 2.740 -2.735 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.958 4.269 -3.587 1.00 0.00 H new ATOM 1212 N SER A 83 2.022 1.040 -5.668 1.00 0.00 N ATOM 1213 CA SER A 83 1.367 -0.262 -5.696 1.00 0.00 C ATOM 1214 C SER A 83 2.188 -1.266 -6.500 1.00 0.00 C ATOM 1215 O SER A 83 1.715 -2.355 -6.821 1.00 0.00 O ATOM 1216 CB SER A 83 -0.036 -0.139 -6.293 1.00 0.00 C ATOM 1217 OG SER A 83 0.022 0.228 -7.661 1.00 0.00 O ATOM 0 H SER A 83 1.628 1.724 -6.314 1.00 0.00 H new ATOM 0 HA SER A 83 1.287 -0.622 -4.670 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.563 -1.088 -6.190 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.607 0.605 -5.738 1.00 0.00 H new ATOM 0 HG SER A 83 -0.882 0.418 -7.987 1.00 0.00 H new ATOM 1223 N ASN A 84 3.421 -0.890 -6.821 1.00 0.00 N ATOM 1224 CA ASN A 84 4.309 -1.756 -7.588 1.00 0.00 C ATOM 1225 C ASN A 84 5.395 -2.349 -6.696 1.00 0.00 C ATOM 1226 O ASN A 84 5.979 -3.385 -7.015 1.00 0.00 O ATOM 1227 CB ASN A 84 4.948 -0.975 -8.739 1.00 0.00 C ATOM 1228 CG ASN A 84 3.918 -0.277 -9.606 1.00 0.00 C ATOM 1229 OD1 ASN A 84 2.716 -0.504 -9.466 1.00 0.00 O ATOM 1230 ND2 ASN A 84 4.386 0.577 -10.508 1.00 0.00 N ATOM 0 H ASN A 84 3.828 0.009 -6.562 1.00 0.00 H new ATOM 0 HA ASN A 84 3.715 -2.573 -7.998 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.639 -0.236 -8.333 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.536 -1.656 -9.355 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.741 1.076 -11.120 1.00 0.00 H new ATOM 0 HD22 ASN A 84 5.391 0.734 -10.589 1.00 0.00 H new ATOM 1237 N TYR A 85 5.661 -1.685 -5.577 1.00 0.00 N ATOM 1238 CA TYR A 85 6.678 -2.144 -4.639 1.00 0.00 C ATOM 1239 C TYR A 85 6.102 -3.175 -3.673 1.00 0.00 C ATOM 1240 O TYR A 85 6.781 -3.625 -2.749 1.00 0.00 O ATOM 1241 CB TYR A 85 7.253 -0.962 -3.857 1.00 0.00 C ATOM 1242 CG TYR A 85 8.455 -0.326 -4.518 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.356 0.251 -5.778 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.690 -0.302 -3.881 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.453 0.832 -6.385 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.792 0.278 -4.481 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.668 0.843 -5.733 1.00 0.00 C ATOM 1248 OH TYR A 85 11.762 1.422 -6.334 1.00 0.00 O ATOM 0 H TYR A 85 5.186 -0.827 -5.297 1.00 0.00 H new ATOM 0 HA TYR A 85 7.477 -2.615 -5.212 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.476 -0.208 -3.732 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.534 -1.299 -2.859 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.406 0.245 -6.292 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.790 -0.744 -2.901 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.359 1.275 -7.365 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.745 0.289 -3.972 1.00 0.00 H new ATOM 0 HH TYR A 85 12.539 1.346 -5.742 1.00 0.00 H new ATOM 1258 N VAL A 86 4.845 -3.546 -3.893 1.00 0.00 N ATOM 1259 CA VAL A 86 4.176 -4.525 -3.045 1.00 0.00 C ATOM 1260 C VAL A 86 3.324 -5.479 -3.873 1.00 0.00 C ATOM 1261 O VAL A 86 2.959 -5.177 -5.010 1.00 0.00 O ATOM 1262 CB VAL A 86 3.285 -3.839 -1.992 1.00 0.00 C ATOM 1263 CG1 VAL A 86 4.089 -2.832 -1.185 1.00 0.00 C ATOM 1264 CG2 VAL A 86 2.092 -3.171 -2.659 