USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=32 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 40 HIS : no HE2:sc= -13.1! C(o=-23!,f=-29!) USER MOD Set 1.2: A 60 MET CE :methyl -141:sc= -10.1! (180deg=-7.18!) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.102 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 13:sc= 0.708 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 K(o=0,f=-1.8) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.48) USER MOD Single : A 13 SER OG : rot 14:sc= -0.227 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -2.71 K(o=-2.7,f=-4.6!) USER MOD Single : A 21 ASN : amide:sc= -2.17! C(o=-2.2!,f=-3!) USER MOD Single : A 22 TYR OH : rot -70:sc= 0.805 USER MOD Single : A 23 THR OG1 : rot -29:sc= 0.075 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.313 K(o=-0.31,f=-2.4!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.00702 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.0602 X(o=-0.06,f=-0.12) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0759 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.334 USER MOD Single : A 64 ASN : amide:sc= -1.1! C(o=-1.1!,f=-6.9!) USER MOD Single : A 70 MET CE :methyl -127:sc= -1.75 (180deg=-2.51!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -134:sc= 0.296 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.706 K(o=-0.71,f=-1.6) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 20:sc= 0.0797 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 -170:sc= -0.815 USER MOD Single : A 96 ASN : amide:sc= -2.77! C(o=-2.8!,f=-7.2!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -158:sc= -0.711 (180deg=-1.36) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.166 K(o=-0.17,f=-0.91) USER MOD Single : A 119 SER OG : rot 180:sc= -0.337 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 46:sc= 0.256 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.392 -19.970 15.430 1.00 0.00 N ATOM 2 CA GLY A 1 -3.177 -21.253 14.783 1.00 0.00 C ATOM 3 C GLY A 1 -2.085 -21.153 13.716 1.00 0.00 C ATOM 4 O GLY A 1 -1.657 -20.056 13.361 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.187 -20.055 16.446 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.762 -19.258 15.008 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.381 -19.677 15.300 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.895 -21.997 15.528 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.106 -21.594 14.327 1.00 0.00 H new ATOM 8 N SER A 2 -1.666 -22.314 13.233 1.00 0.00 N ATOM 9 CA SER A 2 -0.632 -22.371 12.214 1.00 0.00 C ATOM 10 C SER A 2 0.686 -21.835 12.775 1.00 0.00 C ATOM 11 O SER A 2 0.687 -20.979 13.659 1.00 0.00 O ATOM 12 CB SER A 2 -1.041 -21.579 10.970 1.00 0.00 C ATOM 13 OG SER A 2 -0.315 -21.987 9.814 1.00 0.00 O ATOM 0 H SER A 2 -2.024 -23.222 13.529 1.00 0.00 H new ATOM 0 HA SER A 2 -0.497 -23.412 11.921 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.108 -21.709 10.792 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.875 -20.516 11.146 1.00 0.00 H new ATOM 0 HG SER A 2 -0.606 -21.459 9.041 1.00 0.00 H new ATOM 19 N SER A 3 1.778 -22.360 12.238 1.00 0.00 N ATOM 20 CA SER A 3 3.100 -21.945 12.673 1.00 0.00 C ATOM 21 C SER A 3 3.592 -20.777 11.815 1.00 0.00 C ATOM 22 O SER A 3 3.683 -20.896 10.594 1.00 0.00 O ATOM 23 CB SER A 3 4.093 -23.107 12.606 1.00 0.00 C ATOM 24 OG SER A 3 4.450 -23.427 11.265 1.00 0.00 O ATOM 0 H SER A 3 1.774 -23.069 11.505 1.00 0.00 H new ATOM 0 HA SER A 3 3.031 -21.621 13.711 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.990 -22.850 13.169 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.657 -23.984 13.084 1.00 0.00 H new ATOM 0 HG SER A 3 4.150 -22.711 10.667 1.00 0.00 H new ATOM 30 N GLY A 4 3.895 -19.677 12.487 1.00 0.00 N ATOM 31 CA GLY A 4 4.375 -18.489 11.801 1.00 0.00 C ATOM 32 C GLY A 4 3.689 -17.231 12.337 1.00 0.00 C ATOM 33 O GLY A 4 3.824 -16.900 13.514 1.00 0.00 O ATOM 0 H GLY A 4 3.818 -19.583 13.500 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.454 -18.402 11.929 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.188 -18.582 10.731 1.00 0.00 H new ATOM 37 N SER A 5 2.967 -16.565 11.448 1.00 0.00 N ATOM 38 CA SER A 5 2.259 -15.350 11.818 1.00 0.00 C ATOM 39 C SER A 5 3.246 -14.188 11.947 1.00 0.00 C ATOM 40 O SER A 5 3.224 -13.258 11.143 1.00 0.00 O ATOM 41 CB SER A 5 1.487 -15.539 13.125 1.00 0.00 C ATOM 42 OG SER A 5 0.780 -16.776 13.154 1.00 0.00 O ATOM 0 H SER A 5 2.857 -16.843 10.473 1.00 0.00 H new ATOM 0 HA SER A 5 1.539 -15.121 11.032 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.181 -15.498 13.965 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.783 -14.716 13.253 1.00 0.00 H new ATOM 0 HG SER A 5 0.302 -16.859 14.005 1.00 0.00 H new ATOM 48 N SER A 6 4.088 -14.280 12.966 1.00 0.00 N ATOM 49 CA SER A 6 5.081 -13.248 13.211 1.00 0.00 C ATOM 50 C SER A 6 6.417 -13.646 12.579 1.00 0.00 C ATOM 51 O SER A 6 6.788 -14.819 12.589 1.00 0.00 O ATOM 52 CB SER A 6 5.257 -12.998 14.710 1.00 0.00 C ATOM 53 OG SER A 6 5.954 -14.063 15.351 1.00 0.00 O ATOM 0 H SER A 6 4.103 -15.053 13.631 1.00 0.00 H new ATOM 0 HA SER A 6 4.732 -12.322 12.754 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.802 -12.066 14.861 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.279 -12.874 15.174 1.00 0.00 H new ATOM 0 HG SER A 6 6.047 -13.865 16.306 1.00 0.00 H new ATOM 59 N GLY A 7 7.103 -12.647 12.043 1.00 0.00 N ATOM 60 CA GLY A 7 8.389 -12.878 11.408 1.00 0.00 C ATOM 61 C GLY A 7 8.243 -12.953 9.887 1.00 0.00 C ATOM 62 O GLY A 7 7.247 -12.492 9.331 1.00 0.00 O ATOM 0 H GLY A 7 6.792 -11.676 12.036 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.078 -12.076 11.672 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.822 -13.806 11.782 1.00 0.00 H new ATOM 66 N GLN A 8 9.251 -13.539 9.256 1.00 0.00 N ATOM 67 CA GLN A 8 9.247 -13.681 7.810 1.00 0.00 C ATOM 68 C GLN A 8 9.321 -12.306 7.142 1.00 0.00 C ATOM 69 O GLN A 8 8.835 -11.319 7.691 1.00 0.00 O ATOM 70 CB GLN A 8 8.015 -14.455 7.338 1.00 0.00 C ATOM 71 CG GLN A 8 8.417 -15.656 6.480 1.00 0.00 C ATOM 72 CD GLN A 8 8.847 -16.836 7.354 1.00 0.00 C ATOM 73 OE1 GLN A 8 9.140 -16.696 8.530 1.00 0.00 O ATOM 74 NE2 GLN A 8 8.866 -18.003 6.717 1.00 0.00 N ATOM 0 H GLN A 8 10.075 -13.921 9.720 1.00 0.00 H new ATOM 0 HA GLN A 8 10.128 -14.253 7.518 1.00 0.00 H new ATOM 0 HB2 GLN A 8 7.443 -14.795 8.201 1.00 0.00 H new ATOM 0 HB3 GLN A 8 7.364 -13.795 6.764 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.579 -15.953 5.849 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.234 -15.375 5.815 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.609 -18.050 5.731 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.138 -18.851 7.214 1.00 0.00 H new ATOM 83 N LYS A 9 9.932 -12.287 5.966 1.00 0.00 N ATOM 84 CA LYS A 9 10.075 -11.051 5.217 1.00 0.00 C ATOM 85 C LYS A 9 8.711 -10.635 4.661 1.00 0.00 C ATOM 86 O LYS A 9 7.824 -11.471 4.496 1.00 0.00 O ATOM 87 CB LYS A 9 11.158 -11.195 4.146 1.00 0.00 C ATOM 88 CG LYS A 9 11.924 -9.884 3.961 1.00 0.00 C ATOM 89 CD LYS A 9 13.284 -9.940 4.658 1.00 0.00 C ATOM 90 CE LYS A 9 14.315 -9.084 3.920 1.00 0.00 C ATOM 91 NZ LYS A 9 15.140 -8.321 4.882 1.00 0.00 N ATOM 0 H LYS A 9 10.334 -13.108 5.514 1.00 0.00 H new ATOM 0 HA LYS A 9 10.412 -10.247 5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.850 -11.988 4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.703 -11.491 3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.064 -9.688 2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.339 -9.057 4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.184 -9.590 5.686 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.630 -10.973 4.705 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.954 -9.721 3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.808 -8.397 3.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.834 -7.746 4.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.528 -7.699 5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.639 -8.981 5.512 1.00 0.00 H new ATOM 105 N ASN A 10 8.588 -9.345 4.387 1.00 0.00 N ATOM 106 CA ASN A 10 7.347 -8.809 3.853 1.00 0.00 C ATOM 107 C ASN A 10 7.659 -7.606 2.960 1.00 0.00 C ATOM 108 O ASN A 10 8.652 -6.911 3.173 1.00 0.00 O ATOM 109 CB ASN A 10 6.422 -8.336 4.977 1.00 0.00 C ATOM 110 CG ASN A 10 5.250 -9.301 5.164 1.00 0.00 C ATOM 111 OD1 ASN A 10 4.135 -9.055 4.736 1.00 0.00 O ATOM 112 ND2 ASN A 10 5.564 -10.411 5.826 1.00 0.00 N ATOM 0 H ASN A 10 9.327 -8.655 4.525 1.00 0.00 H new ATOM 0 HA ASN A 10 6.853 -9.600 3.289 1.00 0.00 H new ATOM 0 HB2 ASN A 10 6.985 -8.257 5.907 1.00 0.00 H new ATOM 0 HB3 ASN A 10 6.044 -7.340 4.747 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.851 -11.119 6.002 1.00 0.00 H new ATOM 0 HD22 ASN A 10 6.518 -10.555 6.157 1.00 0.00 H new ATOM 119 N PRO A 11 6.770 -7.392 1.954 1.00 0.00 N ATOM 120 CA PRO A 11 6.941 -6.285 1.028 1.00 0.00 C ATOM 121 C PRO A 11 6.567 -4.956 1.687 1.00 0.00 C ATOM 122 O PRO A 11 6.404 -4.887 2.904 1.00 0.00 O ATOM 123 CB PRO A 11 6.057 -6.627 -0.161 1.00 0.00 C ATOM 124 CG PRO A 11 5.073 -7.672 0.338 1.00 0.00 C ATOM 125 CD PRO A 11 5.583 -8.194 1.672 1.00 0.00 C ATOM 0 HA PRO A 11 7.977 -6.156 0.714 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.535 -5.743 -0.527 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.650 -7.013 -0.990 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.080 -7.237 0.453 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.983 -8.486 -0.381 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.833 -8.080 2.455 1.00 0.00 H new ATOM 0 HD3 PRO A 11 5.826 -9.255 1.615 1.00 0.00 H new ATOM 133 N ASP A 12 6.443 -3.933 0.854 1.00 0.00 N ATOM 134 CA ASP A 12 6.092 -2.610 1.341 1.00 0.00 C ATOM 135 C ASP A 12 4.826 -2.704 2.194 1.00 0.00 C ATOM 136 O ASP A 12 4.851 -2.399 3.385 1.00 0.00 O ATOM 137 CB ASP A 12 5.811 -1.653 0.181 1.00 0.00 C ATOM 138 CG ASP A 12 6.908 -1.586 -0.883 1.00 0.00 C ATOM 139 OD1 ASP A 12 7.887 -2.350 -0.738 1.00 0.00 O ATOM 140 OD2 ASP A 12 6.743 -0.773 -1.818 1.00 0.00 O ATOM 0 H ASP A 12 6.579 -3.994 -0.155 1.00 0.00 H new ATOM 0 HA ASP A 12 6.931 -2.232 1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.879 -1.951 -0.298 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.656 -0.652 0.585 1.00 0.00 H new ATOM 145 N SER A 13 3.748 -3.129 1.551 1.00 0.00 N ATOM 146 CA SER A 13 2.474 -3.267 2.236 1.00 0.00 C ATOM 147 C SER A 13 1.791 -4.569 1.813 1.00 0.00 C ATOM 148 O SER A 13 1.767 -4.906 0.630 1.00 0.00 O ATOM 149 CB SER A 13 1.562 -2.073 1.949 1.00 0.00 C ATOM 150 OG SER A 13 1.953 -0.914 2.680 1.00 0.00 O ATOM 0 H SER A 13 3.731 -3.382 0.563 1.00 0.00 H new ATOM 0 HA SER A 13 2.664 -3.295 3.309 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.580 -1.852 0.882 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.534 -2.332 2.204 1.00 0.00 H new ATOM 0 HG SER A 13 2.850 -1.049 3.052 1.00 0.00 H new ATOM 156 N TYR A 14 1.254 -5.267 2.803 1.00 0.00 N ATOM 157 CA TYR A 14 0.573 -6.525 2.548 1.00 0.00 C ATOM 158 C TYR A 14 -0.667 -6.666 3.433 1.00 0.00 C ATOM 159 O TYR A 14 -0.604 -6.429 4.639 1.00 0.00 O ATOM 160 CB TYR A 14 1.572 -7.626 2.911 1.00 0.00 C ATOM 161 CG TYR A 14 1.106 -9.036 2.541 1.00 0.00 C ATOM 162 CD1 TYR A 14 0.615 -9.291 1.277 1.00 0.00 C ATOM 163 CD2 TYR A 14 1.176 -10.052 3.472 1.00 0.00 C ATOM 164 CE1 TYR A 14 0.176 -10.617 0.929 1.00 0.00 C ATOM 165 CE2 TYR A 14 0.737 -11.379 3.124 1.00 0.00 C ATOM 166 CZ TYR A 14 0.259 -11.596 1.870 1.00 0.00 C ATOM 167 OH TYR A 14 -0.156 -12.849 1.541 1.00 0.00 O ATOM 0 H TYR A 14 1.277 -4.985 3.783 1.00 0.00 H new ATOM 0 HA TYR A 14 0.247 -6.582 1.509 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.518 -7.424 2.409 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.765 -7.588 3.983 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.560 -8.496 0.549 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.560 -9.852 4.462 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.210 -10.830 -0.057 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.786 -12.183 3.843 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.038 -13.445 2.310 1.00 0.00 H new ATOM 177 N ASN A 15 -1.765 -7.052 2.801 1.00 0.00 N ATOM 178 CA ASN A 15 -3.018 -7.228 3.516 1.00 0.00 C ATOM 179 C ASN A 15 -4.147 -7.456 2.509 1.00 0.00 C ATOM 180 O ASN A 15 -4.892 -8.429 2.616 1.00 0.00 O ATOM 181 CB ASN A 15 -3.362 -5.984 4.338 1.00 0.00 C ATOM 182 CG ASN A 15 -3.035 -6.197 5.817 1.00 0.00 C ATOM 183 OD1 ASN A 15 -2.352 -7.132 6.200 1.00 0.00 O ATOM 184 ND2 ASN A 15 -3.561 -5.280 6.624 1.00 0.00 N ATOM 0 H ASN A 