USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 925 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 54 SER OG : rot 61:sc= 1.16 USER MOD Set 1.2: A 55 SER OG : rot -85:sc= -1.43! USER MOD Set 2.1: A 40 HIS : no HD1:sc= -7.59! C(o=-16!,f=-24!) USER MOD Set 2.2: A 60 MET CE :methyl -151:sc= -8.9! (180deg=-8.46!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 23:sc= 1.03 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.62 K(o=-1.6,f=-3.2!) USER MOD Single : A 13 SER OG : rot -51:sc= 0.455 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.28 K(o=-0.28,f=-2.7!) USER MOD Single : A 21 ASN :FLIP amide:sc= 0.977 F(o=-0.3,f=0.98) USER MOD Single : A 22 TYR OH : rot -38:sc= 0.502 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.666 K(o=-0.67,f=-1.6!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -64:sc= 0.953 USER MOD Single : A 39 LYS NZ :NH3+ 161:sc= -0.0393 (180deg=-0.362) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.39) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 72:sc= 1.23 USER MOD Single : A 53 SER OG : rot 180:sc= 0.03 USER MOD Single : A 64 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.9!) USER MOD Single : A 70 MET CE :methyl 145:sc= -2.18! (180deg=-4.17!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -2.84! C(o=-2.8!,f=-5!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0255 K(o=-0.025,f=-1.8!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 55:sc= 0.416 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 ASN :FLIP amide:sc= -0.879 F(o=-4.7!,f=-0.88) USER MOD Single : A 98 SER OG : rot 140:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -161:sc= 0.0284 (180deg=0.0101) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -7.67! C(o=-7.7!,f=-14!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 47:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.154 -28.761 -17.189 1.00 0.00 N ATOM 2 CA GLY A 1 0.005 -27.612 -16.311 1.00 0.00 C ATOM 3 C GLY A 1 -0.988 -26.604 -16.892 1.00 0.00 C ATOM 4 O GLY A 1 -2.133 -26.529 -16.448 1.00 0.00 O ATOM 0 H1 GLY A 1 0.833 -29.430 -16.773 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.767 -29.230 -17.306 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.503 -28.446 -18.117 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.337 -27.941 -15.330 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.973 -27.132 -16.166 1.00 0.00 H new ATOM 8 N SER A 2 -0.514 -25.852 -17.874 1.00 0.00 N ATOM 9 CA SER A 2 -1.346 -24.851 -18.520 1.00 0.00 C ATOM 10 C SER A 2 -1.751 -23.777 -17.509 1.00 0.00 C ATOM 11 O SER A 2 -1.599 -23.965 -16.303 1.00 0.00 O ATOM 12 CB SER A 2 -2.589 -25.488 -19.145 1.00 0.00 C ATOM 13 OG SER A 2 -2.252 -26.503 -20.087 1.00 0.00 O ATOM 0 H SER A 2 0.437 -25.916 -18.238 1.00 0.00 H new ATOM 0 HA SER A 2 -0.767 -24.389 -19.320 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.212 -25.915 -18.359 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.182 -24.718 -19.638 1.00 0.00 H new ATOM 0 HG SER A 2 -3.072 -26.886 -20.462 1.00 0.00 H new ATOM 19 N SER A 3 -2.260 -22.674 -18.038 1.00 0.00 N ATOM 20 CA SER A 3 -2.688 -21.569 -17.197 1.00 0.00 C ATOM 21 C SER A 3 -1.644 -21.303 -16.111 1.00 0.00 C ATOM 22 O SER A 3 -1.780 -21.779 -14.985 1.00 0.00 O ATOM 23 CB SER A 3 -4.051 -21.855 -16.564 1.00 0.00 C ATOM 24 OG SER A 3 -4.034 -23.038 -15.770 1.00 0.00 O ATOM 0 H SER A 3 -2.386 -22.522 -19.039 1.00 0.00 H new ATOM 0 HA SER A 3 -2.787 -20.682 -17.822 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.348 -21.008 -15.946 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.801 -21.956 -17.349 1.00 0.00 H new ATOM 0 HG SER A 3 -3.115 -23.230 -15.489 1.00 0.00 H new ATOM 30 N GLY A 4 -0.626 -20.544 -16.487 1.00 0.00 N ATOM 31 CA GLY A 4 0.441 -20.208 -15.559 1.00 0.00 C ATOM 32 C GLY A 4 0.470 -18.705 -15.277 1.00 0.00 C ATOM 33 O GLY A 4 0.002 -18.257 -14.231 1.00 0.00 O ATOM 0 H GLY A 4 -0.517 -20.152 -17.422 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.301 -20.754 -14.626 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.399 -20.523 -15.972 1.00 0.00 H new ATOM 37 N SER A 5 1.024 -17.967 -16.228 1.00 0.00 N ATOM 38 CA SER A 5 1.121 -16.524 -16.095 1.00 0.00 C ATOM 39 C SER A 5 1.664 -16.161 -14.712 1.00 0.00 C ATOM 40 O SER A 5 0.896 -15.915 -13.783 1.00 0.00 O ATOM 41 CB SER A 5 -0.238 -15.858 -16.322 1.00 0.00 C ATOM 42 OG SER A 5 -0.493 -15.625 -17.705 1.00 0.00 O ATOM 0 H SER A 5 1.410 -18.342 -17.094 1.00 0.00 H new ATOM 0 HA SER A 5 1.809 -16.156 -16.857 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.025 -16.489 -15.909 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.273 -14.912 -15.782 1.00 0.00 H new ATOM 0 HG SER A 5 -1.370 -15.201 -17.809 1.00 0.00 H new ATOM 48 N SER A 6 2.986 -16.138 -14.618 1.00 0.00 N ATOM 49 CA SER A 6 3.641 -15.810 -13.363 1.00 0.00 C ATOM 50 C SER A 6 4.912 -15.001 -13.633 1.00 0.00 C ATOM 51 O SER A 6 5.849 -15.499 -14.255 1.00 0.00 O ATOM 52 CB SER A 6 3.976 -17.073 -12.569 1.00 0.00 C ATOM 53 OG SER A 6 4.550 -16.770 -11.300 1.00 0.00 O ATOM 0 H SER A 6 3.621 -16.341 -15.390 1.00 0.00 H new ATOM 0 HA SER A 6 2.954 -15.210 -12.766 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.070 -17.662 -12.426 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.669 -17.689 -13.143 1.00 0.00 H new ATOM 0 HG SER A 6 4.748 -17.603 -10.823 1.00 0.00 H new ATOM 59 N GLY A 7 4.902 -13.766 -13.152 1.00 0.00 N ATOM 60 CA GLY A 7 6.042 -12.883 -13.333 1.00 0.00 C ATOM 61 C GLY A 7 6.514 -12.315 -11.994 1.00 0.00 C ATOM 62 O GLY A 7 5.925 -12.599 -10.952 1.00 0.00 O ATOM 0 H GLY A 7 4.123 -13.356 -12.637 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.857 -13.429 -13.808 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.772 -12.067 -14.003 1.00 0.00 H new ATOM 66 N GLN A 8 7.573 -11.521 -12.064 1.00 0.00 N ATOM 67 CA GLN A 8 8.131 -10.910 -10.869 1.00 0.00 C ATOM 68 C GLN A 8 7.133 -9.920 -10.265 1.00 0.00 C ATOM 69 O GLN A 8 6.494 -9.158 -10.988 1.00 0.00 O ATOM 70 CB GLN A 8 9.465 -10.227 -11.175 1.00 0.00 C ATOM 71 CG GLN A 8 10.385 -10.248 -9.953 1.00 0.00 C ATOM 72 CD GLN A 8 11.782 -10.747 -10.326 1.00 0.00 C ATOM 73 OE1 GLN A 8 12.175 -11.861 -10.020 1.00 0.00 O ATOM 74 NE2 GLN A 8 12.509 -9.862 -11.004 1.00 0.00 N ATOM 0 H GLN A 8 8.059 -11.287 -12.930 1.00 0.00 H new ATOM 0 HA GLN A 8 8.322 -11.695 -10.137 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.952 -10.730 -12.010 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.288 -9.197 -11.483 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.454 -9.246 -9.528 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.959 -10.892 -9.184 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.119 -8.946 -11.228 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.456 -10.100 -11.300 1.00 0.00 H new ATOM 83 N LYS A 9 7.032 -9.963 -8.944 1.00 0.00 N ATOM 84 CA LYS A 9 6.124 -9.079 -8.234 1.00 0.00 C ATOM 85 C LYS A 9 6.795 -8.591 -6.949 1.00 0.00 C ATOM 86 O LYS A 9 7.516 -9.344 -6.296 1.00 0.00 O ATOM 87 CB LYS A 9 4.778 -9.768 -8.002 1.00 0.00 C ATOM 88 CG LYS A 9 3.781 -9.410 -9.105 1.00 0.00 C ATOM 89 CD LYS A 9 3.335 -7.951 -8.989 1.00 0.00 C ATOM 90 CE LYS A 9 3.942 -7.101 -10.107 1.00 0.00 C ATOM 91 NZ LYS A 9 2.876 -6.432 -10.886 1.00 0.00 N ATOM 0 H LYS A 9 7.564 -10.596 -8.347 1.00 0.00 H new ATOM 0 HA LYS A 9 5.905 -8.196 -8.834 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.919 -10.848 -7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.376 -9.471 -7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.237 -9.578 -10.081 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.912 -10.066 -9.042 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.247 -7.895 -9.034 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.635 -7.551 -8.020 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.613 -6.355 -9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.542 -7.730 -10.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.305 -5.859 -11.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.252 -7.149 -11.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.321 -5.817 -10.258 1.00 0.00 H new ATOM 105 N ASN A 10 6.534 -7.333 -6.623 1.00 0.00 N ATOM 106 CA ASN A 10 7.104 -6.736 -5.428 1.00 0.00 C ATOM 107 C ASN A 10 5.974 -6.295 -4.495 1.00 0.00 C ATOM 108 O ASN A 10 4.888 -5.943 -4.953 1.00 0.00 O ATOM 109 CB ASN A 10 7.940 -5.502 -5.773 1.00 0.00 C ATOM 110 CG ASN A 10 7.099 -4.457 -6.508 1.00 0.00 C ATOM 111 OD1 ASN A 10 6.048 -4.037 -6.053 1.00 0.00 O ATOM 112 ND2 ASN A 10 7.617 -4.063 -7.668 1.00 0.00 N ATOM 0 H ASN A 10 5.935 -6.711 -7.166 1.00 0.00 H new ATOM 0 HA ASN A 10 7.741 -7.481 -4.950 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.348 -5.068 -4.860 1.00 0.00 H new ATOM 0 HB3 ASN A 10 8.787 -5.794 -6.394 1.00 0.00 H new ATOM 0 HD21 ASN A 10 7.130 -3.369 -8.235 1.00 0.00 H new ATOM 0 HD22 ASN A 10 8.502 -4.455 -7.991 1.00 0.00 H new ATOM 119 N PRO A 11 6.276 -6.329 -3.170 1.00 0.00 N ATOM 120 CA PRO A 11 5.299 -5.937 -2.169 1.00 0.00 C ATOM 121 C PRO A 11 5.136 -4.417 -2.127 1.00 0.00 C ATOM 122 O PRO A 11 4.015 -3.909 -2.122 1.00 0.00 O ATOM 123 CB PRO A 11 5.820 -6.514 -0.863 1.00 0.00 C ATOM 124 CG PRO A 11 7.294 -6.806 -1.094 1.00 0.00 C ATOM 125 CD PRO A 11 7.552 -6.741 -2.591 1.00 0.00 C ATOM 0 HA PRO A 11 4.300 -6.316 -2.386 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.686 -5.808 -0.043 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.280 -7.422 -0.594 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.914 -6.080 -0.568 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.554 -7.790 -0.704 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.342 -6.028 -2.826 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.870 -7.708 -2.980 1.00 0.00 H new ATOM 133 N ASP A 12 6.270 -3.732 -2.099 1.00 0.00 N ATOM 134 CA ASP A 12 6.267 -2.280 -2.058 1.00 0.00 C ATOM 135 C ASP A 12 5.919 -1.814 -0.643 1.00 0.00 C ATOM 136 O ASP A 12 6.739 -1.191 0.029 1.00 0.00 O ATOM 137 CB ASP A 12 5.222 -1.704 -3.016 1.00 0.00 C ATOM 138 CG ASP A 12 5.732 -0.597 -3.940 1.00 0.00 C ATOM 139 OD1 ASP A 12 6.275 0.390 -3.397 1.00 0.00 O ATOM 140 OD2 ASP A 12 5.568 -0.762 -5.168 1.00 0.00 O ATOM 0 H ASP A 12 7.198 -4.156 -2.104 1.00 0.00 H new ATOM 0 HA ASP A 12 7.257 -1.933 -2.353 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.827 -2.514 -3.629 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.390 -1.313 -2.430 1.00 0.00 H new ATOM 145 N SER A 13 4.700 -2.135 -0.232 1.00 0.00 N ATOM 146 CA SER A 13 4.234 -1.758 1.091 1.00 0.00 C ATOM 147 C SER A 13 3.673 -2.982 1.817 1.00 0.00 C ATOM 148 O SER A 13 4.197 -3.387 2.854 1.00 0.00 O ATOM 149 CB SER A 13 3.173 -0.659 1.008 1.00 0.00 C ATOM 150 OG SER A 13 3.064 0.072 2.226 1.00 0.00 O ATOM 0 H SER A 13 4.022 -2.652 -0.792 1.00 0.00 H new ATOM 0 HA SER A 13 5.082 -1.367 1.653 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.422 0.024 0.196 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.208 -1.104 0.765 1.00 0.00 H new ATOM 0 HG SER A 13 2.953 -0.552 2.973 1.00 0.00 H new ATOM 156 N TYR A 14 2.616 -3.538 1.244 1.00 0.00 N ATOM 157 CA TYR A 14 1.979 -4.708 1.824 1.00 0.00 C ATOM 158 C TYR A 14 1.158 -5.462 0.775 1.00 0.00 C ATOM 159 O TYR A 14 0.329 -4.868 0.087 1.00 0.00 O ATOM 160 CB TYR A 14 1.038 -4.182 2.909 1.00 0.00 C ATOM 161 CG TYR A 14 1.757 -3.616 4.135 1.00 0.00 C ATOM 162 CD1 TYR A 14 2.269 -4.470 5.090 1.00 0.00 C ATOM 163 CD2 TYR A 14 1.894 -2.251 4.287 1.00 0.00 C ATOM 164 CE1 TYR A 14 2.946 -3.938 6.244 1.00 0.00 C ATOM 165 CE2 TYR A 14 2.571 -1.718 5.440 1.00 0.00 C ATOM 166 CZ TYR A 14 3.063 -2.588 6.363 1.00 0.00 C ATOM 167 OH TYR A 14 3.703 -2.085 7.453 1.00 0.00 O ATOM 0 H TYR A 14 2.185 -3.200 0.384 1.00 0.00 H new ATOM 0 HA TYR A 14 2.727 -5.397 2.217 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.405 -3.405 2.481 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.380 -4.990 3.228 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.162 -5.538 4.972 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.493 -1.582 3.540 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.352 -4.596 6.998 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.686 -0.652 5.569 1.00 0.00 H new ATOM 0 HH TYR A 14 3.712 -1.106 7.404 1.00 0.00 H new ATOM 177 N ASN A 15 1.417 -6.758 0.687 1.00 0.00 N ATOM 178 CA ASN A 15 0.712 -7.599 -0.266 1.00 0.00 C ATOM 179 C ASN A 15 -0.794 -7.494 -0.016 1.00 0.00 C ATOM 180 O ASN A 15 -1.335 -8.195 0.838 1.00 0.00 O ATOM 181 CB ASN A 15 1.116 -9.066 -0.110 1.00 0.00 C ATOM 182 CG ASN A 15 2.215 -9.441 -1.107 1.00 0.00 C ATOM 183 OD1 ASN A 15 2.545 -8.697 -2.016 1.00 0.00 O ATOM 184 ND2 ASN A 15 2.762 -10.633 -0.886 1.00 0.00 N ATOM 0 H ASN A 15 2.105 -7.247 1.260 1.00 0.00 H new ATOM 0 HA ASN A 15 0.968 -7.259 -1.270 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.466 -9.244 0.907 1.00 0.00 H new ATOM 0 HB3 ASN A 15 0.246 -9.705 -0.264 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.505 -10.974 -1.496 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.439 -11.206 -0.106 1.00 0.00 H new ATOM 191 N GLY A 16 -1.428 -6.613 -0.776 1.00 0.00 N ATOM 192 CA GLY A 16 -2.860 -6.408 -0.647 1.00 0.00 C ATOM 193 C GLY A 16 -3.347 -5.323 -1.609 1.00 0.00 C ATOM 194 O GLY A 16 -3.872 -5.626 -2.679 1.00 0.00 O ATOM 0 H GLY A 16 -0.976 -6.033 -1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.384 -7.342 -0.851 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.100 -6.125 0.378 1.00 0.00 H new ATOM 198 N ALA A 17 -3.156 -4.079 -1.193 1.00 0.00 N ATOM 199 CA ALA A 17 -3.570 -2.947 -2.005 1.00 0.00 C ATOM 200 C ALA A 17 -2.401 -1.969 -2.141 1.00 0.00 C ATOM 201 O ALA A 17 -2.002 -1.333 -1.167 1.00 0.00 O ATOM 202 CB ALA A 17 -4.805 -2.295 -1.381 1.00 0.00 C ATOM 0 H ALA A 17 -2.720 -3.830 -0.305 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.846 -3.274 -3.008 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.115 -1.446 -1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.615 -3.022 -1.333 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.566 -1.951 -0.375 1.00 0.00 H new ATOM 208 N VAL A 18 -1.885 -1.880 -3.358 1.00 0.00 N ATOM 209 CA VAL A 18 -0.770 -0.990 -3.635 1.00 0.00 C ATOM 210 C VAL A 18 -0.960 -0.354 -5.013 1.00 0.00 C ATOM 211 O VAL A 18 -0.970 -1.051 -6.027 1.00 0.00 O ATOM 