1.00 0.00 C ATOM 0 H VAL A 86 4.269 -3.183 -4.652 1.00 0.00 H new ATOM 0 HA VAL A 86 4.957 -5.090 -2.537 1.00 0.00 H new ATOM 0 HB VAL A 86 2.911 -4.600 -1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.442 -2.358 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.907 -3.343 -0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.495 -2.072 -1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.473 -2.691 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.444 -2.421 -3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.503 -3.921 -3.187 1.00 0.00 H new ATOM 1274 N LYS A 87 3.007 -6.634 -3.296 1.00 0.00 N ATOM 1275 CA LYS A 87 2.196 -7.634 -3.980 1.00 0.00 C ATOM 1276 C LYS A 87 1.122 -8.191 -3.050 1.00 0.00 C ATOM 1277 O LYS A 87 1.406 -8.562 -1.912 1.00 0.00 O ATOM 1278 CB LYS A 87 3.079 -8.772 -4.495 1.00 0.00 C ATOM 1279 CG LYS A 87 3.174 -9.949 -3.540 1.00 0.00 C ATOM 1280 CD LYS A 87 4.380 -10.820 -3.847 1.00 0.00 C ATOM 1281 CE LYS A 87 4.278 -12.175 -3.163 1.00 0.00 C ATOM 1282 NZ LYS A 87 5.058 -13.220 -3.881 1.00 0.00 N ATOM 0 H LYS A 87 3.300 -6.900 -2.356 1.00 0.00 H new ATOM 0 HA LYS A 87 1.706 -7.152 -4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 87 2.687 -9.121 -5.450 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.081 -8.386 -4.684 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.240 -9.583 -2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.265 -10.547 -3.607 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.464 -10.961 -4.925 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.288 -10.314 -3.520 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.640 -12.092 -2.138 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.232 -12.476 -3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.962 -14.128 -3.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.697 -13.317 -4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.061 -12.946 -3.911 1.00 0.00 H new ATOM 1296 N MET A 88 -0.111 -8.247 -3.544 1.00 0.00 N ATOM 1297 CA MET A 88 -1.226 -8.761 -2.757 1.00 0.00 C ATOM 1298 C MET A 88 -1.067 -10.257 -2.502 1.00 0.00 C ATOM 1299 O MET A 88 -1.377 -11.081 -3.363 1.00 0.00 O ATOM 1300 CB MET A 88 -2.550 -8.492 -3.474 1.00 0.00 C ATOM 1301 CG MET A 88 -2.839 -7.015 -3.683 1.00 0.00 C ATOM 1302 SD MET A 88 -4.595 -6.676 -3.914 1.00 0.00 S ATOM 1303 CE MET A 88 -4.829 -5.315 -2.773 1.00 0.00 C ATOM 0 H MET A 88 -0.363 -7.943 -4.485 1.00 0.00 H new ATOM 0 HA MET A 88 -1.230 -8.245 -1.797 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.537 -8.992 -4.443 1.00 0.00 H new ATOM 0 HB3 MET A 88 -3.362 -8.935 -2.898 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.474 -6.452 -2.824 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.287 -6.660 -4.553 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.893 -5.097 -2.681 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.428 -5.586 -1.796 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.309 -4.433 -3.147 1.00 0.00 H new ATOM 1313 N THR A 89 -0.580 -10.601 -1.314 1.00 0.00 N ATOM 1314 CA THR A 89 -0.379 -11.997 -0.946 1.00 0.00 C ATOM 1315 C THR A 89 -1.610 -12.835 -1.271 1.00 0.00 C ATOM 1316 O THR A 89 -1.499 -13.945 -1.793 1.00 0.00 O ATOM 1317 CB