15 -1.813 -7.248 1.801 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.908 -8.083 4.183 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.805 -5.127 3.958 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.421 -5.751 4.226 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.402 -5.334 7.630 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.124 -4.522 6.237 1.00 0.00 H new ATOM 191 N GLY A 16 -4.238 -6.543 1.553 1.00 0.00 N ATOM 192 CA GLY A 16 -5.264 -6.633 0.528 1.00 0.00 C ATOM 193 C GLY A 16 -4.804 -5.961 -0.768 1.00 0.00 C ATOM 194 O GLY A 16 -3.992 -6.517 -1.505 1.00 0.00 O ATOM 0 H GLY A 16 -3.618 -5.738 1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.500 -7.680 0.335 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.180 -6.160 0.882 1.00 0.00 H new ATOM 198 N ALA A 17 -5.344 -4.775 -1.006 1.00 0.00 N ATOM 199 CA ALA A 17 -5.000 -4.022 -2.199 1.00 0.00 C ATOM 200 C ALA A 17 -3.892 -3.022 -1.864 1.00 0.00 C ATOM 201 O ALA A 17 -3.678 -2.695 -0.698 1.00 0.00 O ATOM 202 CB ALA A 17 -6.253 -3.340 -2.752 1.00 0.00 C ATOM 0 H ALA A 17 -6.018 -4.317 -0.392 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.621 -4.686 -2.976 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.994 -2.775 -3.647 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.998 -4.095 -3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.660 -2.663 -2.001 1.00 0.00 H new ATOM 208 N VAL A 18 -3.216 -2.564 -2.908 1.00 0.00 N ATOM 209 CA VAL A 18 -2.135 -1.608 -2.738 1.00 0.00 C ATOM 210 C VAL A 18 -2.064 -0.702 -3.969 1.00 0.00 C ATOM 211 O VAL A 18 -1.808 -1.172 -5.077 1.00 0.00 O ATOM 212 CB VAL A 18 -0.823 -2.345 -2.462 1.00 0.00 C ATOM 213 CG1 VAL A 18 0.367 -1.385 -2.518 1.00 0.00 C ATOM 214 CG2 VAL A 18 -0.876 -3.075 -1.119 1.00 0.00 C ATOM 0 H VAL A 18 -3.396 -2.837 -3.874 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.321 -0.970 -1.874 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.688 -3.092 -3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.287 -1.934 -2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.422 -0.932 -3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.240 -0.604 -1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.069 -3.591 -0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.046 -2.354 -0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.689 -3.801 -1.132 1.00 0.00 H new ATOM 224 N ARG A 19 -2.295 0.581 -3.734 1.00 0.00 N ATOM 225 CA ARG A 19 -2.261 1.558 -4.809 1.00 0.00 C ATOM 226 C ARG A 19 -0.868 2.183 -4.914 1.00 0.00 C ATOM 227 O ARG A 19 -0.085 2.125 -3.967 1.00 0.00 O ATOM 228 CB ARG A 19 -3.293 2.664 -4.582 1.00 0.00 C ATOM 229 CG ARG A 19 -4.146 2.883 -5.834 1.00 0.00 C ATOM 230 CD ARG A 19 -3.754 4.180 -6.544 1.00 0.00 C ATOM 231 NE ARG A 19 -4.838 5.179 -6.409 1.00 0.00 N ATOM 232 CZ ARG A 19 -6.041 5.063 -6.987 1.00 0.00 C ATOM 233 NH1 ARG A 19 -6.322 3.993 -7.742 1.00 0.00 N ATOM 234 NH2 ARG A 19 -6.964 6.019 -6.809 1.00 0.00 N ATOM 0 H ARG A 19 -2.507 0.967 -2.814 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.501 1.038 -5.737 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.935 2.400 -3.742 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.785 3.591 -4.317 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.023 2.040 -6.514 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.200 2.919 -5.559 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.831 4.573 -6.118 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.559 3.983 -7.598 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.658 6.007 -5.841 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.620 3.266 -7.877 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.238 3.905 -8.182 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.750 6.834 -6.234 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.880 5.932 -7.249 1.00 0.00 H new ATOM 248 N GLU A 20 -0.602 2.766 -6.074 1.00 0.00 N ATOM 249 CA GLU A 20 0.682 3.401 -6.315 1.00 0.00 C ATOM 250 C GLU A 20 0.702 4.806 -5.709 1.00 0.00 C ATOM 251 O GLU A 20 1.579 5.130 -4.910 1.00 0.00 O ATOM 252 CB GLU A 20 1.001 3.445 -7.811 1.00 0.00 C ATOM 253 CG GLU A 20 2.073 4.493 -8.113 1.00 0.00 C ATOM 254 CD GLU A 20 2.416 4.513 -9.604 1.00 0.00 C ATOM 255 OE1 GLU A 20 1.470 4.356 -10.406 1.00 0.00 O ATOM 256 OE2 GLU A 20 3.616 4.684 -9.908 1.00 0.00 O ATOM 0 H GLU A 20 -1.254 2.812 -6.857 1.00 0.00 H new ATOM 0 HA GLU A 20 1.455 2.806 -5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.343 2.464 -8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.095 3.674 -8.373 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.722 5.477 -7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.970 4.278 -7.533 1.00 0.00 H new ATOM 263 N ASN A 21 -0.276 5.604 -6.114 1.00 0.00 N ATOM 264 CA ASN A 21 -0.383 6.966 -5.621 1.00 0.00 C ATOM 265 C ASN A 21 -0.213 6.969 -4.100 1.00 0.00 C ATOM 266 O ASN A 21 0.683 7.627 -3.574 1.00 0.00 O ATOM 267 CB ASN A 21 -1.754 7.563 -5.944 1.00 0.00 C ATOM 268 CG ASN A 21 -1.635 9.046 -6.304 1.00 0.00 C ATOM 269 OD1 ASN A 21 -0.600 9.526 -6.735 1.00 0.00 O ATOM 270 ND2 ASN A 21 -2.750 9.742 -6.102 1.00 0.00 N ATOM 0 H ASN A 21 -1.001 5.333 -6.778 1.00 0.00 H new ATOM 0 HA ASN A 21 0.392 7.561 -6.104 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.205 7.019 -6.774 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.417 7.445 -5.087 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.773 10.740 -6.311 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.582 9.278 -5.739 1.00 0.00 H new ATOM 277 N TYR A 22 -1.087 6.226 -3.438 1.00 0.00 N ATOM 278 CA TYR A 22 -1.045 6.135 -1.988 1.00 0.00 C ATOM 279 C TYR A 22 -1.500 4.754 -1.513 1.00 0.00 C ATOM 280 O TYR A 22 -2.539 4.256 -1.944 1.00 0.00 O ATOM 281 CB TYR A 22 -2.026 7.188 -1.471 1.00 0.00 C ATOM 282 CG TYR A 22 -3.479 6.941 -1.881 1.00 0.00 C ATOM 283 CD1 TYR A 22 -4.237 6.006 -1.205 1.00 0.00 C ATOM 284 CD2 TYR A 22 -4.032 7.652 -2.926 1.00 0.00 C ATOM 285 CE1 TYR A 22 -5.604 5.772 -1.591 1.00 0.00 C ATOM 286 CE2 TYR A 22 -5.399 7.419 -3.312 1.00 0.00 C ATOM 287 CZ TYR A 22 -6.118 6.490 -2.625 1.00 0.00 C ATOM 288 OH TYR A 22 -7.410 6.270 -2.989 1.00 0.00 O ATOM 0 H TYR A 22 -1.828 5.681 -3.878 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.031 6.294 -1.622 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.967 7.221 -0.383 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.718 8.167 -1.837 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.804 5.450 -0.386 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.439 8.384 -3.455 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.208 5.043 -1.071 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.844 7.969 -4.128 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.486 5.388 -3.410 1.00 0.00 H new ATOM 298 N THR A 23 -0.701 4.174 -0.630 1.00 0.00 N ATOM 299 CA THR A 23 -1.009 2.860 -0.091 1.00 0.00 C ATOM 300 C THR A 23 -1.931 2.985 1.124 1.00 0.00 C ATOM 301 O THR A 23 -2.002 4.042 1.748 1.00 0.00 O ATOM 302 CB THR A 23 0.313 2.155 0.220 1.00 0.00 C ATOM 303 OG1 THR A 23 1.013 2.166 -1.021 1.00 0.00 O ATOM 304 CG2 THR A 23 0.125 0.668 0.528 1.00 0.00 C ATOM 0 H THR A 23 0.160 4.590 -0.274 1.00 0.00 H new ATOM 0 HA THR A 23 -1.555 2.254 -0.814 1.00 0.00 H new ATOM 0 HB THR A 23 0.794 2.644 1.067 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.369 2.161 -1.760 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.093 0.215 0.742 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.527 0.555 1.394 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.325 0.172 -0.332 1.00 0.00 H new ATOM 312 N TRP A 24 -2.614 1.889 1.423 1.00 0.00 N ATOM 313 CA TRP A 24 -3.528 1.863 2.552 1.00 0.00 C ATOM 314 C TRP A 24 -3.800 0.399 2.905 1.00 0.00 C ATOM 315 O TRP A 24 -3.576 -0.493 2.088 1.00 0.00 O ATOM 316 CB TRP A 24 -4.804 2.649 2.243 1.00 0.00 C ATOM 317 CG TRP A 24 -5.940 1.796 1.676 1.00 0.00 C ATOM 318 CD1 TRP A 24 -6.264 1.601 0.391 1.00 0.00 C ATOM 319 CD2 TRP A 24 -6.896 1.024 2.434 1.00 0.00 C ATOM 320 NE1 TRP A 24 -7.354 0.764 0.265 1.00 0.00 N ATOM 321 CE2 TRP A 24 -7.750 0.402 1.547 1.00 0.00 C ATOM 322 CE3 TRP A 24 -7.034 0.858 3.824 1.00 0.00 C ATOM 323 CZ2 TRP A 24 -8.802 -0.428 1.951 1.00 0.00 C ATOM 324 CZ3 TRP A 24 -8.090 0.025 4.211 1.00 0.00 C ATOM 325 CH2 TRP A 24 -8.959 -0.609 3.330 1.00 0.00 C ATOM 0 H TRP A 24 -2.553 1.014 0.903 1.00 0.00 H new ATOM 0 HA TRP A 24 -3.085 2.355 3.418 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -5.149 3.134 3.156 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -4.568 3.440 1.531 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -5.738 2.043 -0.442 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.789 0.466 -0.608 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -6.377 1.335 4.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -9.458 -0.904 1.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -8.240 -0.137 5.268 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -9.751 -1.238 3.708 1.00 0.00 H new ATOM 336 N SER A 25 -4.278 0.197 4.124 1.00 0.00 N ATOM 337 CA SER A 25 -4.583 -1.143 4.596 1.00 0.00 C ATOM 338 C SER A 25 -5.663 -1.084 5.679 1.00 0.00 C ATOM 339 O SER A 25 -5.864 -0.044 6.304 1.00 0.00 O ATOM 340 CB SER A 25 -3.329 -1.835 5.135 1.00 0.00 C ATOM 341 OG SER A 25 -2.545 -0.965 5.946 1.00 0.00 O ATOM 0 H SER A 25 -4.462 0.939 4.799 1.00 0.00 H new ATOM 0 HA SER A 25 -4.954 -1.726 3.753 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.620 -2.709 5.717 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.726 -2.194 4.301 1.00 0.00 H new ATOM 0 HG SER A 25 -1.755 -1.445 6.272 1.00 0.00 H new ATOM 347 N GLN A 26 -6.329 -2.213 5.867 1.00 0.00 N ATOM 348 CA GLN A 26 -7.384 -2.303 6.863 1.00 0.00 C ATOM 349 C GLN A 26 -6.943 -3.199 8.023 1.00 0.00 C ATOM 350 O GLN A 26 -6.438 -4.299 7.805 1.00 0.00 O ATOM 351 CB GLN A 26 -8.684 -2.813 6.240 1.00 0.00 C ATOM 352 CG GLN A 26 -8.482 -4.185 5.593 1.00 0.00 C ATOM 353 CD GLN A 26 -9.432 -5.221 6.196 1.00 0.00 C ATOM 354 OE1 GLN A 26 -10.016 -5.027 7.249 1.00 0.00 O ATOM 355 NE2 GLN A 26 -9.553 -6.330 5.471 1.00 0.00 N ATOM 0 H GLN A 26 -6.159 -3.074 5.347 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.575 -1.303 7.253 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.457 -2.879 7.006 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.036 -2.103 5.492 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.652 -4.113 4.519 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.450 -4.508 5.732 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.035 -6.428 4.598 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.164 -7.083 5.788 1.00 0.00 H new ATOM 364 N ASP A 27 -7.151 -2.694 9.230 1.00 0.00 N ATOM 365 CA ASP A 27 -6.782 -3.434 10.424 1.00 0.00 C ATOM 366 C ASP A 27 -8.043 -3.766 11.224 1.00 0.00 C ATOM 367 O ASP A 27 -9.151 -3.419 10.815 1.00 0.00 O ATOM 368 CB ASP A 27 -5.857 -2.608 11.321 1.00 0.00 C ATOM 369 CG ASP A 27 -4.518 -2.224 10.689 1.00 0.00 C ATOM 370 OD1 ASP A 27 -3.993 -3.058 9.920 1.00 0.00 O ATOM 371 OD2 ASP A 27 -4.049 -1.105 10.990 1.00 0.00 O ATOM 0 H ASP A 27 -7.570 -1.781 9.406 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.265 -4.341 10.111 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.378 -1.697 11.614 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.663 -3.171 12.234 1.00 0.00 H new ATOM 376 N TYR A 28 -7.834 -4.433 12.350 1.00 0.00 N ATOM 377 CA TYR A 28 -8.941 -4.815 13.210 1.00 0.00 C ATOM 378 C TYR A 28 -9.986 -3.700 13.286 1.00 0.00 C ATOM 379 O TYR A 28 -11.171 -3.939 13.055 1.00 0.00 O ATOM 380 CB TYR A 28 -8.339 -5.028 14.601 1.00 0.00 C ATOM 381 CG TYR A 28 -9.128 -6.004 15.476 1.00 0.00 C ATOM 382 CD1 TYR A 28 -10.435 -5.723 15.819 1.00 0.00 C ATOM 383 CD2 TYR A 28 -8.532 -7.166 15.924 1.00 0.00 C ATOM 384 CE1 TYR A 28 -11.177 -6.641 16.643 1.00 0.00 C ATOM 385 CE2 TYR A 28 -9.274 -8.085 16.748 1.00 0.00 C ATOM 386 CZ TYR A 28 -10.560 -7.777 17.067 1.00 0.00 C ATOM 387 OH TYR A 28 -11.261 -8.644 17.845 1.00 0.00 O ATOM 0 H TYR A 28 -6.914 -4.719 12.686 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.435 -5.707 12.826 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.319 -5.396 14.492 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.278 -4.066 15.111 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -10.901 -4.814 15.469 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.509 -7.386 15.656 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -12.200 -6.433 16.918 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.820 -8.998 17.104 1.00 0.00 