212 CB VAL A 18 0.551 -1.751 -3.505 1.00 0.00 C ATOM 213 CG1 VAL A 18 1.726 -0.895 -3.983 1.00 0.00 C ATOM 214 CG2 VAL A 18 0.770 -2.229 -2.068 1.00 0.00 C ATOM 0 H VAL A 18 -2.218 -2.410 -4.164 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.737 -0.181 -2.906 1.00 0.00 H new ATOM 0 HB VAL A 18 0.495 -2.631 -4.146 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.653 -1.459 -3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.579 -0.627 -5.029 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.784 0.012 -3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.716 -2.767 -2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.795 -1.369 -1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.045 -2.892 -1.777 1.00 0.00 H new ATOM 224 N ARG A 19 -1.106 0.963 -5.007 1.00 0.00 N ATOM 225 CA ARG A 19 -1.296 1.701 -6.244 1.00 0.00 C ATOM 226 C ARG A 19 -0.242 2.803 -6.372 1.00 0.00 C ATOM 227 O ARG A 19 0.586 2.981 -5.479 1.00 0.00 O ATOM 228 CB ARG A 19 -2.690 2.328 -6.303 1.00 0.00 C ATOM 229 CG ARG A 19 -3.698 1.366 -6.935 1.00 0.00 C ATOM 230 CD ARG A 19 -4.056 0.235 -5.969 1.00 0.00 C ATOM 231 NE ARG A 19 -5.288 -0.447 -6.423 1.00 0.00 N ATOM 232 CZ ARG A 19 -5.318 -1.387 -7.379 1.00 0.00 C ATOM 233 NH1 ARG A 19 -4.185 -1.761 -7.987 1.00 0.00 N ATOM 234 NH2 ARG A 19 -6.483 -1.951 -7.726 1.00 0.00 N ATOM 0 H ARG A 19 -1.097 1.538 -4.165 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.192 0.997 -7.069 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.016 2.593 -5.297 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.653 3.252 -6.880 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.600 1.910 -7.214 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.282 0.948 -7.852 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.235 -0.479 -5.912 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.201 0.635 -4.965 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.170 -0.186 -5.981 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.299 -1.331 -7.723 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.208 -2.476 -8.714 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.346 -1.665 -7.263 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.507 -2.666 -8.453 1.00 0.00 H new ATOM 248 N GLU A 20 -0.307 3.513 -7.488 1.00 0.00 N ATOM 249 CA GLU A 20 0.632 4.592 -7.744 1.00 0.00 C ATOM 250 C GLU A 20 0.024 5.934 -7.328 1.00 0.00 C ATOM 251 O GLU A 20 -0.323 6.752 -8.178 1.00 0.00 O ATOM 252 CB GLU A 20 1.055 4.615 -9.214 1.00 0.00 C ATOM 253 CG GLU A 20 -0.144 4.884 -10.126 1.00 0.00 C ATOM 254 CD GLU A 20 0.067 6.158 -10.946 1.00 0.00 C ATOM 255 OE1 GLU A 20 0.970 6.134 -11.810 1.00 0.00 O ATOM 256 OE2 GLU A 20 -0.680 7.128 -10.691 1.00 0.00 O ATOM 0 H GLU A 20 -0.995 3.362 -8.226 1.00 0.00 H new ATOM 0 HA GLU A 20 1.526 4.418 -7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.812 5.384 -9.366 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.512 3.662 -9.480 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.294 4.037 -10.795 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.048 4.979 -9.525 1.00 0.00 H new ATOM 263 N ASN A 21 -0.087 6.117 -6.021 1.00 0.00 N ATOM 264 CA ASN A 21 -0.647 7.345 -5.482 1.00 0.00 C ATOM 265 C ASN A 21 -0.473 7.356 -3.962 1.00 0.00 C ATOM 266 O ASN A 21 0.182 8.242 -3.415 1.00 0.00 O ATOM 267 CB ASN A 21 -2.142 7.448 -5.787 1.00 0.00 C ATOM 268 CG ASN A 21 -2.436 8.651 -6.687 1.00 0.00 C ATOM 269 OD1 ASN A 21 -3.485 9.372 -6.300 1.00 0.00 O flip ATOM 270 ND2 ASN A 21 -1.756 8.906 -7.667 1.00 0.00 N flip ATOM 0 H ASN A 21 0.201 5.436 -5.319 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.126 8.184 -5.943 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.481 6.534 -6.274 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.701 7.540 -4.856 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.964 8.310 -7.907 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.979 9.715 -8.246 1.00 0.00 H new ATOM 277 N TYR A 22 -1.070 6.360 -3.323 1.00 0.00 N ATOM 278 CA TYR A 22 -0.989 6.244 -1.877 1.00 0.00 C ATOM 279 C TYR A 22 -1.388 4.841 -1.416 1.00 0.00 C ATOM 280 O TYR A 22 -2.422 4.318 -1.829 1.00 0.00 O ATOM 281 CB TYR A 22 -1.991 7.255 -1.316 1.00 0.00 C ATOM 282 CG TYR A 22 -3.451 6.926 -1.632 1.00 0.00 C ATOM 283 CD1 TYR A 22 -4.120 5.972 -0.891 1.00 0.00 C ATOM 284 CD2 TYR A 22 -4.100 7.582 -2.659 1.00 0.00 C ATOM 285 CE1 TYR A 22 -5.494 5.662 -1.189 1.00 0.00 C ATOM 286 CE2 TYR A 22 -5.474 7.271 -2.956 1.00 0.00 C ATOM 287 CZ TYR A 22 -6.104 6.327 -2.207 1.00 0.00 C ATOM 288 OH TYR A 22 -7.401 6.034 -2.488 1.00 0.00 O ATOM 0 H TYR A 22 -1.612 5.626 -3.780 1.00 0.00 H new ATOM 0 HA TYR A 22 0.029 6.429 -1.534 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.868 7.311 -0.234 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.757 8.242 -1.715 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.613 5.458 -0.088 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.577 8.328 -3.239 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.029 4.918 -0.617 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.993 7.777 -3.757 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.551 5.072 -2.376 1.00 0.00 H new ATOM 298 N THR A 23 -0.545 4.270 -0.567 1.00 0.00 N ATOM 299 CA THR A 23 -0.796 2.937 -0.046 1.00 0.00 C ATOM 300 C THR A 23 -1.653 3.012 1.219 1.00 0.00 C ATOM 301 O THR A 23 -1.610 4.005 1.944 1.00 0.00 O ATOM 302 CB THR A 23 0.554 2.253 0.173 1.00 0.00 C ATOM 303 OG1 THR A 23 1.332 2.651 -0.953 1.00 0.00 O ATOM 304 CG2 THR A 23 0.467 0.731 0.046 1.00 0.00 C ATOM 0 H THR A 23 0.312 4.706 -0.227 1.00 0.00 H new ATOM 0 HA THR A 23 -1.369 2.337 -0.753 1.00 0.00 H new ATOM 0 HB THR A 23 0.936 2.514 1.160 1.00 0.00 H new ATOM 0 HG1 THR A 23 2.225 2.253 -0.891 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.452 0.295 0.210 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.230 0.343 0.789 1.00 0.00 H new ATOM 0 HG23 THR A 23 0.116 0.469 -0.952 1.00 0.00 H new ATOM 312 N TRP A 24 -2.409 1.948 1.447 1.00 0.00 N ATOM 313 CA TRP A 24 -3.274 1.881 2.613 1.00 0.00 C ATOM 314 C TRP A 24 -3.595 0.409 2.879 1.00 0.00 C ATOM 315 O TRP A 24 -3.417 -0.437 2.003 1.00 0.00 O ATOM 316 CB TRP A 24 -4.525 2.739 2.418 1.00 0.00 C ATOM 317 CG TRP A 24 -5.678 2.012 1.722 1.00 0.00 C ATOM 318 CD1 TRP A 24 -5.926 1.927 0.408 1.00 0.00 C ATOM 319 CD2 TRP A 24 -6.734 1.265 2.362 1.00 0.00 C ATOM 320 NE1 TRP A 24 -7.061 1.183 0.156 1.00 0.00 N ATOM 321 CE2 TRP A 24 -7.568 0.768 1.382 1.00 0.00 C ATOM 322 CE3 TRP A 24 -6.977 1.018 3.725 1.00 0.00 C ATOM 323 CZ2 TRP A 24 -8.700 -0.007 1.659 1.00 0.00 C ATOM 324 CZ3 TRP A 24 -8.113 0.242 3.985 1.00 0.00 C ATOM 325 CH2 TRP A 24 -8.962 -0.266 3.009 1.00 0.00 C ATOM 0 H TRP A 24 -2.441 1.126 0.844 1.00 0.00 H new ATOM 0 HA TRP A 24 -2.773 2.292 3.489 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -4.866 3.091 3.391 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -4.261 3.621 1.835 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -5.315 2.383 -0.357 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.455 0.976 -0.762 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -6.338 1.397 4.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -9.337 -0.385 0.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -8.346 0.023 5.017 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -9.820 -0.858 3.291 1.00 0.00 H new ATOM 336 N SER A 25 -4.063 0.147 4.091 1.00 0.00 N ATOM 337 CA SER A 25 -4.410 -1.208 4.483 1.00 0.00 C ATOM 338 C SER A 25 -5.582 -1.184 5.466 1.00 0.00 C ATOM 339 O SER A 25 -5.836 -0.167 6.110 1.00 0.00 O ATOM 340 CB SER A 25 -3.210 -1.926 5.104 1.00 0.00 C ATOM 341 OG SER A 25 -2.527 -1.106 6.048 1.00 0.00 O ATOM 0 H SER A 25 -4.210 0.851 4.814 1.00 0.00 H new ATOM 0 HA SER A 25 -4.705 -1.758 3.589 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.548 -2.839 5.594 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.519 -2.225 4.316 1.00 0.00 H new ATOM 0 HG SER A 25 -1.769 -1.601 6.423 1.00 0.00 H new ATOM 347 N GLN A 26 -6.265 -2.316 5.551 1.00 0.00 N ATOM 348 CA GLN A 26 -7.404 -2.438 6.445 1.00 0.00 C ATOM 349 C GLN A 26 -7.056 -3.345 7.627 1.00 0.00 C ATOM 350 O GLN A 26 -6.722 -4.514 7.440 1.00 0.00 O ATOM 351 CB GLN A 26 -8.634 -2.958 5.698 1.00 0.00 C ATOM 352 CG GLN A 26 -8.388 -4.364 5.148 1.00 0.00 C ATOM 353 CD GLN A 26 -9.236 -5.399 5.890 1.00 0.00 C ATOM 354 OE1 GLN A 26 -9.725 -5.170 6.984 1.00 0.00 O ATOM 355 NE2 GLN A 26 -9.383 -6.547 5.235 1.00 0.00 N ATOM 0 H GLN A 26 -6.051 -3.157 5.015 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.646 -1.448 6.831 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.493 -2.971 6.369 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.880 -2.281 4.880 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.625 -4.389 4.084 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.332 -4.617 5.245 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.946 -6.673 4.322 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.932 -7.302 5.646 1.00 0.00 H new ATOM 364 N ASP A 27 -7.147 -2.772 8.818 1.00 0.00 N ATOM 365 CA ASP A 27 -6.846 -3.514 10.030 1.00 0.00 C ATOM 366 C ASP A 27 -8.139 -3.746 10.816 1.00 0.00 C ATOM 367 O ASP A 27 -9.215 -3.338 10.381 1.00 0.00 O ATOM 368 CB ASP A 27 -5.881 -2.737 10.927 1.00 0.00 C ATOM 369 CG ASP A 27 -4.426 -2.725 10.454 1.00 0.00 C ATOM 370 OD1 ASP A 27 -4.174 -2.087 9.409 1.00 0.00 O ATOM 371 OD2 ASP A 27 -3.598 -3.354 11.149 1.00 0.00 O ATOM 0 H ASP A 27 -7.425 -1.802 8.969 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.387 -4.459 9.741 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.230 -1.707 11.005 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.918 -3.163 11.930 1.00 0.00 H new ATOM 376 N TYR A 28 -7.991 -4.399 11.958 1.00 0.00 N ATOM 377 CA TYR A 28 -9.133 -4.690 12.808 1.00 0.00 C ATOM 378 C TYR A 28 -10.131 -3.530 12.801 1.00 0.00 C ATOM 379 O TYR A 28 -11.256 -3.678 12.328 1.00 0.00 O ATOM 380 CB TYR A 28 -8.574 -4.857 14.223 1.00 0.00 C ATOM 381 CG TYR A 28 -8.778 -6.255 14.810 1.00 0.00 C ATOM 382 CD1 TYR A 28 -7.912 -7.277 14.475 1.00 0.00 C ATOM 383 CD2 TYR A 28 -9.826 -6.495 15.675 1.00 0.00 C ATOM 384 CE1 TYR A 28 -8.104 -8.593 15.028 1.00 0.00 C ATOM 385 CE2 TYR A 28 -10.018 -7.810 16.228 1.00 0.00 C ATOM 386 CZ TYR A 28 -9.147 -8.795 15.877 1.00 0.00 C ATOM 387 OH TYR A 28 -9.328 -10.037 16.400 1.00 0.00 O ATOM 0 H TYR A 28 -7.097 -4.735 12.315 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.656 -5.580 12.457 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.508 -4.631 14.211 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -9.047 -4.126 14.879 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.091 -7.090 13.799 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.503 -5.695 15.937 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.434 -9.401 14.774 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.835 -8.010 16.906 1.00 0.00 H new ATOM 0 HH TYR A 28 -10.111 -10.033 16.990 1.00 0.00 H new ATOM 397 N THR A 29 -9.681 -2.401 13.331 1.00 0.00 N ATOM 398 CA THR A 29 -10.520 -1.217 13.391 1.00 0.00 C ATOM 399 C THR A 29 -9.670 0.047 13.250 1.00 0.00 C ATOM 400 O THR A 29 -9.431 0.751 14.230 1.00 0.00 O ATOM 401 CB THR A 29 -11.320 -1.270 14.695 1.00 0.00 C ATOM 402 OG1 THR A 29 -11.776 0.068 14.876 1.00 0.00 O ATOM 403 CG2 THR A 29 -10.434 -1.530 15.914 1.00 0.00 C ATOM 0 H THR A 29 -8.747 -2.282 13.722 1.00 0.00 H new ATOM 0 HA THR A 29 -11.226 -1.190 12.561 1.00 0.00 H new ATOM 0 HB THR A 29 -12.079 -2.049 14.625 1.00 0.00 H new ATOM 0 HG1 THR A 29 -11.007 0.661 15.008 1.00 0.00 H new ATOM 0 HG21 THR A 29 -11.050 -1.558 16.813 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.922 -2.485 15.795 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.697 -0.732 16.005 1.00 0.00 H new ATOM 411 N ASP A 30 -9.236 0.296 12.024 1.00 0.00 N ATOM 412 CA ASP A 30 -8.417 1.463 11.742 1.00 0.00 C ATOM 413 C ASP A 30 -7.792 1.319 10.353 1.00 0.00 C ATOM 414 O ASP A 30 -7.440 0.216 9.938 1.00 0.00 O ATOM 415 CB ASP A 30 -7.282 1.598 12.759 1.00 0.00 C ATOM 416 CG ASP A 30 -6.527 0.302 13.062 1.00 0.00 C ATOM 417 OD1 ASP A 30 -7.154 -0.591 13.671 1.00 0.00 O ATOM 418 OD2 ASP A 30 -5.340 0.233 12.676 1.00 0.00 O ATOM 0 H ASP A 30 -9.436 -0.290 11.214 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.056 2.344 11.796 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.571 2.337 12.391 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.693 1.987 13.690 1.00 0.00 H new ATOM 423 N LEU A 31 -7.673 2.450 9.673 1.00 0.00 N ATOM 424 CA LEU A 31 -7.097 2.464 8.339 1.00 0.00 C ATOM 425 C LEU A 31 -5.771 3.226 8.369 1.00 0.00 C ATOM 426 O LEU A 31 -5.726 4.385 8.779 1.00 0.00 O ATOM 427 CB LEU A 31 -8.102 3.018 7.327 1.00 0.00 C ATOM 428 CG LEU A 31 -9.512 2.426 7.389 1.00 0.00 C ATOM 429 CD1 LEU A 31 -10.403 3.233 8.336 1.00 0.00 C ATOM 430 CD2 LEU A 31 -10.120 2.309 5.990 1.00 0.00 C ATOM 0 H LEU A 31 -7.966 3.363 10.021 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.875 1.449 8.009 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.175 4.096 7.471 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.705 2.856 6.325 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.442 1.417 7.794 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.399 2.792 8.362 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.974 3.221 9.338 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.471 4.262 7.983 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.122 1.886 6.063 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.176 3.297 5.534 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.496 1.661 5.375 1.00 0.00 H new ATOM 442 N GLU A 32 -4.723 2.544 7.929 1.00 0.00 N ATOM 443 CA GLU A 32 -3.399 3.143 7.900 1.00 0.00 C ATOM 444 C GLU A 32 -2.953 3.376 6.455 1.00 0.00 C ATOM 445 O GLU A 32 -2.718 2.424 5.713 1.00 0.00 O ATOM 446 CB GLU A 32 -2.389 2.275 8.653 1.00 0.00 C ATOM 447 CG GLU A 32 -1.875 2.991 9.903 1.00 0.00 C ATOM 448 CD GLU A 32 -1.613 1.996 11.036 1.00 0.00 C ATOM 449 OE1 GLU A 32 -0.477 1.475 11.083 1.00 0.00 O ATOM 450 OE2 GLU A 32 -2.554 1.779 11.829 1.00 0.00 O ATOM 0 H GLU A 32 -4.764 1.583 7.590 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.447 4.108 8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.855 