THR A 89 -0.055 -12.142 0.553 1.00 0.00 C ATOM 1318 OG1 THR A 89 -1.168 -11.703 1.340 1.00 0.00 O ATOM 1319 CG2 THR A 89 1.182 -11.336 0.920 1.00 0.00 C ATOM 0 H THR A 89 -0.317 -9.932 -0.590 1.00 0.00 H new ATOM 0 HA THR A 89 0.467 -12.358 -1.530 1.00 0.00 H new ATOM 0 HB THR A 89 0.142 -13.194 0.759 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.252 -10.729 1.273 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.391 -11.454 1.983 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.034 -11.693 0.341 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.009 -10.283 0.699 1.00 0.00 H new ATOM 1327 N THR A 90 -2.786 -12.296 -0.961 1.00 0.00 N ATOM 1328 CA THR A 90 -4.038 -12.995 -1.220 1.00 0.00 C ATOM 1329 C THR A 90 -4.089 -14.326 -0.479 1.00 0.00 C ATOM 1330 O THR A 90 -4.580 -15.323 -1.008 1.00 0.00 O ATOM 1331 CB THR A 90 -4.238 -13.250 -2.726 1.00 0.00 C ATOM 1332 OG1 THR A 90 -3.856 -12.091 -3.475 1.00 0.00 O ATOM 1333 CG2 THR A 90 -5.687 -13.601 -3.028 1.00 0.00 C ATOM 0 H THR A 90 -2.897 -11.378 -0.530 1.00 0.00 H new ATOM 0 HA THR A 90 -4.840 -12.351 -0.859 1.00 0.00 H new ATOM 0 HB THR A 90 -3.609 -14.092 -3.016 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.881 -11.993 -3.451 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.804 -13.777 -4.097 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.965 -14.501 -2.480 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.332 -12.777 -2.723 1.00 0.00 H new ATOM 1341 N ASP A 91 -3.580 -14.334 0.748 1.00 0.00 N ATOM 1342 CA ASP A 91 -3.570 -15.543 1.564 1.00 0.00 C ATOM 1343 C ASP A 91 -4.974 -15.876 2.059 1.00 0.00 C ATOM 1344 O ASP A 91 -5.340 -15.544 3.186 1.00 0.00 O ATOM 1345 CB ASP A 91 -2.622 -15.374 2.752 1.00 0.00 C ATOM 1346 CG ASP A 91 -2.130 -16.702 3.294 1.00 0.00 C ATOM 1347 OD1 ASP A 91 -1.959 -17.643 2.491 1.00 0.00 O ATOM 1348 OD2 ASP A 91 -1.914 -16.799 4.520 1.00 0.00 O ATOM 0 H ASP A 91 -3.169 -13.517 1.200 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.218 -16.368 0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.767 -14.770 2.448 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.132 -14.828 3.545 1.00 0.00 H new ATOM 1353 N SER A 92 -5.755 -16.534 1.209 1.00 0.00 N ATOM 1354 CA SER A 92 -7.120 -16.909 1.559 1.00 0.00 C ATOM 1355 C SER A 92 -7.234 -18.416 1.769 1.00 0.00 C ATOM 1356 O SER A 92 -6.889 -19.204 0.889 1.00 0.00 O ATOM 1357 CB SER A 92 -8.091 -16.461 0.464 1.00 0.00 C ATOM 1358 OG SER A 92 -9.373 -16.185 1.000 1.00 0.00 O ATOM 0 H SER A 92 -5.466 -16.819 0.273 1.00 0.00 H new ATOM 0 HA SER A 92 -7.379 -16.409 2.492 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.701 -15.571 -0.030 1.00 0.00 H new ATOM 0 HB3 SER A 92 -8.171 -17.239 -0.296 1.00 0.00 H new ATOM 0 HG SER A 92 -9.974 -15.899 0.280 1.00 0.00 H new ATOM 1364 N SER A 93 -7.720 -18.808 2.942 1.00 0.00 N ATOM 1365 CA SER A 93 -7.876 -20.220 3.272 1.00 0.00 C ATOM 1366 C SER A 93 -9.349 -20.618 3.272 1.00 0.00 C ATOM 1367 O SER A 93 -10.193 -19.915 3.824 1.00 0.00 O ATOM 1368 CB SER A 93 -7.255 -20.518 4.638 1.00 0.00 C ATOM 1369 OG SER A 93 -7.062 -21.911 4.817 1.00 0.00 O ATOM 0 H SER A 93 -8.013 -18.168 3.680 1.00 0.00 H new ATOM 0 HA SER A 93 -7.359 -20.805 2.511 