H new ATOM 0 HH TYR A 28 -10.695 -9.411 18.072 1.00 0.00 H new ATOM 397 N THR A 29 -9.511 -2.507 13.609 1.00 0.00 N ATOM 398 CA THR A 29 -10.390 -1.355 13.718 1.00 0.00 C ATOM 399 C THR A 29 -9.607 -0.062 13.481 1.00 0.00 C ATOM 400 O THR A 29 -9.409 0.726 14.405 1.00 0.00 O ATOM 401 CB THR A 29 -11.074 -1.410 15.085 1.00 0.00 C ATOM 402 OG1 THR A 29 -11.867 -0.227 15.124 1.00 0.00 O ATOM 403 CG2 THR A 29 -10.086 -1.234 16.241 1.00 0.00 C ATOM 0 H THR A 29 -8.528 -2.313 13.799 1.00 0.00 H new ATOM 0 HA THR A 29 -11.164 -1.374 12.951 1.00 0.00 H new ATOM 0 HB THR A 29 -11.594 -2.362 15.193 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.347 -0.183 15.977 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.623 -1.281 17.189 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.340 -2.028 16.206 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.591 -0.267 16.152 1.00 0.00 H new ATOM 411 N ASP A 30 -9.182 0.115 12.239 1.00 0.00 N ATOM 412 CA ASP A 30 -8.425 1.299 11.869 1.00 0.00 C ATOM 413 C ASP A 30 -7.816 1.097 10.480 1.00 0.00 C ATOM 414 O ASP A 30 -7.865 -0.003 9.931 1.00 0.00 O ATOM 415 CB ASP A 30 -7.281 1.552 12.854 1.00 0.00 C ATOM 416 CG ASP A 30 -7.596 2.552 13.967 1.00 0.00 C ATOM 417 OD1 ASP A 30 -8.722 3.096 13.941 1.00 0.00 O ATOM 418 OD2 ASP A 30 -6.704 2.752 14.820 1.00 0.00 O ATOM 0 H ASP A 30 -9.347 -0.541 11.476 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.105 2.150 11.880 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.996 0.603 13.309 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.415 1.911 12.298 1.00 0.00 H new ATOM 423 N LEU A 31 -7.257 2.175 9.951 1.00 0.00 N ATOM 424 CA LEU A 31 -6.639 2.130 8.637 1.00 0.00 C ATOM 425 C LEU A 31 -5.252 2.772 8.707 1.00 0.00 C ATOM 426 O LEU A 31 -4.976 3.563 9.607 1.00 0.00 O ATOM 427 CB LEU A 31 -7.558 2.764 7.591 1.00 0.00 C ATOM 428 CG LEU A 31 -9.060 2.566 7.809 1.00 0.00 C ATOM 429 CD1 LEU A 31 -9.645 3.700 8.653 1.00 0.00 C ATOM 430 CD2 LEU A 31 -9.791 2.407 6.475 1.00 0.00 C ATOM 0 H LEU A 31 -7.219 3.086 10.409 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.496 1.097 8.319 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.354 3.834 7.558 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.296 2.359 6.613 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.206 1.641 8.367 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.713 3.535 8.793 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.151 3.723 9.624 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.488 4.651 8.144 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.856 2.268 6.658 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.641 3.300 5.869 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.397 1.539 5.946 1.00 0.00 H new ATOM 442 N GLU A 32 -4.417 2.407 7.746 1.00 0.00 N ATOM 443 CA GLU A 32 -3.066 2.937 7.687 1.00 0.00 C ATOM 444 C GLU A 32 -2.684 3.258 6.241 1.00 0.00 C ATOM 445 O GLU A 32 -2.344 2.361 5.471 1.00 0.00 O ATOM 446 CB GLU A 32 -2.066 1.963 8.314 1.00 0.00 C ATOM 447 CG GLU A 32 -1.520 2.512 9.634 1.00 0.00 C ATOM 448 CD GLU A 32 -0.697 1.453 10.369 1.00 0.00 C ATOM 449 OE1 GLU A 32 -1.287 0.399 10.694 1.00 0.00 O ATOM 450 OE2 GLU A 32 0.504 1.720 10.590 1.00 0.00 O ATOM 0 H GLU A 32 -4.650 1.750 7.001 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.035 3.861 8.265 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.549 1.002 8.488 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.243 1.785 7.622 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.901 3.388 9.440 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.346 2.839 10.266 1.00 0.00 H new ATOM 457 N VAL A 33 -2.752 4.541 5.915 1.00 0.00 N ATOM 458 CA VAL A 33 -2.417 4.992 4.575 1.00 0.00 C ATOM 459 C VAL A 33 -1.109 5.783 4.619 1.00 0.00 C ATOM 460 O VAL A 33 -1.036 6.834 5.254 1.00 0.00 O ATOM 461 CB VAL A 33 -3.581 5.793 3.987 1.00 0.00 C ATOM 462 CG1 VAL A 33 -4.304 6.588 5.076 1.00 0.00 C ATOM 463 CG2 VAL A 33 -3.100 6.714 2.864 1.00 0.00 C ATOM 0 H VAL A 33 -3.034 5.282 6.556 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.259 4.140 3.914 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.292 5.086 3.559 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.127 7.148 4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.696 5.903 5.827 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.605 7.280 5.546 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.946 7.272 2.463 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.360 7.411 3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.651 6.117 2.071 1.00 0.00 H new ATOM 473 N ARG A 34 -0.107 5.247 3.937 1.00 0.00 N ATOM 474 CA ARG A 34 1.195 5.889 3.891 1.00 0.00 C ATOM 475 C ARG A 34 1.457 6.459 2.495 1.00 0.00 C ATOM 476 O ARG A 34 1.391 5.735 1.503 1.00 0.00 O ATOM 477 CB ARG A 34 2.309 4.903 4.248 1.00 0.00 C ATOM 478 CG ARG A 34 2.551 4.873 5.759 1.00 0.00 C ATOM 479 CD ARG A 34 3.961 4.373 6.079 1.00 0.00 C ATOM 480 NE ARG A 34 4.007 2.897 5.990 1.00 0.00 N ATOM 481 CZ ARG A 34 3.535 2.072 6.935 1.00 0.00 C ATOM 482 NH1 ARG A 34 2.981 2.575 8.047 1.00 0.00 N ATOM 483 NH2 ARG A 34 3.619 0.745 6.770 1.00 0.00 N ATOM 0 H ARG A 34 -0.171 4.375 3.412 1.00 0.00 H new ATOM 0 HA ARG A 34 1.192 6.697 4.623 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.042 3.905 3.899 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.228 5.185 3.734 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.413 5.872 6.173 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.815 4.226 6.236 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.677 4.810 5.383 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.251 4.694 7.079 1.00 0.00 H new ATOM 0 HE ARG A 34 4.424 2.481 5.157 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.919 3.585 8.174 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.622 1.948 8.766 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.042 0.362 5.925 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.260 0.118 7.490 1.00 0.00 H new ATOM 497 N VAL A 35 1.747 7.752 2.463 1.00 0.00 N ATOM 498 CA VAL A 35 2.019 8.427 1.206 1.00 0.00 C ATOM 499 C VAL A 35 3.519 8.707 1.096 1.00 0.00 C ATOM 500 O VAL A 35 4.127 9.229 2.029 1.00 0.00 O ATOM 501 CB VAL A 35 1.165 9.692 1.096 1.00 0.00 C ATOM 502 CG1 VAL A 35 1.540 10.500 -0.148 1.00 0.00 C ATOM 503 CG2 VAL A 35 -0.326 9.348 1.098 1.00 0.00 C ATOM 0 H VAL A 35 1.799 8.350 3.288 1.00 0.00 H new ATOM 0 HA VAL A 35 1.745 7.791 0.364 1.00 0.00 H new ATOM 0 HB VAL A 35 1.367 10.311 1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.918 11.394 -0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.589 10.791 -0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.380 9.892 -1.039 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.911 10.264 1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.551 8.700 0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.580 8.835 2.025 1.00 0.00 H new ATOM 513 N PRO A 36 4.088 8.338 -0.083 1.00 0.00 N ATOM 514 CA PRO A 36 5.505 8.544 -0.328 1.00 0.00 C ATOM 515 C PRO A 36 5.805 10.019 -0.604 1.00 0.00 C ATOM 516 O PRO A 36 5.085 10.672 -1.358 1.00 0.00 O ATOM 517 CB PRO A 36 5.837 7.640 -1.503 1.00 0.00 C ATOM 518 CG PRO A 36 4.509 7.315 -2.168 1.00 0.00 C ATOM 519 CD PRO A 36 3.399 7.717 -1.211 1.00 0.00 C ATOM 0 HA PRO A 36 6.122 8.294 0.535 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.511 8.138 -2.200 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.338 6.732 -1.168 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.413 7.852 -3.112 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.448 6.252 -2.399 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.703 8.412 -1.681 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.818 6.851 -0.892 1.00 0.00 H new ATOM 527 N VAL A 37 6.869 10.501 0.020 1.00 0.00 N ATOM 528 CA VAL A 37 7.273 11.886 -0.149 1.00 0.00 C ATOM 529 C VAL A 37 8.690 11.933 -0.726 1.00 0.00 C ATOM 530 O VAL A 37 9.439 10.963 -0.621 1.00 0.00 O ATOM 531 CB VAL A 37 7.144 12.635 1.178 1.00 0.00 C ATOM 532 CG1 VAL A 37 5.702 12.600 1.689 1.00 0.00 C ATOM 533 CG2 VAL A 37 8.110 12.072 2.222 1.00 0.00 C ATOM 0 H VAL A 37 7.464 9.957 0.644 1.00 0.00 H new ATOM 0 HA VAL A 37 6.616 12.391 -0.857 1.00 0.00 H new ATOM 0 HB VAL A 37 7.412 13.677 1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.638 13.140 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.045 13.070 0.957 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.395 11.565 1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.998 12.623 3.156 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.888 11.019 2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.134 12.173 1.862 1.00 0.00 H new ATOM 543 N PRO A 38 9.022 13.100 -1.339 1.00 0.00 N ATOM 544 CA PRO A 38 10.335 13.286 -1.933 1.00 0.00 C ATOM 545 C PRO A 38 11.398 13.509 -0.855 1.00 0.00 C ATOM 546 O PRO A 38 11.078 13.586 0.330 1.00 0.00 O ATOM 547 CB PRO A 38 10.179 14.474 -2.869 1.00 0.00 C ATOM 548 CG PRO A 38 8.920 15.196 -2.419 1.00 0.00 C ATOM 549 CD PRO A 38 8.160 14.270 -1.483 1.00 0.00 C ATOM 0 HA PRO A 38 10.677 12.408 -2.480 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.047 15.131 -2.814 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.092 14.146 -3.905 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.174 16.127 -1.912 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.304 15.460 -3.278 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.974 14.746 -0.520 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.189 13.998 -1.897 1.00 0.00 H new ATOM 557 N LYS A 39 12.640 13.607 -1.306 1.00 0.00 N ATOM 558 CA LYS A 39 13.752 13.819 -0.394 1.00 0.00 C ATOM 559 C LYS A 39 13.886 15.315 -0.101 1.00 0.00 C ATOM 560 O LYS A 39 14.854 15.744 0.525 1.00 0.00 O ATOM 561 CB LYS A 39 15.029 13.185 -0.949 1.00 0.00 C ATOM 562 CG LYS A 39 14.755 11.776 -1.480 1.00 0.00 C ATOM 563 CD LYS A 39 14.931 10.731 -0.376 1.00 0.00 C ATOM 564 CE LYS A 39 16.385 10.263 -0.291 1.00 0.00 C ATOM 565 NZ LYS A 39 16.447 8.814 0.002 1.00 0.00 N ATOM 0 H LYS A 39 12.901 13.544 -2.290 1.00 0.00 H new ATOM 0 HA LYS A 39 13.565 13.322 0.558 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.430 13.807 -1.749 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.787 13.142 -0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.741 11.724 -1.877 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.432 11.556 -2.305 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.624 11.153 0.581 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.281 9.878 -0.571 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.896 10.472 -1.231 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.908 10.820 0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.441 8.513 0.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.977 8.623 0.