1.331 8.936 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.552 2.033 7.998 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.957 3.529 9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.605 3.733 10.227 1.00 0.00 H new ATOM 457 N VAL A 33 -2.851 4.648 6.099 1.00 0.00 N ATOM 458 CA VAL A 33 -2.438 5.018 4.756 1.00 0.00 C ATOM 459 C VAL A 33 -1.112 5.778 4.827 1.00 0.00 C ATOM 460 O VAL A 33 -0.948 6.673 5.655 1.00 0.00 O ATOM 461 CB VAL A 33 -3.548 5.816 4.068 1.00 0.00 C ATOM 462 CG1 VAL A 33 -4.340 6.641 5.084 1.00 0.00 C ATOM 463 CG2 VAL A 33 -2.978 6.707 2.963 1.00 0.00 C ATOM 0 H VAL A 33 -3.047 5.435 6.717 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.272 4.128 4.149 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.234 5.106 3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.122 7.199 4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.792 5.976 5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.670 7.337 5.588 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.787 7.263 2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.260 7.406 3.393 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.479 6.088 2.217 1.00 0.00 H new ATOM 473 N ARG A 34 -0.199 5.393 3.947 1.00 0.00 N ATOM 474 CA ARG A 34 1.108 6.026 3.899 1.00 0.00 C ATOM 475 C ARG A 34 1.333 6.676 2.532 1.00 0.00 C ATOM 476 O ARG A 34 1.086 6.056 1.499 1.00 0.00 O ATOM 477 CB ARG A 34 2.222 5.011 4.164 1.00 0.00 C ATOM 478 CG ARG A 34 2.506 4.887 5.662 1.00 0.00 C ATOM 479 CD ARG A 34 3.483 3.743 5.942 1.00 0.00 C ATOM 480 NE ARG A 34 3.392 3.336 7.362 1.00 0.00 N ATOM 481 CZ ARG A 34 2.329 2.724 7.901 1.00 0.00 C ATOM 482 NH1 ARG A 34 1.260 2.445 7.143 1.00 0.00 N ATOM 483 NH2 ARG A 34 2.335 2.391 9.199 1.00 0.00 N ATOM 0 H ARG A 34 -0.339 4.651 3.262 1.00 0.00 H new ATOM 0 HA ARG A 34 1.136 6.789 4.677 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.936 4.039 3.763 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.129 5.317 3.642 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.920 5.823 6.036 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.574 4.714 6.199 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.257 2.894 5.297 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.500 4.058 5.710 1.00 0.00 H new ATOM 0 HE ARG A 34 4.188 3.534 7.968 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.255 2.699 6.155 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.451 1.979 7.554 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.149 2.603 9.776 1.00 0.00 H new ATOM 0 HH22 ARG A 34 1.526 1.925 9.610 1.00 0.00 H new ATOM 497 N VAL A 35 1.800 7.915 2.572 1.00 0.00 N ATOM 498 CA VAL A 35 2.061 8.655 1.349 1.00 0.00 C ATOM 499 C VAL A 35 3.559 8.948 1.245 1.00 0.00 C ATOM 500 O VAL A 35 4.157 9.485 2.177 1.00 0.00 O ATOM 501 CB VAL A 35 1.201 9.920 1.308 1.00 0.00 C ATOM 502 CG1 VAL A 35 1.179 10.523 -0.097 1.00 0.00 C ATOM 503 CG2 VAL A 35 -0.217 9.634 1.805 1.00 0.00 C ATOM 0 H VAL A 35 2.004 8.425 3.431 1.00 0.00 H new ATOM 0 HA VAL A 35 1.784 8.061 0.478 1.00 0.00 H new ATOM 0 HB VAL A 35 1.650 10.653 1.979 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.561 11.421 -0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.194 10.781 -0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.766 9.797 -0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.808 10.549 1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.679 8.877 1.172 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.176 9.272 2.832 1.00 0.00 H new ATOM 513 N PRO A 36 4.139 8.572 0.073 1.00 0.00 N ATOM 514 CA PRO A 36 5.556 8.788 -0.164 1.00 0.00 C ATOM 515 C PRO A 36 5.844 10.263 -0.454 1.00 0.00 C ATOM 516 O PRO A 36 5.066 10.929 -1.135 1.00 0.00 O ATOM 517 CB PRO A 36 5.903 7.875 -1.328 1.00 0.00 C ATOM 518 CG PRO A 36 4.583 7.532 -1.998 1.00 0.00 C ATOM 519 CD PRO A 36 3.462 7.934 -1.052 1.00 0.00 C ATOM 0 HA PRO A 36 6.169 8.553 0.706 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.578 8.371 -2.026 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.410 6.975 -0.980 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.489 8.059 -2.948 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.533 6.466 -2.219 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.763 8.618 -1.534 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.887 7.067 -0.728 1.00 0.00 H new ATOM 527 N VAL A 37 6.965 10.729 0.077 1.00 0.00 N ATOM 528 CA VAL A 37 7.365 12.112 -0.116 1.00 0.00 C ATOM 529 C VAL A 37 8.777 12.152 -0.704 1.00 0.00 C ATOM 530 O VAL A 37 9.531 11.188 -0.584 1.00 0.00 O ATOM 531 CB VAL A 37 7.244 12.881 1.201 1.00 0.00 C ATOM 532 CG1 VAL A 37 5.811 12.833 1.734 1.00 0.00 C ATOM 533 CG2 VAL A 37 8.234 12.349 2.239 1.00 0.00 C ATOM 0 H VAL A 37 7.608 10.173 0.641 1.00 0.00 H new ATOM 0 HA VAL A 37 6.702 12.606 -0.827 1.00 0.00 H new ATOM 0 HB VAL A 37 7.493 13.924 1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.752 13.387 2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.136 13.281 1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.522 11.796 1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.127 12.913 3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.030 11.295 2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.251 12.459 1.862 1.00 0.00 H new ATOM 543 N PRO A 38 9.101 13.308 -1.343 1.00 0.00 N ATOM 544 CA PRO A 38 10.410 13.486 -1.950 1.00 0.00 C ATOM 545 C PRO A 38 11.479 13.736 -0.884 1.00 0.00 C ATOM 546 O PRO A 38 11.170 13.810 0.304 1.00 0.00 O ATOM 547 CB PRO A 38 10.243 14.654 -2.908 1.00 0.00 C ATOM 548 CG PRO A 38 8.984 15.381 -2.465 1.00 0.00 C ATOM 549 CD PRO A 38 8.234 14.471 -1.505 1.00 0.00 C ATOM 0 HA PRO A 38 10.752 12.598 -2.481 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.109 15.315 -2.872 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.151 14.305 -3.937 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.238 16.323 -1.979 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.361 15.625 -3.326 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.053 14.966 -0.551 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.261 14.187 -1.907 1.00 0.00 H new ATOM 557 N LYS A 39 12.714 13.857 -1.348 1.00 0.00 N ATOM 558 CA LYS A 39 13.831 14.097 -0.450 1.00 0.00 C ATOM 559 C LYS A 39 13.980 15.602 -0.218 1.00 0.00 C ATOM 560 O LYS A 39 15.007 16.057 0.283 1.00 0.00 O ATOM 561 CB LYS A 39 15.099 13.427 -0.981 1.00 0.00 C ATOM 562 CG LYS A 39 14.758 12.197 -1.825 1.00 0.00 C ATOM 563 CD LYS A 39 14.869 12.509 -3.319 1.00 0.00 C ATOM 564 CE LYS A 39 14.142 11.454 -4.155 1.00 0.00 C ATOM 565 NZ LYS A 39 12.676 11.611 -4.026 1.00 0.00 N ATOM 0 H LYS A 39 12.966 13.793 -2.334 1.00 0.00 H new ATOM 0 HA LYS A 39 13.642 13.642 0.523 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.666 14.138 -1.581 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.737 13.134 -0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.431 11.379 -1.570 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.747 11.862 -1.594 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.446 13.493 -3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.919 12.548 -3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.433 11.547 -5.201 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.437 10.457 -3.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.204 11.127 -4.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.360 11.194 -3.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.432 12.622 -4.044 1.00 0.00 H new ATOM 579 N HIS A 40 12.941 16.332 -0.595 1.00 0.00 N ATOM 580 CA HIS A 40 12.944 17.776 -0.435 1.00 0.00 C ATOM 581 C HIS A 40 11.851 18.185 0.554 1.00 0.00 C ATOM 582 O HIS A 40 11.723 19.361 0.892 1.00 0.00 O ATOM 583 CB HIS A 40 12.808 18.473 -1.791 1.00 0.00 C ATOM 584 CG HIS A 40 11.412 18.431 -2.365 1.00 0.00 C ATOM 585 ND1 HIS A 40 11.079 17.667 -3.470 1.00 0.00 N ATOM 586 CD2 HIS A 40 10.269 19.066 -1.977 1.00 0.00 C ATOM 587 CE1 HIS A 40 9.791 17.842 -3.727 1.00 0.00 C ATOM 588 NE2 HIS A 40 9.291 18.709 -2.800 1.00 0.00 N ATOM 0 H HIS A 40 12.091 15.951 -1.011 1.00 0.00 H new ATOM 0 HA HIS A 40 13.899 18.098 -0.020 1.00 0.00 H new ATOM 0 HB2 HIS A 40 13.116 19.513 -1.686 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.495 18.008 -2.498 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.176 19.744 -1.142 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.235 17.380 -4.529 1.00 0.00 H new ATOM 0 HE2 HIS A 40 8.324 19.030 -2.748 1.00 0.00 H new ATOM 596 N VAL A 41 11.091 17.192 0.991 1.00 0.00 N ATOM 597 CA VAL A 41 10.013 17.433 1.935 1.00 0.00 C ATOM 598 C VAL A 41 10.447 16.969 3.327 1.00 0.00 C ATOM 599 O VAL A 41 10.601 15.772 3.566 1.00 0.00 O ATOM 600 CB VAL A 41 8.731 16.754 1.450 1.00 0.00 C ATOM 601 CG1 VAL A 41 7.694 16.675 2.573 1.00 0.00 C ATOM 602 CG2 VAL A 41 8.160 17.471 0.225 1.00 0.00 C ATOM 0 H VAL A 41 11.200 16.218 0.709 1.00 0.00 H new ATOM 0 HA VAL A 41 9.794 18.499 2.002 1.00 0.00 H new ATOM 0 HB VAL A 41 8.983 15.736 1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.792 16.188 2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.101 16.100 3.404 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.449 17.681 2.914 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.249 16.968 -0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.931 18.505 0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.892 17.451 -0.582 1.00 0.00 H new ATOM 612 N VAL A 42 10.631 17.940 4.209 1.00 0.00 N ATOM 613 CA VAL A 42 11.044 17.646 5.571 1.00 0.00 C ATOM 614 C VAL A 42 10.099 18.348 6.549 1.00 0.00 C ATOM 615 O VAL A 42 9.713 17.773 7.565 1.00 0.00 O ATOM 616 CB VAL A 42 12.509 18.037 5.770 1.00 0.00 C ATOM 617 CG1 VAL A 42 13.439 17.083 5.017 1.00 0.00 C ATOM 618 CG2 VAL A 42 12.752 19.487 5.347 1.00 0.00 C ATOM 0 H VAL A 42 10.502 18.931 4.007 1.00 0.00 H new ATOM 0 HA VAL A 42 10.978 16.576 5.767 1.00 0.00 H new ATOM 0 HB VAL A 42 12.735 17.956 6.833 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.475 17.384 5.175 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.295 16.068 5.387 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.210 17.117 3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.801 19.739 5.499 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.499 19.606 4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 42 12.129 20.150 5.947 1.00 0.00 H new ATOM 628 N LYS A 43 9.755 19.581 6.207 1.00 0.00 N ATOM 629 CA LYS A 43 8.863 20.367 7.041 1.00 0.00 C ATOM 630 C LYS A 43 7.422 19.901 6.822 1.00 0.00 C ATOM 631 O LYS A 43 7.124 19.240 5.828 1.00 0.00 O ATOM 632 CB LYS A 43 9.071 21.862 6.788 1.00 0.00 C ATOM 633 CG LYS A 43 10.217 22.409 7.640 1.00 0.00 C ATOM 634 CD LYS A 43 10.897 23.593 6.950 1.00 0.00 C ATOM 635 CE LYS A 43 12.376 23.300 6.689 1.00 0.00 C ATOM 636 NZ LYS A 43 13.174 24.543 6.782 1.00 0.00 N ATOM 0 H LYS A 43 10.078 20.055 5.363 1.00 0.00 H new ATOM 0 HA LYS A 43 9.092 20.210 8.095 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.286 22.029 5.733 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.153 22.404 7.016 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.835 22.720 8.612 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.948 21.621 7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.393 23.807 6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.803 24.484 7.571 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.742 22.571 7.412 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.496 22.857 5.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.175 24.327 6.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.835 25.227 6.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.073 24.950 7.734 1.00 0.00 H new ATOM 650 N GLY A 44 6.567 20.262 7.767 1.00 0.00 N ATOM 651 CA GLY A 44 5.165 19.889 7.689 1.00 0.00 C ATOM 652 C GLY A 44 4.369 20.911 6.875 1.00 0.00 C ATOM 653 O GLY A 44 3.248 20.635 6.451 1.00 0.00 O ATOM 0 H GLY A 44 6.818 20.809 8.591 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.072 18.904 7.232 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.748 19.815 8.694 1.00 0.00 H new ATOM 657 N LYS A 45 4.981 22.070 6.680 1.00 0.00 N ATOM 658 CA LYS A 45 4.344 23.135 5.924 1.00 0.00 C ATOM 659 C LYS A 45 4.478 22.843 4.428 1.00 0.00 C ATOM 660 O LYS A 45 3.792 23.453 3.609 1.00 0.00 O ATOM 661 CB LYS A 45 4.906 24.496 6.338 1.00 0.00 C ATOM 662 CG LYS A 45 6.315 24.701 5.776 1.00 0.00 C ATOM 663 CD LYS A 45 6.776 26.148 5.967 1.00 0.00 C ATOM 664 CE LYS A 45 7.452 26.679 4.702 1.00 0.00 C ATOM 665 NZ LYS A 45 8.703 27.392 5.043 1.00 0.00 N ATOM 0 H LYS A 45 5.911 22.295 7.033 1.00 0.00 H new ATOM 0 HA LYS A 45 3.278 23.176 6.147 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.249 25.289 5.980 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.930 24.568 7.425 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.011 24.025 6.273 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.328 24.448 4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.921 26.776 6.218 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.470 26.205 6.806 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.670 25.853 4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.775 27.352 4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.149 27.746 4.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.486 28.192 5.