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.300 -20.001 4.727 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.901 -20.133 5.427 1.00 0.00 H new ATOM 0 HG SER A 93 -6.662 -22.076 5.697 1.00 0.00 H new ATOM 1375 N GLY A 94 -9.648 -21.754 2.648 1.00 0.00 N ATOM 1376 CA GLY A 94 -11.019 -22.227 2.587 1.00 0.00 C ATOM 1377 C GLY A 94 -11.815 -21.559 1.484 1.00 0.00 C ATOM 1378 O GLY A 94 -12.505 -20.563 1.702 1.00 0.00 O ATOM 0 H GLY A 94 -8.966 -22.354 2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.021 -23.306 2.430 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -11.506 -22.043 3.545 1.00 0.00 H new ATOM 1382 N PRO A 95 -11.722 -22.111 0.265 1.00 0.00 N ATOM 1383 CA PRO A 95 -12.431 -21.578 -0.902 1.00 0.00 C ATOM 1384 C PRO A 95 -13.938 -21.793 -0.812 1.00 0.00 C ATOM 1385 O PRO A 95 -14.402 -22.751 -0.195 1.00 0.00 O ATOM 1386 CB PRO A 95 -11.846 -22.377 -2.069 1.00 0.00 C ATOM 1387 CG PRO A 95 -11.374 -23.651 -1.457 1.00 0.00 C ATOM 1388 CD PRO A 95 -10.917 -23.299 -0.068 1.00 0.00 C ATOM 0 HA PRO A 95 -12.303 -20.500 -0.999 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.596 -22.561 -2.838 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -11.026 -21.839 -2.546 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.174 -24.390 -1.429 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.560 -24.085 -2.038 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -11.096 -24.115 0.633 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.849 -23.082 -0.039 1.00 0.00 H new ATOM 1396 N SER A 96 -14.697 -20.895 -1.432 1.00 0.00 N ATOM 1397 CA SER A 96 -16.153 -20.985 -1.419 1.00 0.00 C ATOM 1398 C SER A 96 -16.678 -21.490 -2.760 1.00 0.00 C ATOM 1399 O SER A 96 -17.388 -22.493 -2.823 1.00 0.00 O ATOM 1400 CB SER A 96 -16.766 -19.621 -1.099 1.00 0.00 C ATOM 1401 OG SER A 96 -16.423 -19.202 0.210 1.00 0.00 O ATOM 0 H SER A 96 -14.328 -20.097 -1.949 1.00 0.00 H new ATOM 0 HA SER A 96 -16.442 -21.696 -0.645 1.00 0.00 H new ATOM 0 HB2 SER A 96 -16.418 -18.884 -1.823 1.00 0.00 H new ATOM 0 HB3 SER A 96 -17.850 -19.675 -1.194 1.00 0.00 H new ATOM 0 HG SER A 96 -16.826 -18.327 0.389 1.00 0.00 H new ATOM 1407 N SER A 97 -16.323 -20.786 -3.830 1.00 0.00 N ATOM 1408 CA SER A 97 -16.760 -21.159 -5.170 1.00 0.00 C ATOM 1409 C SER A 97 -16.014 -22.396 -5.661 1.00 0.00 C ATOM 1410 O SER A 97 -14.958 -22.291 -6.283 1.00 0.00 O ATOM 1411 CB SER A 97 -16.542 -19.999 -6.142 1.00 0.00 C ATOM 1412 OG SER A 97 -17.554 -19.017 -6.000 1.00 0.00 O ATOM 0 H SER A 97 -15.734 -19.954 -3.795 1.00 0.00 H new ATOM 0 HA SER A 97 -17.824 -21.392 -5.126 1.00 0.00 H new ATOM 0 HB2 SER A 97 -15.566 -19.548 -5.962 1.00 0.00 H new ATOM 0 HB3 SER A 97 -16.536 -20.374 -7.165 1.00 0.00 H new ATOM 0 HG SER A 97 -17.391 -18.285 -6.631 1.00 0.00 H new ATOM 1418 N GLY A 98 -16.572 -23.569 -5.375 1.00 0.00 N ATOM 1419 CA GLY A 98 -15.946 -24.809 -5.794 1.00 0.00 C ATOM 1420 C GLY A 98 -16.325 -25.201 -7.208 1.00 0.00 C ATOM 1421 O GLY A 98 -16.112 -26.341 -7.622 1.00 0.00 O ATOM 0 H GLY A 98 -17.446 -23.682 -4.861 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -14.863 -24.706 -5.727 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -16.234 -25.607 -5.110 1.00 0.00 H new TER 1425 GLY A 98