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.966 8.286 -0.754 1.00 0.00 H new ATOM 579 N HIS A 40 12.900 16.068 -0.566 1.00 0.00 N ATOM 580 CA HIS A 40 12.896 17.506 -0.361 1.00 0.00 C ATOM 581 C HIS A 40 11.848 17.871 0.693 1.00 0.00 C ATOM 582 O HIS A 40 11.730 19.033 1.080 1.00 0.00 O ATOM 583 CB HIS A 40 12.686 18.243 -1.685 1.00 0.00 C ATOM 584 CG HIS A 40 11.261 18.217 -2.184 1.00 0.00 C ATOM 585 ND1 HIS A 40 10.897 17.627 -3.382 1.00 0.00 N ATOM 586 CD2 HIS A 40 10.116 18.713 -1.635 1.00 0.00 C ATOM 587 CE1 HIS A 40 9.589 17.769 -3.537 1.00 0.00 C ATOM 588 NE2 HIS A 40 9.106 18.443 -2.453 1.00 0.00 N ATOM 0 H HIS A 40 12.098 15.709 -1.084 1.00 0.00 H new ATOM 0 HA HIS A 40 13.867 17.826 0.016 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.999 19.280 -1.565 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.333 17.800 -2.442 1.00 0.00 H new ATOM 0 HD1 HIS A 40 11.528 17.162 -4.034 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.043 19.237 -0.694 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.007 17.414 -4.374 1.00 0.00 H new ATOM 596 N VAL A 41 11.113 16.857 1.126 1.00 0.00 N ATOM 597 CA VAL A 41 10.079 17.057 2.127 1.00 0.00 C ATOM 598 C VAL A 41 10.575 16.535 3.477 1.00 0.00 C ATOM 599 O VAL A 41 10.730 15.328 3.661 1.00 0.00 O ATOM 600 CB VAL A 41 8.776 16.397 1.673 1.00 0.00 C ATOM 601 CG1 VAL A 41 7.786 16.281 2.833 1.00 0.00 C ATOM 602 CG2 VAL A 41 8.157 17.157 0.498 1.00 0.00 C ATOM 0 H VAL A 41 11.213 15.895 0.802 1.00 0.00 H new ATOM 0 HA VAL A 41 9.864 18.119 2.248 1.00 0.00 H new ATOM 0 HB VAL A 41 9.013 15.389 1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.868 15.808 2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.225 15.677 3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.558 17.275 3.218 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.232 16.667 0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.943 18.182 0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.855 17.164 -0.339 1.00 0.00 H new ATOM 612 N VAL A 42 10.810 17.469 4.387 1.00 0.00 N ATOM 613 CA VAL A 42 11.284 17.118 5.715 1.00 0.00 C ATOM 614 C VAL A 42 10.526 17.942 6.757 1.00 0.00 C ATOM 615 O VAL A 42 10.946 18.028 7.910 1.00 0.00 O ATOM 616 CB VAL A 42 12.801 17.303 5.794 1.00 0.00 C ATOM 617 CG1 VAL A 42 13.523 16.316 4.874 1.00 0.00 C ATOM 618 CG2 VAL A 42 13.195 18.745 5.469 1.00 0.00 C ATOM 0 H VAL A 42 10.681 18.469 4.231 1.00 0.00 H new ATOM 0 HA VAL A 42 11.086 16.067 5.926 1.00 0.00 H new ATOM 0 HB VAL A 42 13.111 17.094 6.818 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.600 16.469 4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.280 15.296 5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.205 16.479 3.844 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.278 18.849 5.532 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.865 18.994 4.460 1.00 0.00 H new ATOM 0 HG23 VAL A 42 12.723 19.421 6.182 1.00 0.00 H new ATOM 628 N LYS A 43 9.423 18.526 6.315 1.00 0.00 N ATOM 629 CA LYS A 43 8.602 19.341 7.195 1.00 0.00 C ATOM 630 C LYS A 43 7.125 19.064 6.909 1.00 0.00 C ATOM 631 O LYS A 43 6.778 18.579 5.833 1.00 0.00 O ATOM 632 CB LYS A 43 8.986 20.816 7.072 1.00 0.00 C ATOM 633 CG LYS A 43 10.258 21.120 7.867 1.00 0.00 C ATOM 634 CD LYS A 43 11.038 22.274 7.234 1.00 0.00 C ATOM 635 CE LYS A 43 12.546 22.067 7.390 1.00 0.00 C ATOM 636 NZ LYS A 43 13.187 23.295 7.911 1.00 0.00 N ATOM 0 H LYS A 43 9.078 18.451 5.358 1.00 0.00 H new ATOM 0 HA LYS A 43 8.781 19.075 8.237 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.139 21.069 6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.169 21.440 7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.997 21.373 8.895 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.887 20.231 7.908 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.785 22.352 6.177 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.746 23.215 7.701 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.737 21.235 8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.984 21.801 6.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.210 23.137 8.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.021 24.081 7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.781 23.532 8.839 1.00 0.00 H new ATOM 650 N GLY A 44 6.295 19.384 7.891 1.00 0.00 N ATOM 651 CA GLY A 44 4.863 19.175 7.758 1.00 0.00 C ATOM 652 C GLY A 44 4.196 20.371 7.074 1.00 0.00 C ATOM 653 O GLY A 44 3.117 20.239 6.499 1.00 0.00 O ATOM 0 H GLY A 44 6.587 19.786 8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.676 18.270 7.180 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.421 19.021 8.743 1.00 0.00 H new ATOM 657 N LYS A 45 4.867 21.511 7.161 1.00 0.00 N ATOM 658 CA LYS A 45 4.353 22.729 6.558 1.00 0.00 C ATOM 659 C LYS A 45 4.478 22.632 5.036 1.00 0.00 C ATOM 660 O LYS A 45 3.845 23.394 4.307 1.00 0.00 O ATOM 661 CB LYS A 45 5.044 23.955 7.155 1.00 0.00 C ATOM 662 CG LYS A 45 6.481 24.079 6.642 1.00 0.00 C ATOM 663 CD LYS A 45 7.120 25.388 7.111 1.00 0.00 C ATOM 664 CE LYS A 45 7.509 26.266 5.919 1.00 0.00 C ATOM 665 NZ LYS A 45 8.763 25.778 5.304 1.00 0.00 N ATOM 0 H LYS A 45 5.761 21.616 7.640 1.00 0.00 H new ATOM 0 HA LYS A 45 3.293 22.848 6.784 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.484 24.854 6.898 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.047 23.881 8.243 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.072 23.234 6.997 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.487 24.037 5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.423 25.928 7.753 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.004 25.171 7.711 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.708 26.261 5.179 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.635 27.298 6.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.013 26.385 4.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.528 25.805 6.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.631 24.801 4.974 1.00 0.00 H new ATOM 679 N GLN A 46 5.300 21.688 4.601 1.00 0.00 N ATOM 680 CA GLN A 46 5.517 21.482 3.179 1.00 0.00 C ATOM 681 C GLN A 46 4.385 20.641 2.586 1.00 0.00 C ATOM 682 O GLN A 46 4.208 20.601 1.369 1.00 0.00 O ATOM 683 CB GLN A 46 6.877 20.830 2.921 1.00 0.00 C ATOM 684 CG GLN A 46 8.018 21.794 3.250 1.00 0.00 C ATOM 685 CD GLN A 46 9.112 21.734 2.182 1.00 0.00 C ATOM 686 OE1 GLN A 46 9.286 22.638 1.382 1.00 0.00 O ATOM 687 NE2 GLN A 46 9.839 20.620 2.214 1.00 0.00 N ATOM 0 H GLN A 46 5.824 21.057 5.208 1.00 0.00 H new ATOM 0 HA GLN A 46 5.518 22.454 2.687 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.972 19.928 3.526 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.945 20.523 1.877 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.631 22.810 3.322 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.441 21.544 4.223 1.00 0.00 H new ATOM 0 HE21 GLN A 46 9.641 19.902 2.910 1.00 0.00 H new ATOM 0 HE22 GLN A 46 10.594 20.485 1.542 1.00 0.00 H new ATOM 696 N VAL A 47 3.647 19.990 3.473 1.00 0.00 N ATOM 697 CA VAL A 47 2.537 19.152 3.052 1.00 0.00 C ATOM 698 C VAL A 47 1.240 19.687 3.663 1.00 0.00 C ATOM 699 O VAL A 47 1.259 20.302 4.728 1.00 0.00 O ATOM 700 CB VAL A 47 2.813 17.693 3.420 1.00 0.00 C ATOM 701 CG1 VAL A 47 3.528 16.966 2.279 1.00 0.00 C ATOM 702 CG2 VAL A 47 3.615 17.598 4.719 1.00 0.00 C ATOM 0 H VAL A 47 3.796 20.026 4.481 1.00 0.00 H new ATOM 0 HA VAL A 47 2.424 19.184 1.968 1.00 0.00 H new ATOM 0 HB VAL A 47 1.854 17.201 3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.712 15.931 2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.904 16.989 1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.477 17.460 2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.798 16.550 4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.567 18.114 4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.052 18.062 5.529 1.00 0.00 H new ATOM 712 N SER A 48 0.144 19.433 2.963 1.00 0.00 N ATOM 713 CA SER A 48 -1.159 19.882 3.423 1.00 0.00 C ATOM 714 C SER A 48 -2.036 18.676 3.767 1.00 0.00 C ATOM 715 O SER A 48 -2.237 17.793 2.935 1.00 0.00 O ATOM 716 CB SER A 48 -1.845 20.754 2.369 1.00 0.00 C ATOM 717 OG SER A 48 -0.912 21.310 1.447 1.00 0.00 O ATOM 0 H SER A 48 0.132 18.922 2.080 1.00 0.00 H new ATOM 0 HA SER A 48 -1.016 20.487 4.318 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.579 20.158 1.827 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.390 21.558 2.863 1.00 0.00 H new ATOM 0 HG SER A 48 -1.389 21.858 0.790 1.00 0.00 H new ATOM 723 N VAL A 49 -2.535 18.678 4.994 1.00 0.00 N ATOM 724 CA VAL A 49 -3.385 17.596 5.458 1.00 0.00 C ATOM 725 C VAL A 49 -4.743 18.164 5.878 1.00 0.00 C ATOM 726 O VAL A 49 -4.855 18.807 6.921 1.00 0.00 O ATOM 727 CB VAL A 49 -2.687 16.825 6.580 1.00 0.00 C ATOM 728 CG1 VAL A 49 -3.622 15.781 7.193 1.00 0.00 C ATOM 729 CG2 VAL A 49 -1.395 16.177 6.078 1.00 0.00 C ATOM 0 H VAL A 49 -2.367 19.413 5.681 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.565 16.881 4.655 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.423 17.537 7.362 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.101 15.248 7.988 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.501 16.277 7.605 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.932 15.074 6.424 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.918 15.635 6.895 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.626 15.484 5.269 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.719 16.950 5.712 1.00 0.00 H new ATOM 739 N ALA A 50 -5.740 17.906 5.044 1.00 0.00 N ATOM 740 CA ALA A 50 -7.085 18.383 5.316 1.00 0.00 C ATOM 741 C ALA A 50 -7.965 17.204 5.735 1.00 0.00 C ATOM 742 O ALA A 50 -8.221 16.302 4.938 1.00 0.00 O ATOM 743 CB ALA A 50 -7.629 19.107 4.083 1.00 0.00 C ATOM 0 H ALA A 50 -5.643 17.373 4.180 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.079 19.098 6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.638 19.465 4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.985 19.953 3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.652 18.419 3.238 1.00 0.00 H new ATOM 749 N LEU A 51 -8.404 17.248 6.984 1.00 0.00 N ATOM 750 CA LEU A 51 -9.250 16.194 7.518 1.00 0.00 C ATOM 751 C LEU A 51 -10.603 16.786 7.920 1.00 0.00 C ATOM 752 O LEU A 51 -10.665 17.889 8.461 1.00 0.00 O ATOM 753 CB LEU A 51 -8.538 15.460 8.656 1.00 0.00 C ATOM 754 CG LEU A 51 -7.264 14.705 8.273 1.00 0.00 C ATOM 755 CD1 LEU A 51 -6.422 14.386 9.510 1.00 0.00 C ATOM 756 CD2 LEU A 51 -7.593 13.449 7.464 1.00 0.00 C ATOM 0 H LEU A 51 -8.190 17.997 7.642 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.445 15.440 6.756 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.288 16.186 9.430 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.238 14.751 9.098 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.663 15.352 7.633 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.522 13.849 9.209 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.141 15.314 10.008 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.002 13.767 10.195 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.670 12.931 7.205 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.225 12.789 8.058 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.119 13.731 6.552 1.00 0.00 H new ATOM 768 N SER A 52 -11.652 16.027 7.639 1.00 0.00 N ATOM 769 CA SER A 52 -12.999 16.463 7.964 1.00 0.00 C ATOM 770 C SER A 52 -13.760 15.335 8.663 1.00 0.00 C ATOM 771 O SER A 52 -14.120 15.456 9.833 1.00 0.00 O ATOM 772 CB SER A 52 -13.751 16.913 6.709 1.00 0.00 C ATOM 773 OG SER A 52 -13.294 18.178 6.238 1.00 0.00 O ATOM 0 H SER A 52 -11.596 15.113 7.190 1.00 0.00 H new ATOM 0 HA SER A 52 -12.928 17.317 8.638 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.626 16.167 5.924 1.00 0.00 H new ATOM 0 HB3 SER A 52 -14.818 16.971 6.927 1.00 0.00 H new ATOM 0 HG SER A 52 -13.797 18.429 5.435 1.00 0.00 H new ATOM 779 N SER A 53 -13.982 14.263 7.916 1.00 0.00 N ATOM 780 CA SER A 53 -14.693 13.114 8.449 1.00 0.00 C ATOM 781 C SER A 53 -14.880 12.060 7.356 1.00 0.00 C ATOM 782 O SER A 53 -14.550 10.892 7.551 1.00 0.00 O ATOM 783 CB SER A 53 -16.049 13.525 9.027 1.00 0.00 C ATOM 784 OG SER A 53 -16.875 14.157 8.053 1.00 0.00 O ATOM 0 H SER A 53 -13.682 14.166 6.946 1.00 0.00 H new ATOM 0 HA SER A 53 -14.097 12.689 9.257 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.558 12.644 9.418 1.00 0.00 H new ATOM 0 HB3 SER A 53 -15.895 14.203 9.867 1.00 0.00 H new ATOM 0 HG SER A 53 -17.732 14.403 8.460 1.00 0.00 H new ATOM 790 N SER A 54 -15.409 12.512 6.228 1.00 0.00 N ATOM 791 CA SER A 54 -15.643 11.622 5.103 1.00 0.00 C ATOM 792 C SER A 54 -14.797 12.059 3.905 1.00 0.00 C ATOM 793 O SER A 54 -15.214 11.908 2.758 1.00 0.00 O ATOM 794 CB SER A 54 -17.125 11.593 4.723 1.00 0.00 C ATOM 795 OG SER A 54 -17.574 12.852 4.229 1.00 0.00 O ATOM 0 H SER A 54 -15.682 13.482 6.069 1.00 0.00 H new ATOM 0 HA SER A 54 -15.351 10.614 5.398 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.290 10.827 3.966 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.717 11.313 5.594 1.00 0.00 H new ATOM 0 HG SER A 54 -18.524 12.792 3.996 1.00 0.00 H new ATOM 801 N SER A 55 -13.624 12.592 4.213 1.00 0.00 N ATOM 802 CA SER A 55 -12.715 13.052 3.176 1.00 0.00 C ATOM 803 C SER A 55 -11.307 13.219 3.751 1.00 0.00 C ATOM 804 O SER A 55 -11.101 13.064 4.954 1.00 0.00 O ATOM 805 CB SER A 55 -13.199 14.369 2.565 1.00 0.00 C ATOM 806 OG SER A 55 -12.281 14.878 1.601 1.00 0.00 O ATOM 0 H SER A 55 -13.282 12.716 5.166 1.00 0.00 H new ATOM 0 HA SER A 55 -12.691 12.303 2.385 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.171 14.216 2.095 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.340 15.106 3.356 1.00 0.00 H new ATOM 0 HG SER A 55 -12.626 15.718 1.233 1.00 0.00 H new ATOM 812 N ILE A 56 -10.374 13.533 2.864 1.00 0.00 N ATOM 813 CA ILE A 56 -8.991 13.722 3.268 1.00 0.00 C ATOM 814 C ILE A 56 -8.228 14.425 2.144 1.00 0.00 C ATOM 815 O ILE A 56 -8.605 14.328 0.977 1.00 0.00 O ATOM 816 CB ILE A 56 -8.370 12.390 3.694 1.00 0.00 C ATOM 817 CG1 ILE A 56 -7.015 12.609 4.370 1.00 0.00 C ATOM 818 CG2 ILE A 56 -8.271 11.428 2.509 1.00 0.00 C ATOM 819 CD1 ILE A 56 -5.870 12.442 3.369 1.00 0.00 C ATOM 0 H ILE A 56 -10.549 13.661 1.867 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.935 