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.354 26.740 5.525 1.00 0.00 H new ATOM 679 N GLN A 46 5.366 21.910 4.117 1.00 0.00 N ATOM 680 CA GLN A 46 5.598 21.530 2.734 1.00 0.00 C ATOM 681 C GLN A 46 4.577 20.480 2.293 1.00 0.00 C ATOM 682 O GLN A 46 4.625 19.998 1.163 1.00 0.00 O ATOM 683 CB GLN A 46 7.028 21.020 2.539 1.00 0.00 C ATOM 684 CG GLN A 46 8.050 22.084 2.943 1.00 0.00 C ATOM 685 CD GLN A 46 9.295 22.013 2.056 1.00 0.00 C ATOM 686 OE1 GLN A 46 9.583 22.904 1.273 1.00 0.00 O ATOM 687 NE2 GLN A 46 10.014 20.907 2.221 1.00 0.00 N ATOM 0 H GLN A 46 5.933 21.406 4.799 1.00 0.00 H new ATOM 0 HA GLN A 46 5.473 22.414 2.109 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.181 20.120 3.134 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.180 20.743 1.496 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.600 23.074 2.866 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.334 21.944 3.986 1.00 0.00 H new ATOM 0 HE21 GLN A 46 9.716 20.201 2.894 1.00 0.00 H new ATOM 0 HE22 GLN A 46 10.864 20.765 1.675 1.00 0.00 H new ATOM 696 N VAL A 47 3.675 20.157 3.209 1.00 0.00 N ATOM 697 CA VAL A 47 2.643 19.173 2.929 1.00 0.00 C ATOM 698 C VAL A 47 1.332 19.615 3.582 1.00 0.00 C ATOM 699 O VAL A 47 1.297 19.911 4.775 1.00 0.00 O ATOM 700 CB VAL A 47 3.102 17.788 3.389 1.00 0.00 C ATOM 701 CG1 VAL A 47 3.776 17.026 2.246 1.00 0.00 C ATOM 702 CG2 VAL A 47 4.030 17.892 4.601 1.00 0.00 C ATOM 0 H VAL A 47 3.638 20.559 4.146 1.00 0.00 H new ATOM 0 HA VAL A 47 2.464 19.102 1.856 1.00 0.00 H new ATOM 0 HB VAL A 47 2.218 17.226 3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.093 16.045 2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.071 16.905 1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.645 17.585 1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.341 16.893 4.908 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.908 18.481 4.337 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.502 18.376 5.423 1.00 0.00 H new ATOM 712 N SER A 48 0.285 19.648 2.770 1.00 0.00 N ATOM 713 CA SER A 48 -1.025 20.049 3.254 1.00 0.00 C ATOM 714 C SER A 48 -1.889 18.813 3.511 1.00 0.00 C ATOM 715 O SER A 48 -2.024 17.954 2.642 1.00 0.00 O ATOM 716 CB SER A 48 -1.717 20.983 2.258 1.00 0.00 C ATOM 717 OG SER A 48 -0.780 21.742 1.499 1.00 0.00 O ATOM 0 H SER A 48 0.318 19.404 1.780 1.00 0.00 H new ATOM 0 HA SER A 48 -0.893 20.592 4.190 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.340 20.396 1.583 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.381 21.660 2.796 1.00 0.00 H new ATOM 0 HG SER A 48 -1.260 22.324 0.874 1.00 0.00 H new ATOM 723 N VAL A 49 -2.451 18.763 4.710 1.00 0.00 N ATOM 724 CA VAL A 49 -3.299 17.647 5.093 1.00 0.00 C ATOM 725 C VAL A 49 -4.604 18.182 5.685 1.00 0.00 C ATOM 726 O VAL A 49 -4.585 18.938 6.655 1.00 0.00 O ATOM 727 CB VAL A 49 -2.544 16.721 6.049 1.00 0.00 C ATOM 728 CG1 VAL A 49 -3.501 15.747 6.739 1.00 0.00 C ATOM 729 CG2 VAL A 49 -1.429 15.969 5.318 1.00 0.00 C ATOM 0 H VAL A 49 -2.336 19.477 5.429 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.560 17.049 4.220 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.082 17.339 6.819 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.939 15.100 7.413 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.242 16.307 7.308 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.005 15.138 5.988 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.908 15.318 6.020 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.860 15.368 4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.724 16.685 4.895 1.00 0.00 H new ATOM 739 N ALA A 50 -5.706 17.769 5.076 1.00 0.00 N ATOM 740 CA ALA A 50 -7.018 18.198 5.531 1.00 0.00 C ATOM 741 C ALA A 50 -7.767 16.999 6.116 1.00 0.00 C ATOM 742 O ALA A 50 -8.219 16.125 5.378 1.00 0.00 O ATOM 743 CB ALA A 50 -7.773 18.848 4.371 1.00 0.00 C ATOM 0 H ALA A 50 -5.717 17.142 4.272 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.926 18.945 6.319 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.757 19.170 4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.213 19.711 4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.887 18.127 3.562 1.00 0.00 H new ATOM 749 N LEU A 51 -7.874 16.996 7.437 1.00 0.00 N ATOM 750 CA LEU A 51 -8.561 15.918 8.129 1.00 0.00 C ATOM 751 C LEU A 51 -10.051 16.251 8.229 1.00 0.00 C ATOM 752 O LEU A 51 -10.430 17.232 8.866 1.00 0.00 O ATOM 753 CB LEU A 51 -7.900 15.643 9.481 1.00 0.00 C ATOM 754 CG LEU A 51 -6.585 14.862 9.438 1.00 0.00 C ATOM 755 CD1 LEU A 51 -6.153 14.438 10.843 1.00 0.00 C ATOM 756 CD2 LEU A 51 -6.687 13.668 8.486 1.00 0.00 C ATOM 0 H LEU A 51 -7.497 17.722 8.046 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.479 14.989 7.565 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.717 16.598 9.974 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.606 15.093 10.103 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.810 15.521 9.047 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.216 13.885 10.784 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.013 15.323 11.463 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.922 13.804 11.284 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.739 13.130 8.474 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.479 13.000 8.824 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.916 14.023 7.481 1.00 0.00 H new ATOM 768 N SER A 52 -10.856 15.413 7.591 1.00 0.00 N ATOM 769 CA SER A 52 -12.296 15.606 7.601 1.00 0.00 C ATOM 770 C SER A 52 -12.992 14.323 8.060 1.00 0.00 C ATOM 771 O SER A 52 -12.553 13.222 7.732 1.00 0.00 O ATOM 772 CB SER A 52 -12.805 16.021 6.219 1.00 0.00 C ATOM 773 OG SER A 52 -11.785 16.633 5.435 1.00 0.00 O ATOM 0 H SER A 52 -10.538 14.599 7.064 1.00 0.00 H new ATOM 0 HA SER A 52 -12.529 16.409 8.300 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.188 15.145 5.696 1.00 0.00 H new ATOM 0 HB3 SER A 52 -13.639 16.714 6.333 1.00 0.00 H new ATOM 0 HG SER A 52 -11.138 15.954 5.152 1.00 0.00 H new ATOM 779 N SER A 53 -14.067 14.509 8.813 1.00 0.00 N ATOM 780 CA SER A 53 -14.828 13.380 9.321 1.00 0.00 C ATOM 781 C SER A 53 -15.183 12.430 8.175 1.00 0.00 C ATOM 782 O SER A 53 -15.383 11.236 8.393 1.00 0.00 O ATOM 783 CB SER A 53 -16.098 13.849 10.034 1.00 0.00 C ATOM 784 OG SER A 53 -15.873 15.024 10.808 1.00 0.00 O ATOM 0 H SER A 53 -14.428 15.424 9.083 1.00 0.00 H new ATOM 0 HA SER A 53 -14.211 12.850 10.046 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.877 14.044 9.297 1.00 0.00 H new ATOM 0 HB3 SER A 53 -16.465 13.053 10.682 1.00 0.00 H new ATOM 0 HG SER A 53 -16.708 15.292 11.246 1.00 0.00 H new ATOM 790 N SER A 54 -15.251 12.996 6.979 1.00 0.00 N ATOM 791 CA SER A 54 -15.578 12.214 5.799 1.00 0.00 C ATOM 792 C SER A 54 -14.881 12.803 4.571 1.00 0.00 C ATOM 793 O SER A 54 -15.528 13.096 3.566 1.00 0.00 O ATOM 794 CB SER A 54 -17.091 12.161 5.576 1.00 0.00 C ATOM 795 OG SER A 54 -17.577 13.333 4.926 1.00 0.00 O ATOM 0 H SER A 54 -15.085 13.987 6.802 1.00 0.00 H new ATOM 0 HA SER A 54 -15.225 11.195 5.955 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.338 11.285 4.976 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.595 12.043 6.535 1.00 0.00 H new ATOM 0 HG SER A 54 -17.154 13.419 4.046 1.00 0.00 H new ATOM 801 N SER A 55 -13.571 12.960 4.692 1.00 0.00 N ATOM 802 CA SER A 55 -12.779 13.509 3.605 1.00 0.00 C ATOM 803 C SER A 55 -11.337 13.730 4.067 1.00 0.00 C ATOM 804 O SER A 55 -11.103 14.257 5.153 1.00 0.00 O ATOM 805 CB SER A 55 -13.379 14.821 3.094 1.00 0.00 C ATOM 806 OG SER A 55 -14.455 15.270 3.913 1.00 0.00 O ATOM 0 H SER A 55 -13.038 12.716 5.527 1.00 0.00 H new ATOM 0 HA SER A 55 -12.785 12.793 2.783 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.604 15.586 3.062 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.734 14.684 2.072 1.00 0.00 H new ATOM 0 HG SER A 55 -15.286 14.837 3.627 1.00 0.00 H new ATOM 812 N ILE A 56 -10.408 13.315 3.218 1.00 0.00 N ATOM 813 CA ILE A 56 -8.995 13.460 3.526 1.00 0.00 C ATOM 814 C ILE A 56 -8.288 14.135 2.349 1.00 0.00 C ATOM 815 O ILE A 56 -8.749 14.049 1.212 1.00 0.00 O ATOM 816 CB ILE A 56 -8.390 12.109 3.915 1.00 0.00 C ATOM 817 CG1 ILE A 56 -6.946 12.273 4.394 1.00 0.00 C ATOM 818 CG2 ILE A 56 -8.502 11.107 2.765 1.00 0.00 C ATOM 819 CD1 ILE A 56 -5.990 12.430 3.210 1.00 0.00 C ATOM 0 H ILE A 56 -10.606 12.879 2.318 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.858 14.106 4.393 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.963 11.706 4.750 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -6.872 13.145 5.044 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.656 11.407 4.988 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.065 10.156 3.068 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.552 10.960 2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.969 11.491 1.895 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.971 12.545 3.578 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.049 11.546 2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.268 13.311 2.632 1.00 0.00 H new ATOM 831 N ARG A 57 -7.180 14.790 2.662 1.00 0.00 N ATOM 832 CA ARG A 57 -6.405 15.479 1.645 1.00 0.00 C ATOM 833 C ARG A 57 -4.910 15.358 1.944 1.00 0.00 C ATOM 834 O ARG A 57 -4.494 15.453 3.098 1.00 0.00 O ATOM 835 CB ARG A 57 -6.785 16.959 1.571 1.00 0.00 C ATOM 836 CG ARG A 57 -5.980 17.679 0.487 1.00 0.00 C ATOM 837 CD ARG A 57 -6.734 18.903 -0.035 1.00 0.00 C ATOM 838 NE ARG A 57 -5.813 19.781 -0.790 1.00 0.00 N ATOM 839 CZ ARG A 57 -6.214 20.724 -1.654 1.00 0.00 C ATOM 840 NH1 ARG A 57 -7.521 20.918 -1.876 1.00 0.00 N ATOM 841 NH2 ARG A 57 -5.307 21.475 -2.294 1.00 0.00 N ATOM 0 H ARG A 57 -6.800 14.858 3.606 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.626 15.010 0.686 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.850 17.054 1.361 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.606 17.433 2.536 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.015 17.987 0.890 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.778 16.994 -0.336 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.556 18.587 -0.677 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.173 19.453 0.798 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.811 19.661 -0.644 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.211 20.348 -1.387 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.826 21.636 -2.534 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.312 21.329 -2.124 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.612 22.193 -2.952 1.00 0.00 H new ATOM 855 N VAL A 58 -4.142 15.149 0.885 1.00 0.00 N ATOM 856 CA VAL A 58 -2.701 15.014 1.019 1.00 0.00 C ATOM 857 C VAL A 58 -2.016 15.698 -0.165 1.00 0.00 C ATOM 858 O VAL A 58 -2.239 15.325 -1.316 1.00 0.00 O ATOM 859 CB VAL A 58 -2.325 13.537 1.156 1.00 0.00 C ATOM 860 CG1 VAL A 58 -0.849 13.380 1.527 1.00 0.00 C ATOM 861 CG2 VAL A 58 -3.224 12.835 2.176 1.00 0.00 C ATOM 0 H VAL A 58 -4.490 15.070 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.354 15.510 1.925 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.480 13.060 0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.607 12.321 1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.229 13.828 0.750 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.658 13.879 2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.936 11.787 2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.115 13.315 3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.263 12.903 1.853 1.00 0.00 H new ATOM 871 N ALA A 59 -1.196 16.687 0.157 1.00 0.00 N ATOM 872 CA ALA A 59 -0.477 17.427 -0.866 1.00 0.00 C ATOM 873 C ALA A 59 0.938 17.732 -0.370 1.00 0.00 C ATOM 874 O ALA A 59 1.197 17.705 0.833 1.00 0.00 O ATOM 875 CB ALA A 59 -1.256 18.695 -1.223 1.00 0.00 C ATOM 0 H ALA A 59 -1.013 16.993 1.113 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.386 16.834 -1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.716 19.250 -1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.242 18.422 -1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.365 19.317 -0.335 1.00 0.00 H new ATOM 881 N MET A 60 1.816 18.015 -1.320 1.00 0.00 N ATOM 882 CA MET A 60 3.198 18.325 -0.994 1.00 0.00 C ATOM 883 C MET A 60 3.742 19.428 -1.905 1.00 0.00 C ATOM 884 O MET A 60 3.426 19.469 -3.093 1.00 0.00 O ATOM 885 CB MET A 60 4.054 17.066 -1.149 1.00 0.00 C ATOM 886 CG MET A 60 3.956 16.508 -2.571 1.00 0.00 C ATOM 887 SD MET A 60 5.582 16.083 -3.173 1.00 0.00 S ATOM 888 CE MET A 60 6.381 17.675 -3.058 1.00 0.00 C ATOM 0 H MET A 60 1.598 18.036 -2.316 1.00 0.00 H new ATOM 0 HA MET A 60 3.238 18.678 0.037 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.093 17.298 -0.916 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.728 16.310 -0.435 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.314 15.627 -2.582 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.497 17.246 -3.229 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.160 17.747 -3.817 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.645 18.464 -3.217 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.827 17.788 -2.070 1.00 0.00 H new ATOM 898 N LEU A 61 4.551 20.294 -1.313 1.00 0.00 N ATOM 899 CA LEU A 61 5.142 21.394 -2.056 1.00 0.00 C ATOM 900 C LEU A 61 6.281 20.861 -2.928 1.00 0.00 C ATOM 901 O LEU A 61 7.118 20.091 -2.460 1.00 0.00 O ATOM 902 CB LEU A 61 5.568 22.515 -1.105 1.00 0.00 C ATOM 903 CG LEU A 61 4.440 23.210 -0.340 1.00 0.00 C ATOM 904 CD1 LEU A 61 4.914 24.544 0.241 1.00 0.00 C ATOM 905 CD2 LEU A 61 3.201 23.376 -1.222 1.00 0.00 C ATOM 0 H LEU A 61 4.811 20.256 -0.327 1.00 0.00 H new ATOM 0 HA LEU A 61 4.407 21.839 -2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.271 22.103 -0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.107 23.267 -1.680 1.00 0.00 H new ATOM 0 HG LEU A 61 4.154 22.576 0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.094 25.018 0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.744 24.368 0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.242 25.197 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.414 23.873 -0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.454 23.978 -2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.851 22.396 -1.546 1.00 0.00 H new ATOM 917 N GLU A 62 6.275 21.292 -4.181 1.00 0.00 N ATOM 918 CA GLU A 62 7.297 20.868 -5.123 1.00 0.00 C ATOM 919 C GLU A 62 8.328 21.981 -5.324 1.00 0.00 C ATOM 920 O GLU A 62 9.370 21.992 -4.670 1.00 0.00 O ATOM 921 CB GLU A 62 6.674 20.450 -6.456 1.00 0.00 C ATOM 922 CG GLU A 62 6.041 19.061 -6.354 1.00 0.00 C ATOM 923 CD GLU A 62 6.918 18.008 -7.034 1.00 0.00 C ATOM 924 OE1 GLU A 62 6.979 18.040 -8.283 1.00 0.00 O ATOM 925 OE2 GLU A 62 7.507 17.194 -6.291 1.00 0.00 O ATOM 0 H GLU A 62 5.579 21.930 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 62 7.807 19.998 -4.709 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.918 21.177 -6.752 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.437 20.449 -7.234 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.898 18.799 -5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.054 19.072 -6.817 1.00 0.00 H new ATOM 932 N GLU A 63 8.001 22.889 -6.231 1.00 0.00 N ATOM 933 CA GLU A 63 8.886 24.004 -6.526 1.00 