14.368 4.144 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.026 11.926 4.431 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -6.979 13.607 4.806 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.894 11.899 5.188 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.826 10.489 2.839 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.268 11.237 2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.648 11.871 1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.918 12.603 3.875 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.894 11.435 2.953 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.981 13.169 2.565 1.00 0.00 H new ATOM 831 N ARG A 57 -7.168 15.118 2.535 1.00 0.00 N ATOM 832 CA ARG A 57 -6.349 15.837 1.574 1.00 0.00 C ATOM 833 C ARG A 57 -4.864 15.613 1.870 1.00 0.00 C ATOM 834 O ARG A 57 -4.435 15.713 3.019 1.00 0.00 O ATOM 835 CB ARG A 57 -6.648 17.337 1.609 1.00 0.00 C ATOM 836 CG ARG A 57 -6.662 17.926 0.197 1.00 0.00 C ATOM 837 CD ARG A 57 -5.526 18.935 0.012 1.00 0.00 C ATOM 838 NE ARG A 57 -5.951 20.012 -0.910 1.00 0.00 N ATOM 839 CZ ARG A 57 -6.210 19.828 -2.211 1.00 0.00 C ATOM 840 NH1 ARG A 57 -6.089 18.608 -2.752 1.00 0.00 N ATOM 841 NH2 ARG A 57 -6.590 20.863 -2.972 1.00 0.00 N ATOM 0 H ARG A 57 -6.858 15.197 3.504 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.588 15.454 0.582 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.612 17.508 2.088 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.897 17.847 2.212 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.565 17.125 -0.536 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.619 18.413 0.012 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.245 19.360 0.976 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.643 18.433 -0.384 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.053 20.953 -0.531 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.800 17.820 -2.173 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.286 18.468 -3.743 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.682 21.792 -2.561 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.787 20.722 -3.963 1.00 0.00 H new ATOM 855 N VAL A 58 -4.122 15.314 0.815 1.00 0.00 N ATOM 856 CA VAL A 58 -2.694 15.075 0.947 1.00 0.00 C ATOM 857 C VAL A 58 -1.959 15.750 -0.213 1.00 0.00 C ATOM 858 O VAL A 58 -2.043 15.296 -1.353 1.00 0.00 O ATOM 859 CB VAL A 58 -2.422 13.572 1.035 1.00 0.00 C ATOM 860 CG1 VAL A 58 -0.923 13.295 1.173 1.00 0.00 C ATOM 861 CG2 VAL A 58 -3.205 12.939 2.187 1.00 0.00 C ATOM 0 H VAL A 58 -4.482 15.232 -0.136 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.316 15.515 1.870 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.764 13.114 0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.756 12.220 1.234 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.398 13.696 0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.547 13.772 2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.993 11.870 2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.908 13.403 3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.273 13.092 2.029 1.00 0.00 H new ATOM 871 N ALA A 59 -1.255 16.822 0.118 1.00 0.00 N ATOM 872 CA ALA A 59 -0.505 17.563 -0.882 1.00 0.00 C ATOM 873 C ALA A 59 0.886 17.886 -0.334 1.00 0.00 C ATOM 874 O ALA A 59 1.086 17.926 0.879 1.00 0.00 O ATOM 875 CB ALA A 59 -1.283 18.820 -1.275 1.00 0.00 C ATOM 0 H ALA A 59 -1.188 17.195 1.065 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.373 16.965 -1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.721 19.376 -2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.252 18.535 -1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.432 19.446 -0.395 1.00 0.00 H new ATOM 881 N MET A 60 1.813 18.109 -1.255 1.00 0.00 N ATOM 882 CA MET A 60 3.180 18.427 -0.879 1.00 0.00 C ATOM 883 C MET A 60 3.736 19.561 -1.743 1.00 0.00 C ATOM 884 O MET A 60 3.467 19.623 -2.941 1.00 0.00 O ATOM 885 CB MET A 60 4.057 17.184 -1.042 1.00 0.00 C ATOM 886 CG MET A 60 3.931 16.605 -2.453 1.00 0.00 C ATOM 887 SD MET A 60 5.534 16.092 -3.047 1.00 0.00 S ATOM 888 CE MET A 60 6.432 17.625 -2.881 1.00 0.00 C ATOM 0 H MET A 60 1.644 18.076 -2.260 1.00 0.00 H new ATOM 0 HA MET A 60 3.185 18.752 0.161 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.097 17.440 -0.842 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.767 16.431 -0.309 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.247 15.756 -2.447 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.507 17.351 -3.125 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.102 17.748 -3.732 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.729 18.457 -2.850 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.015 17.607 -1.960 1.00 0.00 H new ATOM 898 N LEU A 61 4.501 20.431 -1.100 1.00 0.00 N ATOM 899 CA LEU A 61 5.097 21.560 -1.794 1.00 0.00 C ATOM 900 C LEU A 61 6.108 21.046 -2.820 1.00 0.00 C ATOM 901 O LEU A 61 6.968 20.229 -2.494 1.00 0.00 O ATOM 902 CB LEU A 61 5.689 22.553 -0.792 1.00 0.00 C ATOM 903 CG LEU A 61 4.680 23.343 0.045 1.00 0.00 C ATOM 904 CD1 LEU A 61 5.300 24.639 0.572 1.00 0.00 C ATOM 905 CD2 LEU A 61 3.395 23.602 -0.744 1.00 0.00 C ATOM 0 H LEU A 61 4.722 20.377 -0.106 1.00 0.00 H new ATOM 0 HA LEU A 61 4.336 22.113 -2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.345 22.007 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.312 23.261 -1.338 1.00 0.00 H new ATOM 0 HG LEU A 61 4.409 22.740 0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.562 25.181 1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.162 24.403 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.618 25.258 -0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.696 24.165 -0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.628 24.175 -1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.944 22.651 -1.028 1.00 0.00 H new ATOM 917 N GLU A 62 5.971 21.544 -4.040 1.00 0.00 N ATOM 918 CA GLU A 62 6.862 21.145 -5.116 1.00 0.00 C ATOM 919 C GLU A 62 7.727 22.328 -5.555 1.00 0.00 C ATOM 920 O GLU A 62 7.705 23.385 -4.926 1.00 0.00 O ATOM 921 CB GLU A 62 6.074 20.575 -6.297 1.00 0.00 C ATOM 922 CG GLU A 62 5.846 19.071 -6.129 1.00 0.00 C ATOM 923 CD GLU A 62 6.446 18.291 -7.300 1.00 0.00 C ATOM 924 OE1 GLU A 62 6.470 18.863 -8.410 1.00 0.00 O ATOM 925 OE2 GLU A 62 6.867 17.139 -7.058 1.00 0.00 O ATOM 0 H GLU A 62 5.256 22.221 -4.307 1.00 0.00 H new ATOM 0 HA GLU A 62 7.518 20.358 -4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.114 21.085 -6.379 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.615 20.763 -7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.295 18.734 -5.195 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.777 18.867 -6.061 1.00 0.00 H new ATOM 932 N GLU A 63 8.470 22.110 -6.630 1.00 0.00 N ATOM 933 CA GLU A 63 9.341 23.145 -7.161 1.00 0.00 C ATOM 934 C GLU A 63 8.574 24.033 -8.144 1.00 0.00 C ATOM 935 O GLU A 63 9.136 24.972 -8.705 1.00 0.00 O ATOM 936 CB GLU A 63 10.578 22.535 -7.823 1.00 0.00 C ATOM 937 CG GLU A 63 11.858 22.996 -7.123 1.00 0.00 C ATOM 938 CD GLU A 63 13.080 22.781 -8.018 1.00 0.00 C ATOM 939 OE1 GLU A 63 13.097 21.744 -8.717 1.00 0.00 O ATOM 940 OE2 GLU A 63 13.970 23.658 -7.984 1.00 0.00 O ATOM 0 H GLU A 63 8.487 21.231 -7.148 1.00 0.00 H new ATOM 0 HA GLU A 63 9.682 23.765 -6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.513 21.447 -7.791 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.611 22.821 -8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.775 24.051 -6.863 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.985 22.447 -6.190 1.00 0.00 H new ATOM 947 N ASN A 64 7.304 23.703 -8.322 1.00 0.00 N ATOM 948 CA ASN A 64 6.454 24.458 -9.227 1.00 0.00 C ATOM 949 C ASN A 64 4.989 24.238 -8.847 1.00 0.00 C ATOM 950 O ASN A 64 4.190 23.796 -9.672 1.00 0.00 O ATOM 951 CB ASN A 64 6.642 23.995 -10.673 1.00 0.00 C ATOM 952 CG ASN A 64 6.574 22.470 -10.774 1.00 0.00 C ATOM 953 OD1 ASN A 64 6.653 21.752 -9.791 1.00 0.00 O ATOM 954 ND2 ASN A 64 6.422 22.016 -12.015 1.00 0.00 N ATOM 0 H ASN A 64 6.842 22.923 -7.855 1.00 0.00 H new ATOM 0 HA ASN A 64 6.726 25.510 -9.147 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.872 24.439 -11.304 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.603 24.345 -11.049 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.365 21.012 -12.187 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.363 22.672 -12.794 1.00 0.00 H new ATOM 961 N GLY A 65 4.680 24.556 -7.599 1.00 0.00 N ATOM 962 CA GLY A 65 3.324 24.399 -7.100 1.00 0.00 C ATOM 963 C GLY A 65 3.125 23.014 -6.481 1.00 0.00 C ATOM 964 O GLY A 65 3.307 21.998 -7.151 1.00 0.00 O ATOM 0 H GLY A 65 5.345 24.922 -6.918 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.115 25.167 -6.356 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.614 24.543 -7.914 1.00 0.00 H new ATOM 968 N GLU A 66 2.755 23.017 -5.209 1.00 0.00 N ATOM 969 CA GLU A 66 2.529 21.773 -4.492 1.00 0.00 C ATOM 970 C GLU A 66 1.729 20.798 -5.359 1.00 0.00 C ATOM 971 O GLU A 66 1.141 21.195 -6.364 1.00 0.00 O ATOM 972 CB GLU A 66 1.822 22.029 -3.160 1.00 0.00 C ATOM 973 CG GLU A 66 0.320 22.234 -3.367 1.00 0.00 C ATOM 974 CD GLU A 66 0.039 23.572 -4.055 1.00 0.00 C ATOM 975 OE1 GLU A 66 0.712 24.555 -3.679 1.00 0.00 O ATOM 976 OE2 GLU A 66 -0.843 23.580 -4.941 1.00 0.00 O ATOM 0 H GLU A 66 2.606 23.861 -4.656 1.00 0.00 H new ATOM 0 HA GLU A 66 3.497 21.322 -4.272 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.989 21.187 -2.488 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.250 22.909 -2.680 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.082 21.420 -3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.191 22.201 -2.405 1.00 0.00 H new ATOM 983 N ARG A 67 1.733 19.542 -4.938 1.00 0.00 N ATOM 984 CA ARG A 67 1.015 18.508 -5.664 1.00 0.00 C ATOM 985 C ARG A 67 0.190 17.657 -4.697 1.00 0.00 C ATOM 986 O ARG A 67 0.672 17.277 -3.631 1.00 0.00 O ATOM 987 CB ARG A 67 1.980 17.603 -6.432 1.00 0.00 C ATOM 988 CG ARG A 67 1.218 16.571 -7.266 1.00 0.00 C ATOM 989 CD ARG A 67 2.056 16.103 -8.458 1.00 0.00 C ATOM 990 NE ARG A 67 1.172 15.771 -9.598 1.00 0.00 N ATOM 991 CZ ARG A 67 1.598 15.625 -10.860 1.00 0.00 C ATOM 992 NH1 ARG A 67 2.896 15.780 -11.152 1.00 0.00 N ATOM 993 NH2 ARG A 67 0.724 15.323 -11.831 1.00 0.00 N ATOM 0 H ARG A 67 2.222 19.217 -4.104 1.00 0.00 H new ATOM 0 HA ARG A 67 0.353 19.001 -6.376 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.611 18.208 -7.083 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.641 17.093 -5.731 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.956 15.716 -6.643 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.283 17.004 -7.622 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.759 16.884 -8.748 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.646 15.230 -8.178 1.00 0.00 H new ATOM 0 HE ARG A 67 0.177 15.646 -9.411 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.561 16.009 -10.413 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.219 15.669 -12.113 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.264 15.205 -11.609 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.048 15.212 -12.792 1.00 0.00 H new ATOM 1007 N VAL A 68 -1.041 17.382 -5.103 1.00 0.00 N ATOM 1008 CA VAL A 68 -1.938 16.582 -4.286 1.00 0.00 C ATOM 1009 C VAL A 68 -1.640 15.099 -4.511 1.00 0.00 C ATOM 1010 O VAL A 68 -2.079 14.517 -5.502 1.00 0.00 O ATOM 1011 CB VAL A 68 -3.391 16.953 -4.589 1.00 0.00 C ATOM 1012 CG1 VAL A 68 -4.359 16.020 -3.857 1.00 0.00 C ATOM 1013 CG2 VAL A 68 -3.669 18.416 -4.238 1.00 0.00 C ATOM 0 H VAL A 68 -1.438 17.699 -5.987 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.777 16.788 -3.228 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.551 16.830 -5.660 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.385 16.305 -4.089 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.187 14.993 -4.178 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.196 16.097 -2.782 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.709 18.653 -4.463 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.482 18.577 -3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.015 19.061 -4.824 1.00 0.00 H new ATOM 1023 N LEU A 69 -0.896 14.529 -3.575 1.00 0.00 N ATOM 1024 CA LEU A 69 -0.534 13.124 -3.658 1.00 0.00 C ATOM 1025 C LEU A 69 -1.797 12.269 -3.542 1.00 0.00 C ATOM 1026 O LEU A 69 -2.033 11.388 -4.368 1.00 0.00 O ATOM 1027 CB LEU A 69 0.537 12.784 -2.620 1.00 0.00 C ATOM 1028 CG LEU A 69 1.743 13.724 -2.567 1.00 0.00 C ATOM 1029 CD1 LEU A 69 2.664 13.369 -1.398 1.00 0.00 C ATOM 1030 CD2 LEU A 69 2.490 13.732 -3.903 1.00 0.00 C ATOM 0 H LEU A 69 -0.534 15.015 -2.755 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.087 12.902 -4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.069 12.770 -1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.897 11.774 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 69 1.380 14.737 -2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.513 14.052 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.113 13.455 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.023 12.347 -1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.343 14.408 -3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.841 12.725 -4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.819 14.069 -4.693 1.00 0.00 H new ATOM 1042 N MET A 70 -2.576 12.558 -2.510 1.00 0.00 N ATOM 1043 CA MET A 70 -3.809 11.826 -2.276 1.00 0.00 C ATOM 1044 C MET A 70 -4.926 12.766 -1.817 1.00 0.00 C ATOM 1045 O MET A 70 -4.689 13.675 -1.022 1.00 0.00 O ATOM 1046 CB MET A 70 -3.572 10.755 -1.209 1.00 0.00 C ATOM 1047 CG MET A 70 -4.889 10.096 -0.792 1.00 0.00 C ATOM 1048 SD MET A 70 -4.618 9.024 0.609 1.00 0.00 S ATOM 1049 CE MET A 70 -6.269 8.384 0.834 1.00 0.00 C ATOM 0 H MET A 70 -2.377 13.289 -1.827 1.00 0.00 H new ATOM 0 HA MET A 70 -4.115 11.358 -3.212 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.888 9.998 -1.594 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.094 11.204 -0.338 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.624 10.860 -0.539 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.298 9.524 -1.624 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.581 8.537 1.867 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.955 8.906 0.167 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.280 7.318 0.605 1.00 0.00 H new ATOM 1059 N GLU A 71 -6.118 12.515 -2.336 1.00 0.00 N ATOM 1060 CA GLU A 71 -7.272 13.327 -1.990 1.00 0.00 C ATOM 1061 C GLU A 71 -8.547 12.715 -2.574 1.00 0.00 C ATOM 1062 O GLU A 71 -8.510 12.082 -3.628 1.00 0.00 O ATOM 1063 CB GLU A 71 -7.089 14.770 -2.465 1.00 0.00 C ATOM 1064 CG GLU A 71 -8.262 15.646 -2.022 1.00 0.00 C ATOM 1065 CD GLU A 71 -9.488 15.410 -2.907 1.00 0.00 C ATOM 1066 OE1 GLU A 71 -9.283 15.259 -4.131 1.00 0.00 O ATOM 1067 OE2 GLU A 71 -10.602 15.387 -2.340 1.00 0.00 O ATOM 0 H GLU A 71 -6.310 11.760 -2.994 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.366 13.345 -0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.158 15.173 -2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.005 14.791 -3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.511 15.428 -0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.973 16.696 -2.067 1.00 0.00 H new ATOM 1074 N GLY A 72 -9.645 12.925 -1.863 1.00 0.00 N ATOM 1075 CA GLY A 72 -10.929 12.402 -2.298 1.00 0.00 C ATOM 1076 C GLY A 72 -11.809 12.042 -1.098 1.00 0.00 C ATOM 1077 O GLY A 72 -11.301 11.771 -0.011 1.00 0.00 O ATOM 0 H GLY A 72 -9.672 13.450 -0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.436 13.142 -2.917 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.775 11.519 -2.919 1.00 0.00 H new ATOM 1081 N LYS A 73 -13.112 12.051 -1.337 1.00 0.00 N ATOM 1082 CA LYS A 73 -14.067 11.729 -0.290 1.00 0.00 C ATOM 1083 C LYS A 73 -13.886 10.268 0.126 1.00 0.00 C ATOM 1084 O LYS A 73 -13.739 9.390 -0.723 1.00 0.00 O ATOM 1085 CB LYS A 73 -15.489 12.069 -0.739 1.00 0.00 C ATOM 1086 CG LYS A 73 -15.742 13.576 -0.664 1.00 0.00 C ATOM 1087 CD LYS A 73 -15.709 14.208 -2.057 1.00 0.00 C ATOM 1088 CE LYS A 73 -14.886 15.497 -2.055 1.00 0.00 C ATOM 1089 NZ LYS A 73 -13.739 15.381 -2.983 1.00 0.00 N ATOM 0 H LYS A 73 -13.529 12.276 -2.240 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.883 12.338 0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.645 11.721 -1.760 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.208 11.544 -0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -16.710 13.763 -0.199 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.988 14.044 -0.031 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.284 13.502 -2.770 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -16.725 14.422 -2.387 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.515 16.338 -2.348 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.526 15.704 -1.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.191 16.265 -2.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.131 14.592 -2.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.088 15.205 -3.947 1.00 0.00 H new ATOM 1103 N LEU A 74 -13.904 10.052 1.434 1.00 0.00 N ATOM 1104 CA LEU A 74 -13.745 8.712 1.973 1.00 0.00 C ATOM 1105 C LEU A 74 -15.054 7.939 1.802 1.00 0.00 C ATOM 1106 O LEU A 74 -16.052 8.494 1.345 1.00 0.00 O ATOM 1107 CB LEU A 74 -13.250 8.772 3.420 1.00 0.00 C ATOM 1108 CG LEU A 74 -11.912 9.480 3.642 1.00 0.00 C ATOM 1109 CD1 LEU A 74 -11.789 9.980 5.083 1.00 0.00 C ATOM 1110 CD2 LEU A 74 -10.742 8.577 3.247 1.00 0.00 C ATOM 0 H LEU A 74 -14.026 10.782 2.135 1.00 0.00 H new ATOM 0 HA LEU A 74 -12.979 8.168 1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -14.008 9.273 4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.166 7.753 3.797 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.877 10.355 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.829 10.479 5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.595 10.682 5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.855 9.135 5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.803 9.104 3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -10.762 7.670 3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.826 8.312 2.193 1.00 0.00 H new ATOM 1122 N THR A 75 -15.008 6.670 2.179 1.00 0.00 N ATOM 1123 CA THR A 75 -16.178 5.815 2.074 1.00 0.00 C ATOM 1124 C THR A 75 -17.113 6.041 3.264 1.00 0.00 C ATOM 1125 O THR A 75 -18.332 6.084 3.101 1.00 0.00 O ATOM 1126 CB THR A 75 -15.697 4.368 1.946 1.00 0.00 C ATOM 1127 OG1 THR A 75 -14.977 4.134 3.153 1.00 0.00 O ATOM 1128 CG2 THR A 75 -14.647 4.195 0.847 1.00 0.00 C ATOM 0 H THR A 75 -14.178 6.213 2.558 1.00 0.00 H new ATOM 0 HA THR A 75 -16.766 6.057 1.188 1.00 0.00 H new ATOM 0 HB THR A 75 -16.548 3.719 1.740 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.128 3.691 2.947 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.340 3.150 0.798 1.00 0.00 H new ATOM 0 HG22 THR A 75 -15.071 4.493 -0.112 1.00 0.00 H new ATOM 0 HG23 THR A 75 -13.781 4.818 1.070 1.00 0.00 H new ATOM 1136 N HIS A 76 -16.507 6.180 4.434 1.00 0.00 N ATOM 1137 CA HIS A 76 -17.270 6.401 5.650 1.00 0.00 C ATOM 1138 C HIS A 76 -16.688 7.593 6.412 1.00 0.00 C ATOM 1139 O HIS A 76 -15.735 8.222 5.953 1.00 0.00 O ATOM 1140 CB HIS A 76 -17.324 5.127 6.496 1.00 0.00 C ATOM 1141 CG HIS A 76 -18.509 4.240 6.196 1.00 0.00 C ATOM 1142 ND1 HIS A 76 -18.632 3.527 5.016 1.00 0.00 N ATOM 1143 CD2 HIS A 76 -19.621 3.959 6.934 1.00 0.00 C ATOM 1144 CE1 HIS A 76 -19.771 2.851 5.053 1.00 0.00 C ATOM 1145 NE2 HIS A 76 -20.383 3.120 6.242 1.00 0.00 N ATOM 0 H HIS A 76 -15.496 6.144 4.565 1.00 0.00 H new ATOM 0 HA HIS A 76 -18.302 6.645 5.397 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -16.408 4.558 6.337 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -17.348 5.404 7.550 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -19.844 4.352 7.915 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -20.149 2.201 4.278 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -21.278 2.739 6.549 1.00 0.00 H new ATOM 1153 N LYS A 77 -17.286 7.869 7.561 1.00 0.00 N ATOM 1154 CA LYS A 77 -16.839 8.976 8.390 1.00 0.00 C ATOM 1155 C LYS A 77 -15.759 8.481 9.355 1.00 0.00 C ATOM 1156 O LYS A 77 -15.554 7.277 9.497 1.00 0.00 O ATOM 1157 CB LYS A 77 -18.029 9.638 9.087 1.00 0.00 C ATOM 1158 CG LYS A 77 -18.863 10.451 8.095 1.00 0.00 C ATOM 1159 CD LYS A 77 -19.911 11.296 8.822 1.00 0.00 C ATOM 1160 CE LYS A 77 -20.711 12.147 7.833 1.00 0.00 C ATOM 1161 NZ LYS A 77 -20.855 13.531 8.339 1.00 0.00 N ATOM 0 H LYS A 77 -18.076 7.346 7.938 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.386 9.754 7.775 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.653 8.875 9.552 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.672 10.288 9.886 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.210 11.099 7.511 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.356 9.779 7.393 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.587 10.645 9.377 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.421 11.942 9.550 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.210 12.158 6.865 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.696 11.706 7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -21.400 14.095 7.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.353 13.517 9.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.913 13.954 8.464 1.00 0.00 H new ATOM 1175 N ILE A 78 -15.098 9.436 9.992 1.00 0.00 N ATOM 1176 CA ILE A 78 -14.044 9.112 10.939 1.00 0.00 C ATOM 1177 C ILE A 78 -14.049 10.140 12.072 1.00 0.00 C ATOM 1178 O ILE A 78 -14.881 11.047 12.089 1.00 0.00 O ATOM 1179 CB ILE A 78 -12.698 8.993 10.223 1.00 0.00 C ATOM 1180 CG1 ILE A 78 -12.348 10.291 9.493 1.00 0.00 C ATOM 1181 CG2 ILE A 78 -12.682 7.785 9.283 1.00 0.00 C ATOM 1182 CD1 ILE A 78 -11.283 11.080 10.257 1.00 0.00 C ATOM 0 H ILE A 78 -15.271 10.434 9.871 1.00 0.00 H new ATOM 0 HA ILE A 78 -14.225 8.137 11.391 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.925 8.828 10.974 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -11.987 10.062 8.490 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.244 10.901 9.378 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.714 7.723 8.786 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.854 6.875 9.857 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -13.467 7.896 8.535 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -11.053 11.998 9.716 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.657 11.328 11.250 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.380 10.477 10.349 1.00 0.00 H new ATOM 1194 N ASN A 79 -13.111 9.966 12.991 1.00 0.00 N ATOM 1195 CA ASN A 79 -12.996 10.867 14.125 1.00 0.00 C ATOM 1196 C ASN A 79 -11.712 11.688 13.990 1.00 0.00 C ATOM 1197 O ASN A 79 -10.720 11.410 14.663 1.00 0.00 O ATOM 1198 CB ASN A 79 -12.926 10.091 15.441 1.00 0.00 C ATOM 1199 CG ASN A 79 -13.458 10.932 16.603 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -13.308 12.142 16.647 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -14.085 10.225 17.539 1.00 0.00 N ATOM 0 H ASN A 79 -12.423 9.213 12.973 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.875 11.512 14.134 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -13.507 9.172 15.357 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.895 9.799 15.641 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -14.476 10.694 18.356 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -14.175 9.214 17.440 1.00 0.00 H new ATOM 1208 N THR A 80 -11.772 12.683 13.117 1.00 0.00 N ATOM 1209 CA THR A 80 -10.626 13.546 12.886 1.00 0.00 C ATOM 1210 C THR A 80 -9.891 13.819 14.200 1.00 0.00 C ATOM 1211 O THR A 80 -8.668 13.700 14.267 1.00 0.00 O ATOM 1212 CB THR A 80 -11.123 14.816 12.193 1.00 0.00 C ATOM 1213 OG1 THR A 80 -12.066 15.366 13.109 1.00 0.00 O ATOM 1214 CG2 THR A 80 -11.951 14.514 10.942 1.00 0.00 C ATOM 0 H THR A 80 -12.596 12.911 12.561 1.00 0.00 H new ATOM 0 HA THR A 80 -9.895 13.067 12.234 1.00 0.00 H new ATOM 0 HB THR A 80 -10.270 15.439 11.923 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.437 16.194 12.739 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.279 15.449 10.488 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.343 13.958 10.228 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.822 13.919 11.217 1.00 0.00 H new ATOM 1222 N GLU A 81 -10.667 14.180 15.211 1.00 0.00 N ATOM 1223 CA GLU A 81 -10.104 14.470 16.519 1.00 0.00 C ATOM 1224 C GLU A 81 -9.257 13.293 17.006 1.00 0.00 C ATOM 1225 O GLU A 81 -8.103 13.473 17.394 1.00 0.00 O ATOM 1226 CB GLU A 81 -11.205 14.808 17.527 1.00 0.00 C ATOM 1227 CG GLU A 81 -10.750 15.908 18.488 1.00 0.00 C ATOM 1228 CD GLU A 81 -11.815 16.181 19.552 1.00 0.00 C ATOM 1229 OE1 GLU A 81 -12.935 16.564 19.148 1.00 0.00 O ATOM 1230 OE2 GLU A 81 -11.486 16.002 20.744 1.00 0.00 O ATOM 0 H GLU A 81 -11.680 14.278 15.151 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.458 15.344 16.429 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.101 15.131 16.997 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -11.473 