0.00 C ATOM 934 C GLU A 63 8.137 25.082 -7.312 1.00 0.00 C ATOM 935 O GLU A 63 8.239 26.267 -6.998 1.00 0.00 O ATOM 936 CB GLU A 63 10.126 23.532 -7.288 1.00 0.00 C ATOM 937 CG GLU A 63 11.306 24.477 -7.053 1.00 0.00 C ATOM 938 CD GLU A 63 12.081 24.720 -8.350 1.00 0.00 C ATOM 939 OE1 GLU A 63 11.411 24.830 -9.399 1.00 0.00 O ATOM 940 OE2 GLU A 63 13.326 24.789 -8.263 1.00 0.00 O ATOM 0 H GLU A 63 7.136 22.876 -6.771 1.00 0.00 H new ATOM 0 HA GLU A 63 9.222 24.436 -5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.393 22.525 -6.968 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.904 23.479 -8.354 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.943 25.426 -6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.972 24.053 -6.301 1.00 0.00 H new ATOM 947 N ASN A 64 7.401 24.633 -8.318 1.00 0.00 N ATOM 948 CA ASN A 64 6.636 25.545 -9.151 1.00 0.00 C ATOM 949 C ASN A 64 5.145 25.235 -9.002 1.00 0.00 C ATOM 950 O ASN A 64 4.342 25.601 -9.859 1.00 0.00 O ATOM 951 CB ASN A 64 7.007 25.386 -10.627 1.00 0.00 C ATOM 952 CG ASN A 64 8.017 26.451 -11.056 1.00 0.00 C ATOM 953 OD1 ASN A 64 8.578 27.173 -10.248 1.00 0.00 O ATOM 954 ND2 ASN A 64 8.217 26.509 -12.370 1.00 0.00 N ATOM 0 H ASN A 64 7.318 23.649 -8.575 1.00 0.00 H new ATOM 0 HA ASN A 64 6.860 26.563 -8.831 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.426 24.394 -10.796 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.110 25.462 -11.241 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.873 27.188 -12.757 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.714 25.875 -12.991 1.00 0.00 H new ATOM 961 N GLY A 65 4.819 24.563 -7.908 1.00 0.00 N ATOM 962 CA GLY A 65 3.439 24.200 -7.635 1.00 0.00 C ATOM 963 C GLY A 65 3.359 22.853 -6.912 1.00 0.00 C ATOM 964 O GLY A 65 3.928 21.864 -7.371 1.00 0.00 O ATOM 0 H GLY A 65 5.487 24.260 -7.200 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.970 24.972 -7.026 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.881 24.149 -8.570 1.00 0.00 H new ATOM 968 N GLU A 66 2.648 22.860 -5.794 1.00 0.00 N ATOM 969 CA GLU A 66 2.486 21.652 -5.003 1.00 0.00 C ATOM 970 C GLU A 66 1.698 20.603 -5.791 1.00 0.00 C ATOM 971 O GLU A 66 1.229 20.875 -6.896 1.00 0.00 O ATOM 972 CB GLU A 66 1.807 21.958 -3.667 1.00 0.00 C ATOM 973 CG GLU A 66 0.283 21.938 -3.809 1.00 0.00 C ATOM 974 CD GLU A 66 -0.183 22.951 -4.856 1.00 0.00 C ATOM 975 OE1 GLU A 66 0.385 24.065 -4.861 1.00 0.00 O ATOM 976 OE2 GLU A 66 -1.098 22.590 -5.628 1.00 0.00 O ATOM 0 H GLU A 66 2.178 23.683 -5.417 1.00 0.00 H new ATOM 0 HA GLU A 66 3.475 21.248 -4.786 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.116 21.225 -2.922 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.129 22.935 -3.306 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.046 20.938 -4.093 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.178 22.165 -2.848 1.00 0.00 H new ATOM 983 N ARG A 67 1.577 19.428 -5.193 1.00 0.00 N ATOM 984 CA ARG A 67 0.853 18.337 -5.825 1.00 0.00 C ATOM 985 C ARG A 67 0.050 17.558 -4.782 1.00 0.00 C ATOM 986 O ARG A 67 0.517 17.347 -3.663 1.00 0.00 O ATOM 987 CB ARG A 67 1.812 17.381 -6.538 1.00 0.00 C ATOM 988 CG ARG A 67 1.052 16.214 -7.171 1.00 0.00 C ATOM 989 CD ARG A 67 1.816 15.646 -8.368 1.00 0.00 C ATOM 990 NE ARG A 67 0.872 15.304 -9.455 1.00 0.00 N ATOM 991 CZ ARG A 67 0.331 16.201 -10.291 1.00 0.00 C ATOM 992 NH1 ARG A 67 0.637 17.499 -10.170 1.00 0.00 N ATOM 993 NH2 ARG A 67 -0.516 15.799 -11.248 1.00 0.00 N ATOM 0 H ARG A 67 1.968 19.206 -4.277 1.00 0.00 H new ATOM 0 HA ARG A 67 0.175 18.771 -6.560 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.364 17.921 -7.308 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.546 17.000 -5.828 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.898 15.431 -6.429 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.065 16.549 -7.491 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.545 16.374 -8.724 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.373 14.759 -8.067 1.00 0.00 H new ATOM 0 HE ARG A 67 0.617 14.324 -9.576 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.282 17.805 -9.442 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.225 18.182 -10.806 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.749 14.810 -11.340 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.928 16.482 -11.884 1.00 0.00 H new ATOM 1007 N VAL A 68 -1.145 17.152 -5.184 1.00 0.00 N ATOM 1008 CA VAL A 68 -2.018 16.401 -4.299 1.00 0.00 C ATOM 1009 C VAL A 68 -1.736 14.906 -4.458 1.00 0.00 C ATOM 1010 O VAL A 68 -2.219 14.276 -5.398 1.00 0.00 O ATOM 1011 CB VAL A 68 -3.479 16.766 -4.570 1.00 0.00 C ATOM 1012 CG1 VAL A 68 -4.423 15.938 -3.696 1.00 0.00 C ATOM 1013 CG2 VAL A 68 -3.717 18.264 -4.368 1.00 0.00 C ATOM 0 H VAL A 68 -1.529 17.329 -6.112 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.820 16.660 -3.259 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.695 16.530 -5.612 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.455 16.218 -3.909 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.282 14.879 -3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.205 16.127 -2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.763 18.496 -4.567 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.474 18.536 -3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.083 18.829 -5.052 1.00 0.00 H new ATOM 1023 N LEU A 69 -0.954 14.381 -3.526 1.00 0.00 N ATOM 1024 CA LEU A 69 -0.602 12.971 -3.552 1.00 0.00 C ATOM 1025 C LEU A 69 -1.873 12.130 -3.420 1.00 0.00 C ATOM 1026 O LEU A 69 -2.101 11.215 -4.210 1.00 0.00 O ATOM 1027 CB LEU A 69 0.453 12.664 -2.487 1.00 0.00 C ATOM 1028 CG LEU A 69 1.691 13.562 -2.490 1.00 0.00 C ATOM 1029 CD1 LEU A 69 2.617 13.225 -1.319 1.00 0.00 C ATOM 1030 CD2 LEU A 69 2.418 13.490 -3.835 1.00 0.00 C ATOM 0 H LEU A 69 -0.554 14.906 -2.748 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.145 12.709 -4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.019 12.733 -1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.778 11.631 -2.613 1.00 0.00 H new ATOM 0 HG LEU A 69 1.364 14.593 -2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.489 13.878 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.083 13.370 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.939 12.187 -1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.294 14.138 -3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.731 12.463 -4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.747 13.818 -4.629 1.00 0.00 H new ATOM 1042 N MET A 70 -2.667 12.468 -2.414 1.00 0.00 N ATOM 1043 CA MET A 70 -3.908 11.755 -2.169 1.00 0.00 C ATOM 1044 C MET A 70 -5.013 12.716 -1.724 1.00 0.00 C ATOM 1045 O MET A 70 -4.740 13.727 -1.079 1.00 0.00 O ATOM 1046 CB MET A 70 -3.684 10.698 -1.085 1.00 0.00 C ATOM 1047 CG MET A 70 -5.011 10.075 -0.645 1.00 0.00 C ATOM 1048 SD MET A 70 -4.733 8.937 0.701 1.00 0.00 S ATOM 1049 CE MET A 70 -6.363 8.224 0.846 1.00 0.00 C ATOM 0 H MET A 70 -2.474 13.226 -1.760 1.00 0.00 H new ATOM 0 HA MET A 70 -4.220 11.276 -3.097 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.020 9.920 -1.462 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.188 11.151 -0.227 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.704 10.857 -0.334 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.473 9.554 -1.483 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.277 7.173 1.122 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.926 8.756 1.613 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.883 8.307 -0.109 1.00 0.00 H new ATOM 1059 N GLU A 71 -6.239 12.366 -2.087 1.00 0.00 N ATOM 1060 CA GLU A 71 -7.386 13.184 -1.734 1.00 0.00 C ATOM 1061 C GLU A 71 -8.678 12.525 -2.221 1.00 0.00 C ATOM 1062 O GLU A 71 -8.647 11.664 -3.099 1.00 0.00 O ATOM 1063 CB GLU A 71 -7.246 14.599 -2.299 1.00 0.00 C ATOM 1064 CG GLU A 71 -8.209 15.564 -1.606 1.00 0.00 C ATOM 1065 CD GLU A 71 -9.577 15.560 -2.291 1.00 0.00 C ATOM 1066 OE1 GLU A 71 -9.588 15.662 -3.537 1.00 0.00 O ATOM 1067 OE2 GLU A 71 -10.581 15.455 -1.554 1.00 0.00 O ATOM 0 H GLU A 71 -6.462 11.527 -2.622 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.429 13.265 -0.648 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.221 14.947 -2.169 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.445 14.588 -3.371 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.322 15.282 -0.559 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.794 16.572 -1.621 1.00 0.00 H new ATOM 1074 N GLY A 72 -9.783 12.954 -1.629 1.00 0.00 N ATOM 1075 CA GLY A 72 -11.084 12.416 -1.992 1.00 0.00 C ATOM 1076 C GLY A 72 -11.969 12.243 -0.756 1.00 0.00 C ATOM 1077 O GLY A 72 -11.474 12.221 0.369 1.00 0.00 O ATOM 0 H GLY A 72 -9.805 13.668 -0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.572 13.083 -2.703 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.958 11.455 -2.491 1.00 0.00 H new ATOM 1081 N LYS A 73 -13.265 12.125 -1.008 1.00 0.00 N ATOM 1082 CA LYS A 73 -14.224 11.955 0.069 1.00 0.00 C ATOM 1083 C LYS A 73 -14.258 10.484 0.489 1.00 0.00 C ATOM 1084 O LYS A 73 -14.394 9.598 -0.353 1.00 0.00 O ATOM 1085 CB LYS A 73 -15.591 12.510 -0.337 1.00 0.00 C ATOM 1086 CG LYS A 73 -16.187 11.707 -1.495 1.00 0.00 C ATOM 1087 CD LYS A 73 -16.610 12.628 -2.641 1.00 0.00 C ATOM 1088 CE LYS A 73 -18.077 12.403 -3.011 1.00 0.00 C ATOM 1089 NZ LYS A 73 -18.182 11.648 -4.280 1.00 0.00 N ATOM 0 H LYS A 73 -13.673 12.144 -1.943 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.919 12.530 0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -16.268 12.480 0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -15.491 13.556 -0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.455 10.984 -1.856 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -17.048 11.139 -1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.460 13.668 -2.351 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.979 12.445 -3.511 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -18.580 11.856 -2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -18.585 13.363 -3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -19.184 11.504 -4.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.720 12.184 -5.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.715 10.725 -4.174 1.00 0.00 H new ATOM 1103 N LEU A 74 -14.133 10.270 1.790 1.00 0.00 N ATOM 1104 CA LEU A 74 -14.147 8.922 2.332 1.00 0.00 C ATOM 1105 C LEU A 74 -15.524 8.297 2.095 1.00 0.00 C ATOM 1106 O LEU A 74 -16.525 9.006 2.008 1.00 0.00 O ATOM 1107 CB LEU A 74 -13.720 8.929 3.801 1.00 0.00 C ATOM 1108 CG LEU A 74 -12.322 9.481 4.090 1.00 0.00 C ATOM 1109 CD1 LEU A 74 -12.167 9.830 5.571 1.00 0.00 C ATOM 1110 CD2 LEU A 74 -11.240 8.509 3.614 1.00 0.00 C ATOM 0 H LEU A 74 -14.021 11.008 2.485 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.418 8.297 1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -14.445 9.515 4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.771 7.908 4.179 1.00 0.00 H new ATOM 0 HG LEU A 74 -12.196 10.405 3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.165 10.220 5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.904 10.584 5.846 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.321 8.935 6.174 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -10.256 8.925 3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -11.353 7.556 4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.339 8.352 2.540 1.00 0.00 H new ATOM 1122 N THR A 75 -15.529 6.975 1.996 1.00 0.00 N ATOM 1123 CA THR A 75 -16.766 6.247 1.771 1.00 0.00 C ATOM 1124 C THR A 75 -17.573 6.153 3.067 1.00 0.00 C ATOM 1125 O THR A 75 -18.703 5.667 3.065 1.00 0.00 O ATOM 1126 CB THR A 75 -16.410 4.882 1.178 1.00 0.00 C ATOM 1127 OG1 THR A 75 -15.985 4.115 2.301 1.00 0.00 O ATOM 1128 CG2 THR A 75 -15.173 4.940 0.278 1.00 0.00 C ATOM 0 H THR A 75 -14.696 6.390 2.067 1.00 0.00 H new ATOM 0 HA THR A 75 -17.408 6.769 1.062 1.00 0.00 H new ATOM 0 HB THR A 75 -17.258 4.502 0.608 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.737 3.214 2.007 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.964 3.946 -0.117 1.00 0.00 H new ATOM 0 HG22 THR A 75 -15.356 5.628 -0.548 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.318 5.288 0.857 1.00 0.00 H new ATOM 1136 N HIS A 76 -16.962 6.628 4.143 1.00 0.00 N ATOM 1137 CA HIS A 76 -17.610 6.604 5.443 1.00 0.00 C ATOM 1138 C HIS A 76 -17.062 7.739 6.311 1.00 0.00 C ATOM 1139 O HIS A 76 -16.159 8.463 5.894 1.00 0.00 O ATOM 1140 CB HIS A 76 -17.461 5.230 6.100 1.00 0.00 C ATOM 1141 CG HIS A 76 -18.504 4.227 5.670 1.00 0.00 C ATOM 1142 ND1 HIS A 76 -19.849 4.540 5.571 1.00 0.00 N ATOM 1143 CD2 HIS A 76 -18.386 2.916 5.313 1.00 0.00 C ATOM 1144 CE1 HIS A 76 -20.501 3.457 5.173 1.00 0.00 C ATOM 1145 NE2 HIS A 76 -19.593 2.452 5.014 1.00 0.00 N ATOM 0 H HIS A 76 -16.025 7.032 4.141 1.00 0.00 H new ATOM 0 HA HIS A 76 -18.681 6.770 5.322 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -16.473 4.833 5.868 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -17.511 5.349 7.182 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -17.466 2.351 5.279 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -21.565 3.383 5.004 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -19.806 1.501 4.715 1.00 0.00 H new ATOM 1153 N LYS A 77 -17.631 7.858 7.501 1.00 0.00 N ATOM 1154 CA LYS A 77 -17.211 8.893 8.431 1.00 0.00 C ATOM 1155 C LYS A 77 -16.010 8.391 9.237 1.00 0.00 C ATOM 1156 O LYS A 77 -15.660 7.214 9.168 1.00 0.00 O ATOM 1157 CB LYS A 77 -18.388 9.345 9.298 1.00 0.00 C ATOM 1158 CG LYS A 77 -19.436 10.079 8.460 1.00 0.00 C ATOM 1159 CD LYS A 77 -20.128 11.170 9.280 1.00 0.00 C ATOM 1160 CE LYS A 77 -20.513 12.359 8.398 1.00 0.00 C ATOM 1161 NZ LYS A 77 -20.177 13.633 9.071 1.00 0.00 N ATOM 0 H LYS A 77 -18.379 7.255 7.843 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.884 9.781 7.890 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.843 8.479 9.779 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.029 9.999 10.092 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.961 10.523 7.585 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -20.177 9.368 8.095 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -21.020 10.762 9.755 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.466 11.505 10.079 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -19.990 12.296 7.444 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.580 12.327 8.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.445 14.430 8.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -20.695 13.698 9.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.154 13.668 9.257 1.00 0.00 H new ATOM 1175 N ILE A 78 -15.413 9.309 9.982 1.00 0.00 N ATOM 1176 CA ILE A 78 -14.260 8.975 10.800 1.00 0.00 C ATOM 1177 C ILE A 78 -14.159 9.965 11.962 1.00 0.00 C ATOM 1178 O ILE A 78 -14.757 11.039 11.920 1.00 0.00 O ATOM 1179 CB ILE A 78 -12.996 8.905 9.941 1.00 0.00 C ATOM 1180 CG1 ILE A 78 -12.640 10.282 9.377 1.00 0.00 C ATOM 1181 CG2 ILE A 78 -13.139 7.854 8.838 1.00 0.00 C ATOM 1182 CD1 ILE A 78 -11.443 10.885 10.116 1.00 0.00 C ATOM 0 H ILE A 78 -15.706 10.284 10.036 1.00 0.00 H new ATOM 0 HA ILE A 78 -14.378 7.983 11.236 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.168 8.593 10.577 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.410 10.196 8.315 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.499 10.948 9.464 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.227 7.825 8.242 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -13.310 6.876 9.287 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -13.982 8.111 8.197 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -11.211 11.863 9.695 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.685 10.993 11.173 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.580 10.229 10.006 1.00 0.00 H new ATOM 1194 N ASN A 79 -13.400 9.567 12.972 1.00 0.00 N ATOM 1195 CA ASN A 79 -13.213 10.406 14.144 1.00 0.00 C ATOM 1196 C ASN A 79 -11.926 11.218 13.985 1.00 0.00 C ATOM 1197 O ASN A 79 -10.919 10.922 14.627 1.00 0.00 O ATOM 1198 CB ASN A 79 -13.086 9.561 15.412 1.00 0.00 C ATOM 1199 CG ASN A 79 -13.540 10.347 16.644 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -12.928 11.321 17.051 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -14.644 9.872 17.212 1.00 0.00 N ATOM 0 H ASN A 79 -12.907 8.675 13.003 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.081 11.060 14.232 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -13.686 8.657 15.312 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -12.051 9.244 15.540 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -15.028 10.327 18.040 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -15.107 9.052 16.820 1.00 0.00 H new ATOM 1208 N THR A 80 -12.001 12.225 13.128 1.00 0.00 N ATOM 1209 CA THR A 80 -10.854 13.081 12.877 1.00 0.00 C ATOM 1210 C THR A 80 -10.074 13.321 14.171 1.00 0.00 C ATOM 1211 O THR A 80 -8.853 13.179 14.200 1.00 0.00 O ATOM 1212 CB THR A 80 -11.359 14.370 12.225 1.00 0.00 C ATOM 1213 OG1 THR A 80 -12.276 14.904 13.176 1.00 0.00 O ATOM 1214 CG2 THR A 80 -12.220 14.101 10.989 1.00 0.00 C ATOM 0 H THR A 80 -12.838 12.468 12.598 1.00 0.00 H new ATOM 0 HA THR A 80 -10.150 12.607 12.193 1.00 0.00 H new ATOM 0 HB THR A 80 -10.509 14.994 11.948 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.650 15.743 12.834 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.553 15.048 10.564 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.634 13.557 10.248 1.00 0.00 H new ATOM 0 HG23 THR A 80 -13.088 13.506 11.273 1.00 0.00 H new ATOM 1222 N GLU A 81 -10.812 13.679 15.211 1.00 0.00 N ATOM 1223 CA GLU A 81 -10.206 13.940 16.506 1.00 0.00 C ATOM 1224 C GLU A 81 -9.159 12.871 16.826 1.00 0.00 C ATOM 1225 O GLU A 81 -8.005 13.191 17.108 1.00 0.00 O ATOM 1226 CB GLU A 81 -11.268 14.014 17.604 1.00 0.00 C ATOM 1227 CG GLU A 81 -10.886 15.046 18.667 1.00 0.00 C ATOM 1228 CD GLU A 81 -11.886 15.037 19.825 1.00 0.00 C ATOM 1229 OE1 GLU A 81 -13.075 14.770 19.545 1.00 0.00 O ATOM 1230 OE2 GLU A 81 -11.440 15.297 20.963 1.00 0.00 O ATOM 0 H GLU A 81 -11.825 13.795 15.184 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.708 14.908 16.464 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.231 14.277 17.166 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -11.385 13.035 18.068 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.886 14.832 19.044 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.852 16.039 18.219 1.00 0.00 H new ATOM 1237 N SER A 82 -9.599 11.622 16.771 1.00 0.00 N ATOM 1238 CA SER A 82 -8.715 10.504 17.052 1.00 0.00 C ATOM 1239 C SER A 82 -7.705 10.337 15.915 1.00 0.00 C ATOM 1240 O SER A 82 -6.568 9.926 16.145 1.00 0.00 O ATOM 1241 CB SER A 82 -9.508 9.211 17.251 1.00 0.00 C ATOM 1242 OG SER A 82 -10.049 9.114 18.566 1.00 0.00 O ATOM 0 H SER A 82 -10.556 11.360 16.536 1.00 0.00 H new ATOM 0 HA SER A 82 -8.179 10.716 17.977 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.317 9.166 16.522 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.860 8.355 17.061 1.00 0.00 H new ATOM 0 HG SER A 82 -10.549 8.276 18.653 1.00 0.00 H new ATOM 1248 N SER A 83 -8.155 10.665 14.713 1.00 0.00 N ATOM 1249 CA SER A 83 -7.305 10.557 13.540 1.00 0.00 C ATOM 1250 C SER A 83 -6.133 11.534 13.651 1.00 0.00 C ATOM 1251 O SER A 83 -6.332 12.719 13.918 1.00 0.00 O ATOM 1252 CB SER A 83 -8.098 10.822 12.259 1.00 0.00 C ATOM 1253 OG SER A 83 -9.313 10.079 12.219 1.00 0.00 O ATOM 0 H SER A 83 -9.098 11.006 14.526 1.00 0.00 H new ATOM 0 HA SER A 83 -6.918 9.539 13.491 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.321 11.886 12.185 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.487 10.564 11.394 1.00 0.00 H new ATOM 0 HG SER A 83 -9.842 10.273 13.021 1.00 0.00 H new ATOM 1259 N LEU A 84 -4.938 11.002 13.440 1.00 0.00 N ATOM 1260 CA LEU A 84 -3.735 11.813 13.513 1.00 0.00 C ATOM 1261 C LEU A 84 -3.066 11.851 12.138 1.00 0.00 C ATOM 1262 O LEU A 84 -3.550 11.231 11.191 1.00 0.00 O ATOM 1263 CB LEU A 84 -2.817 11.310 14.630 1.00 0.00 C ATOM 1264 CG LEU A 84 -2.502 9.813 14.615 1.00 0.00 C ATOM 1265 CD1 LEU A 84 -1.934 9.385 13.261 1.00 0.00 C ATOM 1266 CD2 LEU A 84 -1.572 9.438 15.771 1.00 0.00 C ATOM 0 H LEU A 84 -4.777 10.019 13.219 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.984 12.841 13.775 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.877 11.860 14.576 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.275 11.555 15.588 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.434 9.266 14.760 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.719 8.317 13.278 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.662 9.596 12.478 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.016 9.937 13.061 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.363 8.369 15.738 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.638 9.993 15.681 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.051 9.685 16.718 1.00 0.00 H new ATOM 1278 N TRP A 85 -1.965 12.584 12.070 1.00 0.00 N ATOM 1279 CA TRP A 85 -1.225 12.711 10.826 1.00 0.00 C ATOM 1280 C TRP A 85 0.154 13.288 11.152 1.00 0.00 C ATOM 1281 O TRP A 85 0.258 14.387 11.694 1.00 0.00 O ATOM 1282 CB TRP A 85 -2.000 13.552 9.810 1.00 0.00 C ATOM 1283 CG TRP A 85 -1.500 14.993 9.685 1.00 0.00 C ATOM 1284 CD1 TRP A 85 -1.955 16.082 10.319 1.00 0.00 C ATOM 1285 CD2 TRP A 85 -0.424 15.459 8.844 1.00 0.00 C ATOM 1286 NE1 TRP A 85 -1.254 17.212 9.950 1.00 0.00 N ATOM 1287 CE2 TRP A 85 -0.293 16.821 9.025 1.00 0.00 C ATOM 1288 CE3 TRP A 85 0.411 14.754 7.960 1.00 0.00 C ATOM 1289 CZ2 TRP A 85 0.663 17.595 8.356 1.00 0.00 C ATOM 1290 CZ3 TRP A 85 1.362 15.541 7.300 1.00 0.00 C ATOM 1291 CH2 TRP A 85 1.506 16.913 7.470 1.00 0.00 C ATOM 0 H TRP A 85 -1.567 13.097 12.857 1.00 0.00 H new ATOM 0 HA TRP A 85 -1.092 11.737 10.356 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -1.939 13.071 8.834 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -3.052 13.567 10.093 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -2.768 16.076 11.030 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.412 18.160 10.293 1.00 0.00 H new ATOM 0 HE3 TRP A 85 0.326 13.689 7.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 0.746 18.660 8.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 2.031 15.048 6.610 1.00 0.00 H new ATOM 0 HH2 TRP A 85 2.265 17.451 6.921 1.00 0.00 H new ATOM 1302 N SER A 86 1.178 12.521 10.809 1.00 0.00 N ATOM 1303 CA SER A 86 2.546 12.942 11.059 1.00 0.00 C ATOM 1304 C SER A 86 3.336 12.958 9.749 1.00 0.00 C ATOM 1305 O SER A 86 3.157 12.084 8.901 1.00 0.00 O ATOM 1306 CB SER A 86 3.227 12.027 12.078 1.00 0.00 C ATOM 1307 OG SER A 86 3.009 12.463 13.417 1.00 0.00 O ATOM 0 H SER A 86 1.088 11.610 10.360 1.00 0.00 H new ATOM 0 HA SER A 86 2.523 13.949 11.475 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.850 11.011 11.962 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.298 11.994 11.877 1.00 0.00 H new ATOM 0 HG SER A 86 3.458 11.852 14.037 1.00 0.00 H new ATOM 1313 N LEU A 87 4.192 13.961 9.623 1.00 0.00 N ATOM 1314 CA LEU A 87 5.010 14.102 8.431 1.00 0.00 C ATOM 1315 C LEU A 87 6.436 13.639 8.738 1.00 0.00 C ATOM 1316 O LEU A 87 6.961 13.907 9.818 1.00 0.00 O ATOM 1317 CB LEU A 87 4.931 15.532 7.893 1.00 0.00 C ATOM 1318 CG LEU A 87 5.960 15.905 6.824 1.00 0.00 C ATOM 1319 CD1 LEU A 87 7.310 16.245 7.458 1.00 0.00 C ATOM 1320 CD2 LEU A 87 6.083 14.801 5.772 1.00 0.00 C ATOM 0 H LEU A 87 4.337 14.684 10.327 1.00 0.00 H new ATOM 0 HA LEU A 87 4.632 13.464 7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.935 15.689 7.480 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.041 16.221 8.731 1.00 0.00 H new ATOM 0 HG LEU A 87 5.610 16.801 6.311 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.023 16.507 6.677 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.191 17.089 8.138 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.679 15.382 8.012 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.821 15.092 5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.398 13.875 6.252 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.118 14.649 5.289 1.00 0.00 H new ATOM 1332 N GLU A 88 7.022 12.951 7.769 1.00 0.00 N ATOM 1333 CA GLU A 88 8.377 12.448 7.922 1.00 0.00 C ATOM 1334 C GLU A 88 9.284 13.027 6.834 1.00 0.00 C ATOM 1335 O GLU A 88 8.917 13.044 5.660 1.00 0.00 O ATOM 1336 CB GLU A 88 8.399 10.919 7.899 1.00 0.00 C ATOM 1337 CG GLU A 88 7.556 10.341 9.037 1.00 0.00 C ATOM 1338 CD GLU A 88 8.166 9.040 9.565 1.00 0.00 C ATOM 1339 OE1 GLU A 88 9.408 8.922 9.485 1.00 0.00 O ATOM 1340 OE2 GLU A 88 7.377 8.194 10.038 1.00 0.00 O ATOM 0 H GLU A 88 6.583 12.730 6.875 1.00 0.00 H new ATOM 0 HA GLU A 88 8.756 12.769 8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.019 10.561 6.942 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.426 10.565 7.987 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.484 11.068 9.846 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.542 10.154 8.685 1.00 0.00 H new ATOM 1347 N PRO A 89 10.481 13.498 7.274 1.00 0.00 N ATOM 1348 CA PRO A 89 11.443 14.076 6.351 1.00 0.00 C ATOM 1349 C PRO A 89 12.135 12.987 5.529 1.00 0.00 C ATOM 1350 O PRO A 89 12.728 12.065 6.087 1.00 0.00 O ATOM 1351 CB PRO A 89 12.406 14.861 7.227 1.00 0.00 C ATOM 1352 CG PRO A 89 12.225 14.319 8.635 1.00 0.00 C ATOM 1353 CD PRO A 89 10.948 13.494 8.657 1.00 0.00 C ATOM 0 HA PRO A 89 10.978 14.727 5.611 1.00 0.00 H new ATOM 0 HB2 PRO A 89 13.434 14.733 6.889 1.00 0.00 H new ATOM 0 HB3 PRO A 89 12.188 15.928 7.188 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.080 13.706 8.921 1.00 0.00 H new ATOM 0 HG3 PRO A 89 12.164 15.136 9.354 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.138 12.480 9.008 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.206 13.930 9.327 1.00 0.00 H new ATOM 1361 N GLY A 90 12.037 13.131 4.215 1.00 0.00 N ATOM 1362 CA GLY A 90 12.647 12.171 3.310 1.00 0.00 C ATOM 1363 C GLY A 90 12.161 10.751 3.608 1.00 0.00 C ATOM 1364 O GLY A 90 12.959 9.817 3.666 1.00 0.00 O ATOM 0 H GLY A 90 11.545 13.897 3.756 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.406 12.433 2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.732 12.215 3.405 1.00 0.00 H new ATOM 1368 N LYS A 91 10.854 10.633 3.789 1.00 0.00 N ATOM 1369 CA LYS A 91 10.252 9.343 4.080 1.00 0.00 C ATOM 1370 C LYS A 91 8.863 9.278 3.442 1.00 0.00 C ATOM 1371 O LYS A 91 8.739 9.079 2.235 1.00 0.00 O ATOM 1372 CB LYS A 91 10.249 9.080 5.587 1.00 0.00 C ATOM 1373 CG LYS A 91 11.550 8.405 6.028 1.00 0.00 C ATOM 1374 CD LYS A 91 11.297 6.962 6.467 1.00 0.00 C ATOM 1375 CE LYS A 91 11.914 6.690 7.841 1.00 0.00 C ATOM 1376 NZ LYS A 91 12.885 5.576 7.762 1.00 0.00 N ATOM 0 H LYS A 91 10.195 11.410 3.740 1.00 0.00 H new ATOM 0 HA LYS A 91 10.843 8.539 3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.123 10.020 6.124 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.400 8.448 5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.267 8.419 5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.995 8.966 6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.224 6.772 6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.719 6.276 5.733 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.411 7.588 8.207 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.129 6.446 8.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.294 5.405 8.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.401 4.716 7.