13.915 18.092 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.817 15.613 18.969 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.546 16.822 17.930 1.00 0.00 H new ATOM 1237 N SER A 82 -9.862 12.115 16.970 1.00 0.00 N ATOM 1238 CA SER A 82 -9.177 10.909 17.402 1.00 0.00 C ATOM 1239 C SER A 82 -8.112 10.514 16.377 1.00 0.00 C ATOM 1240 O SER A 82 -7.159 9.810 16.706 1.00 0.00 O ATOM 1241 CB SER A 82 -10.165 9.759 17.611 1.00 0.00 C ATOM 1242 OG SER A 82 -9.948 9.086 18.847 1.00 0.00 O ATOM 0 H SER A 82 -10.819 11.970 16.648 1.00 0.00 H new ATOM 0 HA SER A 82 -8.693 11.115 18.357 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.183 10.147 17.583 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.072 9.048 16.790 1.00 0.00 H new ATOM 0 HG SER A 82 -10.600 8.360 18.943 1.00 0.00 H new ATOM 1248 N SER A 83 -8.311 10.986 15.154 1.00 0.00 N ATOM 1249 CA SER A 83 -7.380 10.691 14.079 1.00 0.00 C ATOM 1250 C SER A 83 -6.141 11.581 14.200 1.00 0.00 C ATOM 1251 O SER A 83 -6.156 12.577 14.922 1.00 0.00 O ATOM 1252 CB SER A 83 -8.039 10.883 12.711 1.00 0.00 C ATOM 1253 OG SER A 83 -9.254 10.147 12.597 1.00 0.00 O ATOM 0 H SER A 83 -9.103 11.570 14.885 1.00 0.00 H new ATOM 0 HA SER A 83 -7.079 9.647 14.165 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.240 11.942 12.551 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.349 10.568 11.928 1.00 0.00 H new ATOM 0 HG SER A 83 -9.588 9.926 13.492 1.00 0.00 H new ATOM 1259 N LEU A 84 -5.098 11.190 13.483 1.00 0.00 N ATOM 1260 CA LEU A 84 -3.853 11.939 13.502 1.00 0.00 C ATOM 1261 C LEU A 84 -3.172 11.823 12.137 1.00 0.00 C ATOM 1262 O LEU A 84 -3.687 11.160 11.237 1.00 0.00 O ATOM 1263 CB LEU A 84 -2.973 11.487 14.669 1.00 0.00 C ATOM 1264 CG LEU A 84 -2.053 10.296 14.393 1.00 0.00 C ATOM 1265 CD1 LEU A 84 -0.625 10.762 14.101 1.00 0.00 C ATOM 1266 CD2 LEU A 84 -2.103 9.287 15.542 1.00 0.00 C ATOM 0 H LEU A 84 -5.089 10.364 12.885 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.048 12.998 13.672 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.358 12.331 14.983 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.620 11.234 15.509 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.414 9.785 13.500 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.008 9.896 13.908 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.626 11.412 13.226 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.238 11.310 14.960 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.440 8.450 15.321 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.782 9.770 16.465 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.123 8.921 15.660 1.00 0.00 H new ATOM 1278 N TRP A 85 -2.026 12.477 12.025 1.00 0.00 N ATOM 1279 CA TRP A 85 -1.269 12.455 10.785 1.00 0.00 C ATOM 1280 C TRP A 85 0.153 12.930 11.090 1.00 0.00 C ATOM 1281 O TRP A 85 0.349 14.039 11.584 1.00 0.00 O ATOM 1282 CB TRP A 85 -1.960 13.293 9.707 1.00 0.00 C ATOM 1283 CG TRP A 85 -1.456 14.735 9.620 1.00 0.00 C ATOM 1284 CD1 TRP A 85 -1.956 15.821 10.225 1.00 0.00 C ATOM 1285 CD2 TRP A 85 -0.325 15.206 8.857 1.00 0.00 C ATOM 1286 NE1 TRP A 85 -1.233 16.953 9.908 1.00 0.00 N ATOM 1287 CE2 TRP A 85 -0.210 16.567 9.050 1.00 0.00 C ATOM 1288 CE3 TRP A 85 0.571 14.505 8.031 1.00 0.00 C ATOM 1289 CZ2 TRP A 85 0.788 17.345 8.451 1.00 0.00 C ATOM 1290 CZ3 TRP A 85 1.563 15.296 7.440 1.00 0.00 C ATOM 1291 CH2 TRP A 85 1.692 16.668 7.624 1.00 0.00 C ATOM 0 H TRP A 85 -1.603 13.026 12.773 1.00 0.00 H new ATOM 0 HA TRP A 85 -1.219 11.444 10.382 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -1.818 12.811 8.740 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -3.032 13.305 9.903 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -2.816 15.812 10.878 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.416 17.899 10.242 1.00 0.00 H new ATOM 0 HE3 TRP A 85 0.500 13.440 7.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 0.857 18.410 8.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 2.278 14.806 6.796 1.00 0.00 H new ATOM 0 HH2 TRP A 85 2.486 17.209 7.131 1.00 0.00 H new ATOM 1302 N SER A 86 1.110 12.065 10.784 1.00 0.00 N ATOM 1303 CA SER A 86 2.508 12.382 11.019 1.00 0.00 C ATOM 1304 C SER A 86 3.254 12.477 9.687 1.00 0.00 C ATOM 1305 O SER A 86 2.864 11.847 8.706 1.00 0.00 O ATOM 1306 CB SER A 86 3.165 11.336 11.922 1.00 0.00 C ATOM 1307 OG SER A 86 3.051 11.675 13.302 1.00 0.00 O ATOM 0 H SER A 86 0.944 11.145 10.375 1.00 0.00 H new ATOM 0 HA SER A 86 2.560 13.345 11.526 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.702 10.365 11.748 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.218 11.239 11.658 1.00 0.00 H new ATOM 0 HG SER A 86 3.481 10.982 13.846 1.00 0.00 H new ATOM 1313 N LEU A 87 4.315 13.271 9.695 1.00 0.00 N ATOM 1314 CA LEU A 87 5.120 13.457 8.500 1.00 0.00 C ATOM 1315 C LEU A 87 6.538 12.944 8.759 1.00 0.00 C ATOM 1316 O LEU A 87 7.043 13.043 9.877 1.00 0.00 O ATOM 1317 CB LEU A 87 5.069 14.916 8.041 1.00 0.00 C ATOM 1318 CG LEU A 87 6.146 15.343 7.042 1.00 0.00 C ATOM 1319 CD1 LEU A 87 7.508 15.474 7.727 1.00 0.00 C ATOM 1320 CD2 LEU A 87 6.195 14.389 5.847 1.00 0.00 C ATOM 0 H LEU A 87 4.636 13.793 10.511 1.00 0.00 H new ATOM 0 HA LEU A 87 4.715 12.872 7.674 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.093 15.101 7.594 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.143 15.556 8.920 1.00 0.00 H new ATOM 0 HG LEU A 87 5.883 16.328 6.657 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.256 15.779 6.995 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.448 16.223 8.517 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.792 14.514 8.158 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.969 14.715 5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.421 13.381 6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.230 14.390 5.341 1.00 0.00 H new ATOM 1332 N GLU A 88 7.140 12.406 7.709 1.00 0.00 N ATOM 1333 CA GLU A 88 8.489 11.877 7.809 1.00 0.00 C ATOM 1334 C GLU A 88 9.379 12.481 6.721 1.00 0.00 C ATOM 1335 O GLU A 88 8.970 12.581 5.565 1.00 0.00 O ATOM 1336 CB GLU A 88 8.486 10.349 7.730 1.00 0.00 C ATOM 1337 CG GLU A 88 7.748 9.739 8.923 1.00 0.00 C ATOM 1338 CD GLU A 88 8.444 8.465 9.406 1.00 0.00 C ATOM 1339 OE1 GLU A 88 8.552 7.531 8.582 1.00 0.00 O ATOM 1340 OE2 GLU A 88 8.851 8.453 10.587 1.00 0.00 O ATOM 0 H GLU A 88 6.718 12.325 6.784 1.00 0.00 H new ATOM 0 HA GLU A 88 8.897 12.157 8.780 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.011 10.030 6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.512 9.981 7.705 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.703 10.463 9.736 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.720 9.511 8.641 1.00 0.00 H new ATOM 1347 N PRO A 89 10.610 12.878 7.139 1.00 0.00 N ATOM 1348 CA PRO A 89 11.561 13.469 6.213 1.00 0.00 C ATOM 1349 C PRO A 89 12.175 12.403 5.303 1.00 0.00 C ATOM 1350 O PRO A 89 12.801 11.459 5.782 1.00 0.00 O ATOM 1351 CB PRO A 89 12.588 14.163 7.093 1.00 0.00 C ATOM 1352 CG PRO A 89 12.437 13.547 8.474 1.00 0.00 C ATOM 1353 CD PRO A 89 11.128 12.774 8.500 1.00 0.00 C ATOM 0 HA PRO A 89 11.097 14.180 5.530 1.00 0.00 H new ATOM 0 HB2 PRO A 89 13.597 14.015 6.707 1.00 0.00 H new ATOM 0 HB3 PRO A 89 12.413 15.238 7.124 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.275 12.885 8.690 1.00 0.00 H new ATOM 0 HG3 PRO A 89 12.437 14.323 9.240 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.288 11.734 8.785 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.431 13.199 9.223 1.00 0.00 H new ATOM 1361 N GLY A 90 11.975 12.591 4.007 1.00 0.00 N ATOM 1362 CA GLY A 90 12.501 11.657 3.026 1.00 0.00 C ATOM 1363 C GLY A 90 11.993 10.239 3.291 1.00 0.00 C ATOM 1364 O GLY A 90 12.770 9.285 3.278 1.00 0.00 O ATOM 0 H GLY A 90 11.456 13.376 3.613 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.206 11.971 2.025 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.591 11.668 3.056 1.00 0.00 H new ATOM 1368 N LYS A 91 10.692 10.144 3.523 1.00 0.00 N ATOM 1369 CA LYS A 91 10.071 8.858 3.791 1.00 0.00 C ATOM 1370 C LYS A 91 8.664 8.842 3.191 1.00 0.00 C ATOM 1371 O LYS A 91 8.498 8.618 1.993 1.00 0.00 O ATOM 1372 CB LYS A 91 10.105 8.548 5.288 1.00 0.00 C ATOM 1373 CG LYS A 91 11.373 7.776 5.660 1.00 0.00 C ATOM 1374 CD LYS A 91 11.099 6.273 5.735 1.00 0.00 C ATOM 1375 CE LYS A 91 12.275 5.472 5.173 1.00 0.00 C ATOM 1376 NZ LYS A 91 12.651 4.383 6.101 1.00 0.00 N ATOM 0 H LYS A 91 10.051 10.937 3.531 1.00 0.00 H new ATOM 0 HA LYS A 91 10.632 8.056 3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.061 9.477 5.856 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.226 7.964 5.562 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.151 7.971 4.922 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.749 8.129 6.620 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.919 5.984 6.770 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.193 6.037 5.176 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.007 5.054 4.202 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.128 6.131 5.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.451 3.849 5.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.926 4.788 7.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.841 3.745 6.234 1.00 0.00 H new ATOM 1390 N CYS A 92 7.685 9.082 4.052 1.00 0.00 N ATOM 1391 CA CYS A 92 6.297 9.098 3.623 1.00 0.00 C ATOM 1392 C CYS A 92 5.467 9.791 4.705 1.00 0.00 C ATOM 1393 O CYS A 92 5.995 10.167 5.751 1.00 0.00 O ATOM 1394 CB CYS A 92 5.782 7.689 3.322 1.00 0.00 C ATOM 1395 SG CYS A 92 6.559 6.483 4.458 1.00 0.00 S ATOM 0 H CYS A 92 7.826 9.267 5.045 1.00 0.00 H new ATOM 0 HA CYS A 92 6.209 9.653 2.689 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.698 7.658 3.431 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.006 7.424 2.289 1.00 0.00 H new ATOM 0 HG CYS A 92 6.281 5.275 4.065 1.00 0.00 H new ATOM 1401 N VAL A 93 4.182 9.937 4.418 1.00 0.00 N ATOM 1402 CA VAL A 93 3.274 10.578 5.354 1.00 0.00 C ATOM 1403 C VAL A 93 2.379 9.517 5.996 1.00 0.00 C ATOM 1404 O VAL A 93 1.845 8.649 5.306 1.00 0.00 O ATOM 1405 CB VAL A 93 2.483 11.679 4.645 1.00 0.00 C ATOM 1406 CG1 VAL A 93 1.456 12.309 5.587 1.00 0.00 C ATOM 1407 CG2 VAL A 93 3.420 12.741 4.065 1.00 0.00 C ATOM 0 H VAL A 93 3.748 9.622 3.550 1.00 0.00 H new ATOM 0 HA VAL A 93 3.831 11.062 6.156 1.00 0.00 H new ATOM 0 HB VAL A 93 1.942 11.222 3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.907 13.089 5.058 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.759 11.544 5.930 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.968 12.744 6.445 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.832 13.512 3.567 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.002 13.192 4.869 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.095 12.277 3.345 1.00 0.00 H new ATOM 1417 N LEU A 94 2.241 9.621 7.310 1.00 0.00 N ATOM 1418 CA LEU A 94 1.419 8.681 8.053 1.00 0.00 C ATOM 1419 C LEU A 94 0.096 9.352 8.427 1.00 0.00 C ATOM 1420 O LEU A 94 0.088 10.447 8.987 1.00 0.00 O ATOM 1421 CB LEU A 94 2.189 8.128 9.253 1.00 0.00 C ATOM 1422 CG LEU A 94 1.560 6.924 9.957 1.00 0.00 C ATOM 1423 CD1 LEU A 94 0.128 7.232 10.396 1.00 0.00 C ATOM 1424 CD2 LEU A 94 1.634 5.675 9.076 1.00 0.00 C ATOM 0 H LEU A 94 2.685 10.342 7.879 1.00 0.00 H new ATOM 0 HA LEU A 94 1.175 7.817 7.435 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.188 7.848 8.920 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.309 8.929 9.983 1.00 0.00 H new ATOM 0 HG LEU A 94 2.135 6.717 10.859 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.296 6.360 10.894 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.132 8.076 11.085 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.475 7.480 9.522 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.180 4.833 9.599 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.098 5.855 8.144 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.677 5.446 8.856 1.00 0.00 H new ATOM 1436 N VAL A 95 -0.991 8.668 8.101 1.00 0.00 N ATOM 1437 CA VAL A 95 -2.317 9.184 8.396 1.00 0.00 C ATOM 1438 C VAL A 95 -3.141 8.096 9.088 1.00 0.00 C ATOM 1439 O VAL A 95 -3.588 7.148 8.445 1.00 0.00 O ATOM 1440 CB VAL A 95 -2.972 9.707 7.116 1.00 0.00 C ATOM 1441 CG1 VAL A 95 -4.370 10.260 7.402 1.00 0.00 C ATOM 1442 CG2 VAL A 95 -2.092 10.761 6.441 1.00 0.00 C ATOM 0 H VAL A 95 -0.980 7.761 7.635 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.254 10.029 9.081 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.078 8.869 6.427 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.813 10.625 6.476 