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.643 5.823 7.095 1.00 0.00 H new ATOM 1390 N CYS A 92 7.852 9.449 4.282 1.00 0.00 N ATOM 1391 CA CYS A 92 6.477 9.412 3.816 1.00 0.00 C ATOM 1392 C CYS A 92 5.587 10.034 4.894 1.00 0.00 C ATOM 1393 O CYS A 92 6.070 10.415 5.959 1.00 0.00 O ATOM 1394 CB CYS A 92 6.037 7.989 3.464 1.00 0.00 C ATOM 1395 SG CYS A 92 6.767 6.798 4.645 1.00 0.00 S ATOM 0 H CYS A 92 7.959 9.614 5.283 1.00 0.00 H new ATOM 0 HA CYS A 92 6.387 9.988 2.895 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.950 7.919 3.490 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.348 7.744 2.449 1.00 0.00 H new ATOM 0 HG CYS A 92 6.385 5.594 4.339 1.00 0.00 H new ATOM 1401 N VAL A 93 4.302 10.118 4.579 1.00 0.00 N ATOM 1402 CA VAL A 93 3.341 10.688 5.508 1.00 0.00 C ATOM 1403 C VAL A 93 2.511 9.563 6.130 1.00 0.00 C ATOM 1404 O VAL A 93 2.092 8.638 5.435 1.00 0.00 O ATOM 1405 CB VAL A 93 2.486 11.738 4.797 1.00 0.00 C ATOM 1406 CG1 VAL A 93 1.354 12.229 5.702 1.00 0.00 C ATOM 1407 CG2 VAL A 93 3.345 12.907 4.311 1.00 0.00 C ATOM 0 H VAL A 93 3.905 9.801 3.695 1.00 0.00 H new ATOM 0 HA VAL A 93 3.854 11.202 6.321 1.00 0.00 H new ATOM 0 HB VAL A 93 2.036 11.267 3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.762 12.975 5.172 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.717 11.388 5.977 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.776 12.674 6.603 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.713 13.639 3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.837 13.376 5.163 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.098 12.540 3.614 1.00 0.00 H new ATOM 1417 N LEU A 94 2.298 9.678 7.432 1.00 0.00 N ATOM 1418 CA LEU A 94 1.526 8.682 8.156 1.00 0.00 C ATOM 1419 C LEU A 94 0.227 9.316 8.657 1.00 0.00 C ATOM 1420 O LEU A 94 0.249 10.374 9.284 1.00 0.00 O ATOM 1421 CB LEU A 94 2.370 8.052 9.265 1.00 0.00 C ATOM 1422 CG LEU A 94 1.831 6.749 9.860 1.00 0.00 C ATOM 1423 CD1 LEU A 94 0.485 6.977 10.550 1.00 0.00 C ATOM 1424 CD2 LEU A 94 1.751 5.652 8.795 1.00 0.00 C ATOM 0 H LEU A 94 2.647 10.446 8.005 1.00 0.00 H new ATOM 0 HA LEU A 94 1.247 7.862 7.495 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.369 7.863 8.871 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.477 8.779 10.070 1.00 0.00 H new ATOM 0 HG LEU A 94 2.530 6.407 10.623 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.124 6.035 10.964 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.606 7.704 11.353 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.236 7.354 9.825 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.365 4.737 9.244 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.086 5.971 7.993 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.745 5.466 8.389 1.00 0.00 H new ATOM 1436 N VAL A 95 -0.875 8.642 8.362 1.00 0.00 N ATOM 1437 CA VAL A 95 -2.182 9.126 8.774 1.00 0.00 C ATOM 1438 C VAL A 95 -3.006 7.957 9.316 1.00 0.00 C ATOM 1439 O VAL A 95 -2.967 6.857 8.766 1.00 0.00 O ATOM 1440 CB VAL A 95 -2.863 9.850 7.611 1.00 0.00 C ATOM 1441 CG1 VAL A 95 -4.292 10.253 7.978 1.00 0.00 C ATOM 1442 CG2 VAL A 95 -2.047 11.065 7.168 1.00 0.00 C ATOM 0 H VAL A 95 -0.890 7.764 7.842 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.083 9.855 9.579 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.916 9.158 6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.754 10.766 7.134 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.870 9.362 8.221 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.272 10.919 8.841 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.554 11.561 6.340 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.948 11.760 8.002 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.057 10.741 6.846 1.00 0.00 H new ATOM 1452 N ASN A 96 -3.734 8.234 10.388 1.00 0.00 N ATOM 1453 CA ASN A 96 -4.566 7.219 11.010 1.00 0.00 C ATOM 1454 C ASN A 96 -6.027 7.673 10.979 1.00 0.00 C ATOM 1455 O ASN A 96 -6.380 8.682 11.589 1.00 0.00 O ATOM 1456 CB ASN A 96 -4.170 7.001 12.472 1.00 0.00 C ATOM 1457 CG ASN A 96 -3.068 5.947 12.590 1.00 0.00 C ATOM 1458 OD1 ASN A 96 -2.023 6.165 11.797 1.00 0.00 O flip ATOM 1459 ND2 ASN A 96 -3.160 4.998 13.351 1.00 0.00 N flip ATOM 0 H ASN A 96 -3.765 9.147 10.841 1.00 0.00 H new ATOM 0 HA ASN A 96 -4.432 6.289 10.457 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.827 7.941 12.904 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -5.042 6.687 13.046 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -3.991 4.890 13.933 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.406 4.313 13.405 1.00 0.00 H new ATOM 1466 N LEU A 97 -6.836 6.908 10.262 1.00 0.00 N ATOM 1467 CA LEU A 97 -8.251 7.219 10.144 1.00 0.00 C ATOM 1468 C LEU A 97 -9.039 6.388 11.158 1.00 0.00 C ATOM 1469 O LEU A 97 -9.119 5.167 11.037 1.00 0.00 O ATOM 1470 CB LEU A 97 -8.721 7.034 8.700 1.00 0.00 C ATOM 1471 CG LEU A 97 -8.099 7.975 7.666 1.00 0.00 C ATOM 1472 CD1 LEU A 97 -8.998 8.108 6.435 1.00 0.00 C ATOM 1473 CD2 LEU A 97 -7.775 9.335 8.288 1.00 0.00 C ATOM 0 H LEU A 97 -6.539 6.073 9.757 1.00 0.00 H new ATOM 0 HA LEU A 97 -8.431 8.267 10.383 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.512 6.007 8.400 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.803 7.160 8.672 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.157 7.541 7.332 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.533 8.782 5.716 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.136 7.128 5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.967 8.508 6.734 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.334 9.985 7.532 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.690 9.789 8.668 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.069 9.201 9.108 1.00 0.00 H new ATOM 1485 N SER A 98 -9.601 7.084 12.136 1.00 0.00 N ATOM 1486 CA SER A 98 -10.379 6.425 13.171 1.00 0.00 C ATOM 1487 C SER A 98 -11.696 5.910 12.587 1.00 0.00 C ATOM 1488 O SER A 98 -12.326 6.585 11.775 1.00 0.00 O ATOM 1489 CB SER A 98 -10.653 7.372 14.341 1.00 0.00 C ATOM 1490 OG SER A 98 -11.211 6.690 15.461 1.00 0.00 O ATOM 0 H SER A 98 -9.533 8.097 12.233 1.00 0.00 H new ATOM 0 HA SER A 98 -9.801 5.582 13.548 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.724 7.858 14.639 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.335 8.158 14.019 1.00 0.00 H new ATOM 0 HG SER A 98 -10.816 7.040 16.287 1.00 0.00 H new ATOM 1496 N LYS A 99 -12.073 4.717 13.023 1.00 0.00 N ATOM 1497 CA LYS A 99 -13.303 4.103 12.554 1.00 0.00 C ATOM 1498 C LYS A 99 -14.482 4.652 13.359 1.00 0.00 C ATOM 1499 O LYS A 99 -14.432 4.697 14.587 1.00 0.00 O ATOM 1500 CB LYS A 99 -13.190 2.577 12.593 1.00 0.00 C ATOM 1501 CG LYS A 99 -12.766 2.024 11.231 1.00 0.00 C ATOM 1502 CD LYS A 99 -13.377 0.643 10.986 1.00 0.00 C ATOM 1503 CE LYS A 99 -13.216 0.224 9.523 1.00 0.00 C ATOM 1504 NZ LYS A 99 -14.376 -0.584 9.085 1.00 0.00 N ATOM 0 H LYS A 99 -11.548 4.159 13.696 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.482 4.360 11.510 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.465 2.282 13.351 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.148 2.145 12.883 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.079 2.709 10.443 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.679 1.958 11.183 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.897 -0.091 11.633 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.435 0.657 11.250 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.123 1.109 8.893 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.298 -0.351 9.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.122 -1.121 8.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.645 -1.244 9.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -15.177 0.045 8.873 1.00 0.00 H new ATOM 1518 N VAL A 100 -15.515 5.057 12.635 1.00 0.00 N ATOM 1519 CA VAL A 100 -16.705 5.601 13.267 1.00 0.00 C ATOM 1520 C VAL A 100 -17.876 4.641 13.053 1.00 0.00 C ATOM 1521 O VAL A 100 -18.560 4.707 12.033 1.00 0.00 O ATOM 1522 CB VAL A 100 -16.982 7.009 12.735 1.00 0.00 C ATOM 1523 CG1 VAL A 100 -18.424 7.430 13.023 1.00 0.00 C ATOM 1524 CG2 VAL A 100 -15.990 8.019 13.314 1.00 0.00 C ATOM 0 H VAL A 100 -15.553 5.019 11.616 1.00 0.00 H new ATOM 0 HA VAL A 100 -16.556 5.697 14.343 1.00 0.00 H new ATOM 0 HB VAL A 100 -16.848 6.991 11.653 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -18.594 8.434 12.635 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -19.110 6.733 12.541 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -18.597 7.423 14.099 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -16.209 9.011 12.920 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -16.077 8.033 14.400 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -14.976 7.734 13.035 1.00 0.00 H new ATOM 1534 N GLY A 101 -18.071 3.769 14.032 1.00 0.00 N ATOM 1535 CA GLY A 101 -19.148 2.796 13.964 1.00 0.00 C ATOM 1536 C GLY A 101 -18.785 1.641 13.029 1.00 0.00 C ATOM 1537 O GLY A 101 -18.056 1.831 12.056 1.00 0.00 O ATOM 0 H GLY A 101 -17.501 3.716 14.876 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -19.357 2.409 14.961 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -20.059 3.281 13.613 1.00 0.00 H new ATOM 1541 N GLU A 102 -19.310 0.469 13.355 1.00 0.00 N ATOM 1542 CA GLU A 102 -19.051 -0.716 12.556 1.00 0.00 C ATOM 1543 C GLU A 102 -19.699 -0.579 11.177 1.00 0.00 C ATOM 1544 O GLU A 102 -20.872 -0.906 11.003 1.00 0.00 O ATOM 1545 CB GLU A 102 -19.542 -1.977 13.270 1.00 0.00 C ATOM 1546 CG GLU A 102 -21.021 -1.855 13.641 1.00 0.00 C ATOM 1547 CD GLU A 102 -21.782 -3.136 13.292 1.00 0.00 C ATOM 1548 OE1 GLU A 102 -21.953 -3.382 12.079 1.00 0.00 O ATOM 1549 OE2 GLU A 102 -22.175 -3.840 14.247 1.00 0.00 O ATOM 0 H GLU A 102 -19.914 0.315 14.162 1.00 0.00 H new ATOM 0 HA GLU A 102 -17.974 -0.811 12.421 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -19.395 -2.844 12.626 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -18.950 -2.144 14.170 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -21.116 -1.650 14.707 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -21.463 -1.010 13.113 1.00 0.00 H new ATOM 1556 N TYR A 103 -18.906 -0.094 10.232 1.00 0.00 N ATOM 1557 CA TYR A 103 -19.388 0.090 8.873 1.00 0.00 C ATOM 1558 C TYR A 103 -18.434 -0.548 7.862 1.00 0.00 C ATOM 1559 O TYR A 103 -17.239 -0.674 8.124 1.00 0.00 O ATOM 1560 CB TYR A 103 -19.424 1.602 8.640 1.00 0.00 C ATOM 1561 CG TYR A 103 -20.734 2.267 9.067 1.00 0.00 C ATOM 1562 CD1 TYR A 103 -21.785 2.354 8.178 1.00 0.00 C ATOM 1563 CD2 TYR A 103 -20.864 2.780 10.342 1.00 0.00 C ATOM 1564 CE1 TYR A 103 -23.018 2.980 8.580 1.00 0.00 C ATOM 1565 CE2 TYR A 103 -22.097 3.406 10.744 1.00 0.00 C ATOM 1566 CZ TYR A 103 -23.113 3.475 9.843 1.00 0.00 C ATOM 1567 OH TYR A 103 -24.278 4.066 10.223 1.00 0.00 O ATOM 0 H TYR A 103 -17.934 0.177 10.380 1.00 0.00 H new ATOM 0 HA TYR A 103 -20.365 -0.376 8.745 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -18.600 2.063 9.185 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -19.256 1.800 7.581 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -21.683 1.953 7.181 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -20.041 2.712 11.038 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -23.849 3.055 7.894 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -22.212 3.811 11.738 1.00 0.00 H new ATOM 0 HH TYR A 103 -24.202 4.372 11.151 1.00 0.00 H new ATOM 1577 N TRP A 104 -18.997 -0.933 6.726 1.00 0.00 N ATOM 1578 CA TRP A 104 -18.212 -1.554 5.674 1.00 0.00 C ATOM 1579 C TRP A 104 -17.510 -0.444 4.889 1.00 0.00 C ATOM 1580 O TRP A 104 -18.161 0.468 4.380 1.00 0.00 O ATOM 1581 CB TRP A 104 -19.085 -2.449 4.792 1.00 0.00 C ATOM 1582 CG TRP A 104 -18.385 -3.719 4.307 1.00 0.00 C ATOM 1583 CD1 TRP A 104 -17.372 -3.821 3.435 1.00 0.00 C ATOM 1584 CD2 TRP A 104 -18.688 -5.074 4.703 1.00 0.00 C ATOM 1585 NE1 TRP A 104 -17.002 -5.136 3.241 1.00 0.00 N ATOM 1586 CE2 TRP A 104 -17.827 -5.922 4.037 1.00 0.00 C ATOM 1587 CE3 TRP A 104 -19.657 -5.565 5.595 1.00 0.00 C ATOM 1588 CZ2 TRP A 104 -17.849 -7.313 4.192 1.00 0.00 C ATOM 1589 CZ3 TRP A 104 -19.666 -6.958 5.739 1.00 0.00 C ATOM 1590 CH2 TRP A 104 -18.806 -7.826 5.076 1.00 0.00 C ATOM 0 H TRP A 104 -19.988 -0.826 6.512 1.00 0.00 H new ATOM 0 HA TRP A 104 -17.455 -2.214 6.098 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -19.979 -2.730 5.349 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -19.416 -1.876 3.926 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -16.904 -2.979 2.946 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -16.260 -5.470 2.626 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -20.340 -4.919 6.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -17.165 -7.956 3.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -20.392 -7.388 6.413 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -18.876 -8.891 5.242 1.00 0.00 H new ATOM 1601 N TRP A 105 -16.192 -0.557 4.815 1.00 0.00 N ATOM 1602 CA TRP A 105 -15.395 0.425 4.101 1.00 0.00 C ATOM 1603 C TRP A 105 -15.016 -0.170 2.743 1.00 0.00 C ATOM 1604 O TRP A 105 -15.526 0.258 1.709 1.00 0.00 O ATOM 1605 CB TRP A 105 -14.180 0.852 4.927 1.00 0.00 C ATOM 1606 CG TRP A 105 -14.438 2.054 5.838 1.00 0.00 C ATOM 1607 CD1 TRP A 105 -15.243 2.121 6.907 1.00 0.00 C ATOM 1608 CD2 TRP A 105 -13.852 3.367 5.715 1.00 0.00 C ATOM 1609 NE1 TRP A 105 -15.219 3.376 7.481 1.00 0.00 N ATOM 1610 CE2 TRP A 105 -14.346 4.158 6.733 1.00 0.00 C ATOM 1611 CE3 TRP A 105 -12.935 3.870 4.776 1.00 0.00 C ATOM 1612 CZ2 TRP A 105 -13.981 5.498 6.908 1.00 0.00 C ATOM 1613 CZ3 TRP A 105 -12.580 5.211 4.965 1.00 0.00 C ATOM 1614 CH2 TRP A 105 -13.068 6.020 5.984 1.00 0.00 C ATOM 0 H TRP A 105 -15.656 -1.315 5.238 1.00 0.00 H new ATOM 0 HA TRP A 105 -15.967 1.337 3.934 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -13.854 0.010 5.537 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -13.360 1.091 4.250 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -15.836 1.296 7.274 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -15.745 3.675 8.302 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -12.536 3.269 3.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -14.382 6.097 7.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -11.878 5.647 4.270 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -12.744 7.047 6.063 1.00 0.00 H new ATOM 1625 N ASN A 106 -14.123 -1.148 2.790 1.00 0.00 N ATOM 1626 CA ASN A 106 -13.669 -1.806 1.577 1.00 0.00 C ATOM 1627 C ASN A 106 -12.608 -0.938 0.897 1.00 0.00 C ATOM 1628 O ASN A 106 -11.516 -1.413 0.591 1.00 0.00 O ATOM 1629 CB ASN A 106 -14.823 -2.000 0.592 1.00 0.00 C ATOM 1630 CG ASN A 106 -14.807 -3.412 0.000 1.00 0.00 C ATOM 1631 OD1 ASN A 106 -14.031 -4.268 0.391 1.00 0.00 O ATOM 1632 ND2 ASN A 106 -15.706 -3.606 -0.961 1.00 0.00 N ATOM 0 H ASN A 106 -13.702 -1.500 3.650 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.262 -2.779 1.853 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.772 -1.825 1.099 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.749 -1.265 -0.209 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.776 -4.515 -1.418 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -16.326 -2.846 -1.241 1.00 0.00 H new ATOM 1639 N ALA A 107 -12.967 0.319 0.682 1.00 0.00 N ATOM 1640 CA ALA A 107 -12.060 1.258 0.044 1.00 0.00 C ATOM 1641 C ALA A 107 -11.930 2.508 0.916 1.00 0.00 C ATOM 1642 O ALA A 107 -12.771 2.757 1.779 1.00 0.00 O ATOM 1643 CB ALA A 107 -12.564 1.579 -1.365 1.00 0.00 C ATOM 0 H ALA A 107 -13.874 0.709 0.938 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.066 0.822 -0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -11.883 2.283 -1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.609 0.662 -1.953 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.559 2.020 -1.304 1.00 0.00 H new ATOM 1649 N ILE A 108 -10.871 3.262 0.660 1.00 0.00 N ATOM 1650 CA ILE A 108 -10.621 4.480 1.411 1.00 0.00 C ATOM 1651 C ILE A 108 -11.557 5.583 0.912 1.00 0.00 C ATOM 1652 O ILE A 108 -12.396 6.077 1.663 1.00 0.00 O ATOM 1653 CB ILE A 108 -9.139 4.855 1.346 1.00 0.00 C ATOM 1654 CG1 ILE A 108 -8.276 3.799 2.039 1.00 0.00 C ATOM 1655 CG2 ILE A 108 -8.902 6.255 1.918 1.00 0.00 C ATOM 1656 CD1 ILE A 108 -8.139 4.097 3.534 1.00 0.00 C ATOM 0 H ILE A 108 -10.176 3.053 -0.057 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.841 4.328 2.468 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.838 4.880 0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.720 2.813 1.900 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.289 3.772 1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.841 6.497 1.860 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.472 6.984 1.343 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.224 6.282 2.959 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.521 3.331 4.003 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.672 5.073 3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.126 4.100 3.996 1.00 0.00 H new ATOM 1668 N LEU A 109 -11.380 5.937 -0.353 1.00 0.00 N ATOM 1669 CA LEU A 109 -12.199 6.972 -0.961 1.00 0.00 C ATOM 1670 C LEU A 109 -13.337 6.320 -1.748 1.00 0.00 C ATOM 1671 O LEU A 109 -13.288 5.127 -2.044 1.00 0.00 O ATOM 1672 CB LEU A 109 -11.333 7.916 -1.799 1.00 0.00 C ATOM 1673 CG LEU A 109 -10.078 8.460 -1.114 1.00 0.00 C ATOM 1674 CD1 LEU A 109 -9.199 9.222 -2.108 1.00 0.00 C ATOM 1675 CD2 LEU A 109 -10.443 9.315 0.101 1.00 0.00 C ATOM 0 H LEU A 109 -10.682 5.526 -0.973 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.659 7.594 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -11.030 7.391 -2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.948 8.760 -2.111 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.494 7.615 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.313 9.599 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -8.896 8.553 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.761 10.058 -2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.533 9.689 0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.059 10.156 -0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -10.998 8.710 0.818 1.00 0.00 H new ATOM 1687 N GLU A 110 -14.336 7.131 -2.065 1.00 0.00 N ATOM 1688 CA GLU A 110 -15.484 6.648 -2.812 1.00 0.00 C ATOM 1689 C GLU A 110 -15.087 6.341 -4.257 1.00 0.00 C ATOM 1690 O GLU A 110 -15.872 5.771 -5.013 1.00 0.00 O ATOM 1691 CB GLU A 110 -16.634 7.655 -2.762 1.00 0.00 C ATOM 1692 CG GLU A 110 -17.441 7.503 -1.471 1.00 0.00 C ATOM 1693 CD GLU A 110 -18.902 7.905 -1.686 1.00 0.00 C ATOM 1694 OE1 GLU A 110 -19.114 8.906 -2.404 1.00 0.00 O ATOM 1695 OE2 GLU A 110 -19.772 7.204 -1.127 1.00 0.00 O ATOM 0 H GLU A 110 -14.374 8.120 -1.818 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.832 5.725 -2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -16.238 8.668 -2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -17.287 7.509 -3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -17.391 6.470 -1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -17.001 8.121 -0.688 1.00 0.00 H new ATOM 1702 N GLY A 111 -13.868 6.732 -4.597 1.00 0.00 N ATOM 1703 CA GLY A 111 -13.356 6.506 -5.939 1.00 0.00 C ATOM 1704 C GLY A 111 -12.163 5.548 -5.916 1.00 0.00 C ATOM 1705 O GLY A 111 -11.169 5.772 -6.605 1.00 0.00 O ATOM 0 H GLY A 111 -13.219 7.204 -3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -14.145 6.095 -6.569 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -13.056 7.455 -6.383 1.00 0.00 H new ATOM 1709 N GLU A 112 -12.301 4.500 -5.117 1.00 0.00 N ATOM 1710 CA GLU A 112 -11.247 3.507 -4.996 1.00 0.00 C ATOM 1711 C GLU A 112 -11.843 2.098 -4.993 1.00 0.00 C ATOM 1712 O GLU A 112 -12.677 1.775 -4.148 1.00 0.00 O ATOM 1713 CB GLU A 112 -10.407 3.750 -3.741 1.00 0.00 C ATOM 1714 CG GLU A 112 -9.359 2.650 -3.562 1.00 0.00 C ATOM 1715 CD GLU A 112 -8.749 2.697 -2.159 1.00 0.00 C ATOM 1716 OE1 GLU A 112 -9.482 2.345 -1.210 1.00 0.00 O ATOM 1717 OE2 GLU A 112 -7.564 3.084 -2.068 1.00 0.00 O ATOM 0 H GLU A 112 -13.127 4.317 -4.547 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.587 3.599 -5.858 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -9.914 4.719 -3.811 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.056 3.785 -2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.817 1.675 -3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -8.573 2.767 -4.308 1.00 0.00 H new ATOM 1724 N GLU A 113 -11.392 1.297 -5.947 1.00 0.00 N ATOM 1725 CA GLU A 113 -11.870 -0.070 -6.065 1.00 0.00 C ATOM 1726 C GLU A 113 -11.960 -0.722 -4.684 1.00 0.00 C ATOM 1727 O GLU A 113 -11.170 -0.410 -3.794 1.00 0.00 O ATOM 1728 CB GLU A 113 -10.974 -0.885 -6.999 1.00 0.00 C ATOM 1729 CG GLU A 113 -11.212 -0.501 -8.461 1.00 0.00 C ATOM 1730 CD GLU A 113 -11.030 -1.708 -9.382 1.00 0.00 C ATOM 1731 OE1 GLU A 113 -11.719 -2.721 -9.134 1.00 0.00 O ATOM 1732 OE2 GLU A 113 -10.205 -1.591 -10.315 1.00 0.00 O ATOM 0 H GLU A 113 -10.700 1.569 -6.646 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.869 -0.049 -6.501 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -9.928 -0.719 -6.741 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.171 -1.948 -6.862 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.219 -0.100 -8.576 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.519 0.289 -8.750 1.00 0.00 H new ATOM 1739 N PRO A 114 -12.955 -1.638 -4.544 1.00 0.00 N ATOM 1740 CA PRO A 114 -13.158 -2.337 -3.287 1.00 0.00 C ATOM 1741 C PRO A 114 -12.090 -3.413 -3.078 1.00 0.00 C ATOM 1742 O PRO A 114 -11.135 -3.502 -3.848 1.00 0.00 O ATOM 1743 CB PRO A 114 -14.565 -2.905 -3.375 1.00 0.00 C ATOM 1744 CG PRO A 114 -14.923 -2.903 -4.852 1.00 0.00 C ATOM 1745 CD PRO A 114 -13.909 -2.033 -5.576 1.00 0.00 C ATOM 0 HA PRO A 114 -13.061 -1.682 -2.421 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -14.605 -3.914 -2.965 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -15.267 -2.300 -2.802 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -14.908 -3.918 -5.250 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -15.932 -2.517 -5.000 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -13.418 -2.582 -6.380 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -14.385 -1.163 -6.029 1.00 0.00 H new ATOM 1753 N ILE A 115 -12.288 -4.204 -2.034 1.00 0.00 N ATOM 1754 CA ILE A 115 -11.355 -5.270 -1.715 1.00 0.00 C ATOM 1755 C ILE A 115 -12.127 -6.575 -1.513 1.00 0.00 C ATOM 1756 O ILE A 115 -13.356 -6.572 -1.467 1.00 0.00 O ATOM 1757 CB ILE A 115 -10.483 -4.880 -0.519 1.00 0.00 C ATOM 1758 CG1 ILE A 115 -11.343 -4.401 0.652 1.00 0.00 C ATOM 1759 CG2 ILE A 115 -9.434 -3.842 -0.921 1.00 0.00 C ATOM 1760 CD1 ILE A 115 -10.472 -3.996 1.843 1.00 0.00 C ATOM 0 H ILE A 115 -13.082 -4.128 -1.398 1.00 0.00 H new ATOM 0 HA ILE A 115 -10.665 -5.432 -2.543 1.00 0.00 H new ATOM 0 HB ILE A 115 -9.946 -5.767 -0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -11.952 -3.553 0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -12.029 -5.193 0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -8.828 -3.582 -0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -8.794 -4.255 -1.700 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -9.932 -2.948 -1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -11.108 -3.660 2.661 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -9.882 -4.852 2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.804 -3.187 1.547 1.00 0.00 H new ATOM 1772 N ASP A 116 -11.374 -7.659 -1.397 1.00 0.00 N ATOM 1773 CA ASP A 116 -11.973 -8.969 -1.201 1.00 0.00 C ATOM 1774 C ASP A 116 -11.715 -9.433 0.234 1.00 0.00 C ATOM 1775 O ASP A 116 -12.644 -9.822 0.941 1.00 0.00 O ATOM 1776 CB ASP A 116 -11.361 -10.002 -2.149 1.00 0.00 C ATOM 1777 CG ASP A 116 -11.934 -11.415 -2.022 1.00 0.00 C ATOM 1778 OD1 ASP A 116 -11.937 -11.926 -0.881 1.00 0.00 O ATOM 1779 OD2 ASP A 116 -12.356 -11.952 -3.069 1.00 0.00 O ATOM 0 H ASP A 116 -10.355 -7.657 -1.435 1.00 0.00 H new ATOM 0 HA ASP A 116 -13.041 -8.885 -1.401 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.501 -9.660 -3.174 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -10.286 -10.044 -1.971 1.00 0.00 H new ATOM 1784 N ILE A 117 -10.449 -9.376 0.622 1.00 0.00 N ATOM 1785 CA ILE A 117 -10.058 -9.786 1.960 1.00 0.00 C ATOM 1786 C ILE A 117 -10.914 -9.044 2.987 1.00 0.00 C ATOM 1787 O ILE A 117 -11.108 -7.834 2.882 1.00 0.00 O ATOM 1788 CB ILE A 117 -8.553 -9.594 2.160 1.00 0.00 C ATOM 1789 CG1 ILE A 117 -7.760 -10.681 1.431 1.00 0.00 C ATOM 1790 CG2 ILE A 117 -8.202 -9.528 3.647 1.00 0.00 C ATOM 1791 CD1 ILE A 117 -7.843 -12.014 2.177 1.00 0.00 C ATOM 0 H ILE A 117 -9.681 -9.052 0.033 1.00 0.00 H new ATOM 0 HA ILE A 117 -10.242 -10.851 2.101 1.00 0.00 H new ATOM 0 HB ILE A 117 -8.269 -8.638 1.720 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -8.147 -10.802 0.419 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -6.718 -10.376 1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.127 -9.391 3.761 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -8.725 -8.690 4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -8.503 -10.456 4.134 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.271 -12.769 1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -7.433 -11.896 3.180 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -8.884 -12.328 2.246 1.00 0.00 H new ATOM 1803 N ASP A 118 -11.405 -9.800 3.958 1.00 0.00 N ATOM 1804 CA ASP A 118 -12.237 -9.230 5.004 1.00 0.00 C ATOM 1805 C ASP A 118 -12.060 -10.040 6.290 1.00 0.00 C ATOM 1806 O ASP A 118 -12.128 -11.268 6.268 1.00 0.00 O ATOM 1807 CB ASP A 118 -13.717 -9.274 4.617 1.00 0.00 C ATOM 1808 CG ASP A 118 -14.619 -8.318 5.399 1.00 0.00 C ATOM 1809 OD1 ASP A 118 -14.897 -8.635 6.576 1.00 0.00 O ATOM 1810 OD2 ASP A 118 -15.009 -7.291 4.803 1.00 0.00 O ATOM 0 H ASP A 118 -11.242 -10.803 4.042 1.00 0.00 H new ATOM 0 HA ASP A 118 -11.933 -8.193 5.148 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -13.806 -9.046 3.555 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -14.083 -10.291 4.757 1.00 0.00 H new ATOM 1815 N SER A 119 -11.837 -9.319 7.379 1.00 0.00 N ATOM 1816 CA SER A 119 -11.649 -9.956 8.672 1.00 0.00 C ATOM 1817 C SER A 119 -12.995 -10.095 9.386 1.00 0.00 C ATOM 1818 O SER A 119 -13.359 -9.251 10.203 1.00 0.00 O ATOM 1819 CB SER A 119 -10.668 -9.164 9.538 1.00 0.00 C ATOM 1820 OG SER A 119 -9.904 -10.013 10.391 1.00 0.00 O ATOM 0 H SER A 119 -11.782 -8.301 7.393 1.00 0.00 H new ATOM 0 HA SER A 119 -11.227 -10.948 8.508 1.00 0.00 H new ATOM 0 HB2 SER A 119 -9.996 -8.595 8.896 1.00 0.00 H new ATOM 0 HB3 SER A 119 -11.218 -8.443 10.142 1.00 0.00 H new ATOM 0 HG SER A 119 -9.288 -9.470 10.926 1.00 0.00 H new ATOM 1826 N GLY A 120 -13.697 -11.168 9.052 1.00 0.00 N ATOM 1827 CA GLY A 120 -14.995 -11.429 9.652 1.00 0.00 C ATOM 1828 C GLY A 120 -14.959 -12.699 10.504 1.00 0.00 C ATOM 1829 O GLY A 120 -13.957 -12.985 11.157 1.00 0.00 O ATOM 0 H GLY A 120 -13.392 -11.866 8.374 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -15.292 -10.581 10.269 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -15.747 -11.533 8.870 1.00 0.00 H new ATOM 1833 N PRO A 121 -16.095 -13.446 10.471 1.00 0.00 N ATOM 1834 CA PRO A 121 -16.203 -14.679 11.232 1.00 0.00 C ATOM 1835 C PRO A 121 -15.403 -15.803 10.572 1.00 0.00 C ATOM 1836 O PRO A 121 -15.978 -16.765 10.065 1.00 0.00 O ATOM 1837 CB PRO A 121 -17.694 -14.971 11.299 1.00 0.00 C ATOM 1838 CG PRO A 121 -18.329 -14.153 10.186 1.00 0.00 C ATOM 1839 CD PRO A 121 -17.302 -13.138 9.709 1.00 0.00 C ATOM 0 HA PRO A 121 -15.782 -14.593 12.234 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -17.890 -16.035 11.163 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -18.103 -14.693 12.270 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -18.636 -14.800 9.364 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -19.225 -13.648 10.547 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -17.127 -13.226 8.637 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -17.638 -12.118 9.894 1.00 0.00 H new ATOM 1847 N SER A 122 -14.088 -15.645 10.601 1.00 0.00 N ATOM 1848 CA SER A 122 -13.202 -16.635 10.012 1.00 0.00 C ATOM 1849 C SER A 122 -11.744 -16.264 10.289 1.00 0.00 C ATOM 1850 O SER A 122 -11.342 -15.119 10.088 1.00 0.00 O ATOM 1851 CB SER A 122 -13.441 -16.761 8.506 1.00 0.00 C ATOM 1852 OG SER A 122 -12.915 -15.648 7.787 1.00 0.00 O ATOM 0 H SER A 122 -13.614 -14.846 11.023 1.00 0.00 H new ATOM 0 HA SER A 122 -13.417 -17.601 10.469 1.00 0.00 H new ATOM 0 HB2 SER A 122 -12.980 -17.679 8.141 1.00 0.00 H new ATOM 0 HB3 SER A 122 -14.511 -16.844 8.314 1.00 0.00 H new ATOM 0 HG SER A 122 -13.086 -15.767 6.829 1.00 0.00 H new ATOM 1858 N SER A 123 -10.991 -17.254 10.746 1.00 0.00 N ATOM 1859 CA SER A 123 -9.586 -17.046 11.052 1.00 0.00 C ATOM 1860 C SER A 123 -8.799 -16.808 9.762 1.00 0.00 C ATOM 1861 O SER A 123 -8.515 -17.748 9.022 1.00 0.00 O ATOM 1862 CB SER A 123 -9.007 -18.238 11.816 1.00 0.00 C ATOM 1863 OG SER A 123 -8.882 -19.392 10.989 1.00 0.00 O ATOM 0 H SER A 123 -11.328 -18.202 10.912 1.00 0.00 H new ATOM 0 HA SER A 123 -9.501 -16.165 11.689 1.00 0.00 H new ATOM 0 HB2 SER A 123 -8.029 -17.971 12.217 1.00 0.00 H new ATOM 0 HB3 SER A 123 -9.648 -18.469 12.667 1.00 0.00 H new ATOM 0 HG SER A 123 -8.459 -19.143 10.141 1.00 0.00 H new ATOM 1869 N GLY A 124 -8.468 -15.546 9.533 1.00 0.00 N ATOM 1870 CA GLY A 124 -7.718 -15.172 8.346 1.00 0.00 C ATOM 1871 C GLY A 124 -6.562 -14.235 8.700 1.00 0.00 C ATOM 1872 O GLY A 124 -6.694 -13.016 8.604 1.00 0.00 O ATOM 0 H GLY A 124 -8.706 -14.769 10.150 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -7.329 -16.067 7.860 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -8.381 -14.684 7.632 1.00 0.00 H new TER 1876 GLY A 124