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.996 9.470 7.817 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.298 11.079 8.117 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.581 11.116 5.534 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.939 11.598 7.122 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.128 10.321 6.185 1.00 0.00 H new ATOM 1452 N ASN A 96 -3.316 8.270 10.390 1.00 0.00 N ATOM 1453 CA ASN A 96 -4.078 7.314 11.176 1.00 0.00 C ATOM 1454 C ASN A 96 -5.552 7.727 11.183 1.00 0.00 C ATOM 1455 O ASN A 96 -5.887 8.838 11.591 1.00 0.00 O ATOM 1456 CB ASN A 96 -3.590 7.280 12.626 1.00 0.00 C ATOM 1457 CG ASN A 96 -2.140 6.798 12.705 1.00 0.00 C ATOM 1458 OD1 ASN A 96 -1.252 7.492 13.172 1.00 0.00 O ATOM 1459 ND2 ASN A 96 -1.950 5.573 12.222 1.00 0.00 N ATOM 0 H ASN A 96 -2.944 9.058 10.920 1.00 0.00 H new ATOM 0 HA ASN A 96 -3.948 6.329 10.728 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.671 8.275 13.064 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -4.229 6.620 13.213 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -1.017 5.161 12.229 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.738 5.046 11.845 1.00 0.00 H new ATOM 1466 N LEU A 97 -6.392 6.810 10.727 1.00 0.00 N ATOM 1467 CA LEU A 97 -7.822 7.064 10.676 1.00 0.00 C ATOM 1468 C LEU A 97 -8.519 6.250 11.768 1.00 0.00 C ATOM 1469 O LEU A 97 -8.355 5.034 11.841 1.00 0.00 O ATOM 1470 CB LEU A 97 -8.363 6.798 9.270 1.00 0.00 C ATOM 1471 CG LEU A 97 -7.888 7.756 8.176 1.00 0.00 C ATOM 1472 CD1 LEU A 97 -8.801 7.685 6.950 1.00 0.00 C ATOM 1473 CD2 LEU A 97 -7.760 9.183 8.713 1.00 0.00 C ATOM 0 H LEU A 97 -6.110 5.890 10.389 1.00 0.00 H new ATOM 0 HA LEU A 97 -8.030 8.114 10.879 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.087 5.784 8.982 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.452 6.833 9.309 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.894 7.442 7.856 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.441 8.376 6.188 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.797 6.670 6.552 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.817 7.958 7.236 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.421 9.843 7.915 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.729 9.523 9.078 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.039 9.201 9.530 1.00 0.00 H new ATOM 1485 N SER A 98 -9.284 6.955 12.589 1.00 0.00 N ATOM 1486 CA SER A 98 -10.007 6.314 13.674 1.00 0.00 C ATOM 1487 C SER A 98 -11.485 6.169 13.304 1.00 0.00 C ATOM 1488 O SER A 98 -12.230 7.148 13.313 1.00 0.00 O ATOM 1489 CB SER A 98 -9.861 7.103 14.976 1.00 0.00 C ATOM 1490 OG SER A 98 -8.746 6.662 15.745 1.00 0.00 O ATOM 0 H SER A 98 -9.419 7.964 12.524 1.00 0.00 H new ATOM 0 HA SER A 98 -9.579 5.324 13.832 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.747 8.163 14.747 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.772 7.001 15.566 1.00 0.00 H new ATOM 0 HG SER A 98 -8.686 7.191 16.567 1.00 0.00 H new ATOM 1496 N LYS A 99 -11.865 4.940 12.986 1.00 0.00 N ATOM 1497 CA LYS A 99 -13.240 4.655 12.614 1.00 0.00 C ATOM 1498 C LYS A 99 -14.166 5.026 13.774 1.00 0.00 C ATOM 1499 O LYS A 99 -13.811 4.844 14.938 1.00 0.00 O ATOM 1500 CB LYS A 99 -13.381 3.202 12.155 1.00 0.00 C ATOM 1501 CG LYS A 99 -12.498 2.924 10.936 1.00 0.00 C ATOM 1502 CD LYS A 99 -12.116 1.444 10.863 1.00 0.00 C ATOM 1503 CE LYS A 99 -12.003 0.979 9.410 1.00 0.00 C ATOM 1504 NZ LYS A 99 -10.896 0.007 9.261 1.00 0.00 N ATOM 0 H LYS A 99 -11.244 4.131 12.978 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.537 5.265 11.761 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.105 2.531 12.969 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.422 2.994 11.909 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.025 3.213 10.027 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.596 3.534 10.989 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.167 1.284 11.375 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -12.864 0.845 11.383 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.941 0.522 9.094 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.832 1.837 8.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.586 -0.017 8.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.099 0.293 9.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.224 -0.938 9.544 1.00 0.00 H new ATOM 1518 N VAL A 100 -15.334 5.539 13.417 1.00 0.00 N ATOM 1519 CA VAL A 100 -16.313 5.936 14.414 1.00 0.00 C ATOM 1520 C VAL A 100 -17.227 4.750 14.727 1.00 0.00 C ATOM 1521 O VAL A 100 -18.445 4.902 14.798 1.00 0.00 O ATOM 1522 CB VAL A 100 -17.079 7.170 13.932 1.00 0.00 C ATOM 1523 CG1 VAL A 100 -16.133 8.354 13.718 1.00 0.00 C ATOM 1524 CG2 VAL A 100 -17.869 6.862 12.659 1.00 0.00 C ATOM 0 H VAL A 100 -15.624 5.689 12.451 1.00 0.00 H new ATOM 0 HA VAL A 100 -15.818 6.219 15.343 1.00 0.00 H new ATOM 0 HB VAL A 100 -17.791 7.447 14.709 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -16.703 9.218 13.376 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -15.635 8.597 14.657 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -15.386 8.092 12.969 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -18.404 7.756 12.338 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -17.183 6.547 11.872 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -18.583 6.063 12.858 1.00 0.00 H new ATOM 1534 N GLY A 101 -16.603 3.595 14.906 1.00 0.00 N ATOM 1535 CA GLY A 101 -17.345 2.383 15.209 1.00 0.00 C ATOM 1536 C GLY A 101 -16.816 1.198 14.399 1.00 0.00 C ATOM 1537 O GLY A 101 -15.976 1.371 13.517 1.00 0.00 O ATOM 0 H GLY A 101 -15.592 3.473 14.847 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -17.269 2.163 16.274 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -18.402 2.535 14.989 1.00 0.00 H new ATOM 1541 N GLU A 102 -17.329 0.021 14.727 1.00 0.00 N ATOM 1542 CA GLU A 102 -16.918 -1.192 14.041 1.00 0.00 C ATOM 1543 C GLU A 102 -17.441 -1.191 12.603 1.00 0.00 C ATOM 1544 O GLU A 102 -18.571 -1.604 12.349 1.00 0.00 O ATOM 1545 CB GLU A 102 -17.391 -2.436 14.796 1.00 0.00 C ATOM 1546 CG GLU A 102 -16.346 -2.887 15.818 1.00 0.00 C ATOM 1547 CD GLU A 102 -16.938 -3.908 16.793 1.00 0.00 C ATOM 1548 OE1 GLU A 102 -17.714 -3.471 17.670 1.00 0.00 O ATOM 1549 OE2 GLU A 102 -16.600 -5.101 16.638 1.00 0.00 O ATOM 0 H GLU A 102 -18.026 -0.118 15.459 1.00 0.00 H new ATOM 0 HA GLU A 102 -15.829 -1.218 14.011 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -18.332 -2.222 15.303 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -17.586 -3.243 14.089 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -15.492 -3.325 15.301 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.976 -2.023 16.370 1.00 0.00 H new ATOM 1556 N TYR A 103 -16.593 -0.722 11.699 1.00 0.00 N ATOM 1557 CA TYR A 103 -16.955 -0.661 10.293 1.00 0.00 C ATOM 1558 C TYR A 103 -15.878 -1.310 9.421 1.00 0.00 C ATOM 1559 O TYR A 103 -14.718 -1.397 9.822 1.00 0.00 O ATOM 1560 CB TYR A 103 -17.049 0.825 9.945 1.00 0.00 C ATOM 1561 CG TYR A 103 -18.401 1.459 10.278 1.00 0.00 C ATOM 1562 CD1 TYR A 103 -19.420 1.439 9.348 1.00 0.00 C ATOM 1563 CD2 TYR A 103 -18.602 2.049 11.510 1.00 0.00 C ATOM 1564 CE1 TYR A 103 -20.693 2.035 9.661 1.00 0.00 C ATOM 1565 CE2 TYR A 103 -19.875 2.645 11.823 1.00 0.00 C ATOM 1566 CZ TYR A 103 -20.858 2.609 10.884 1.00 0.00 C ATOM 1567 OH TYR A 103 -22.060 3.171 11.180 1.00 0.00 O ATOM 0 H TYR A 103 -15.656 -0.381 11.913 1.00 0.00 H new ATOM 0 HA TYR A 103 -17.890 -1.192 10.115 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -16.266 1.363 10.479 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -16.853 0.951 8.880 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -19.263 0.976 8.385 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -17.805 2.064 12.239 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -21.498 2.027 8.942 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -20.045 3.110 12.783 1.00 0.00 H new ATOM 0 HH TYR A 103 -22.034 3.541 12.087 1.00 0.00 H new ATOM 1577 N TRP A 104 -16.300 -1.750 8.245 1.00 0.00 N ATOM 1578 CA TRP A 104 -15.386 -2.389 7.313 1.00 0.00 C ATOM 1579 C TRP A 104 -15.169 -1.436 6.136 1.00 0.00 C ATOM 1580 O TRP A 104 -16.065 -1.244 5.314 1.00 0.00 O ATOM 1581 CB TRP A 104 -15.911 -3.760 6.883 1.00 0.00 C ATOM 1582 CG TRP A 104 -17.102 -3.698 5.924 1.00 0.00 C ATOM 1583 CD1 TRP A 104 -17.105 -3.897 4.599 1.00 0.00 C ATOM 1584 CD2 TRP A 104 -18.472 -3.409 6.272 1.00 0.00 C ATOM 1585 NE1 TRP A 104 -18.371 -3.757 4.069 1.00 0.00 N ATOM 1586 CE2 TRP A 104 -19.229 -3.451 5.119 1.00 0.00 C ATOM 1587 CE3 TRP A 104 -19.053 -3.121 7.520 1.00 0.00 C ATOM 1588 CZ2 TRP A 104 -20.609 -3.215 5.099 1.00 0.00 C ATOM 1589 CZ3 TRP A 104 -20.432 -2.888 7.483 1.00 0.00 C ATOM 1590 CH2 TRP A 104 -21.209 -2.927 6.331 1.00 0.00 C ATOM 0 H TRP A 104 -17.263 -1.677 7.916 1.00 0.00 H new ATOM 0 HA TRP A 104 -14.424 -2.582 7.787 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -15.102 -4.314 6.406 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -16.202 -4.321 7.771 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -16.226 -4.137 4.019 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -18.630 -3.859 3.088 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -18.480 -3.083 8.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -21.180 -3.253 4.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -20.928 -2.662 8.415 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -22.271 -2.736 6.386 1.00 0.00 H new ATOM 1601 N TRP A 105 -13.975 -0.863 6.092 1.00 0.00 N ATOM 1602 CA TRP A 105 -13.629 0.065 5.029 1.00 0.00 C ATOM 1603 C TRP A 105 -13.137 -0.750 3.831 1.00 0.00 C ATOM 1604 O TRP A 105 -11.947 -1.037 3.718 1.00 0.00 O ATOM 1605 CB TRP A 105 -12.607 1.095 5.512 1.00 0.00 C ATOM 1606 CG TRP A 105 -13.219 2.267 6.282 1.00 0.00 C ATOM 1607 CD1 TRP A 105 -14.064 2.219 7.322 1.00 0.00 C ATOM 1608 CD2 TRP A 105 -12.999 3.670 6.031 1.00 0.00 C ATOM 1609 NE1 TRP A 105 -14.403 3.484 7.756 1.00 0.00 N ATOM 1610 CE2 TRP A 105 -13.734 4.395 6.947 1.00 0.00 C ATOM 1611 CE3 TRP A 105 -12.204 4.307 5.061 1.00 0.00 C ATOM 1612 CZ2 TRP A 105 -13.749 5.794 6.984 1.00 0.00 C ATOM 1613 CZ3 TRP A 105 -12.229 5.706 5.112 1.00 0.00 C ATOM 1614 CH2 TRP A 105 -12.964 6.450 6.027 1.00 0.00 C ATOM 0 H TRP A 105 -13.235 -1.024 6.776 1.00 0.00 H new ATOM 0 HA TRP A 105 -14.501 0.643 4.722 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -11.878 0.596 6.150 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -12.064 1.484 4.651 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -14.433 1.305 7.764 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -15.030 3.709 8.529 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -11.621 3.760 4.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -14.334 6.338 7.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -11.635 6.245 4.389 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -12.930 7.529 6.000 1.00 0.00 H new ATOM 1625 N ASN A 106 -14.079 -1.099 2.967 1.00 0.00 N ATOM 1626 CA ASN A 106 -13.755 -1.875 1.781 1.00 0.00 C ATOM 1627 C ASN A 106 -12.789 -1.078 0.903 1.00 0.00 C ATOM 1628 O ASN A 106 -12.171 -1.631 -0.006 1.00 0.00 O ATOM 1629 CB ASN A 106 -15.010 -2.170 0.957 1.00 0.00 C ATOM 1630 CG ASN A 106 -15.789 -0.886 0.665 1.00 0.00 C ATOM 1631 OD1 ASN A 106 -15.400 -0.065 -0.149 1.00 0.00 O ATOM 1632 ND2 ASN A 106 -16.908 -0.759 1.373 1.00 0.00 N ATOM 0 H ASN A 106 -15.066 -0.859 3.064 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.307 -2.814 2.104 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -14.729 -2.650 0.020 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -15.647 -2.871 1.496 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -17.498 0.064 1.250 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -17.176 -1.484 2.038 1.00 0.00 H new ATOM 1639 N ALA A 107 -12.689 0.208 1.205 1.00 0.00 N ATOM 1640 CA ALA A 107 -11.809 1.087 0.454 1.00 0.00 C ATOM 1641 C ALA A 107 -11.696 2.430 1.178 1.00 0.00 C ATOM 1642 O ALA A 107 -12.513 2.742 2.044 1.00 0.00 O ATOM 1643 CB ALA A 107 -12.335 1.238 -0.975 1.00 0.00 C ATOM 0 H ALA A 107 -13.203 0.663 1.960 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.807 0.662 0.390 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -11.675 1.897 -1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.368 0.260 -1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.338 1.664 -0.950 1.00 0.00 H new ATOM 1649 N ILE A 108 -10.678 3.187 0.798 1.00 0.00 N ATOM 1650 CA ILE A 108 -10.448 4.489 1.401 1.00 0.00 C ATOM 1651 C ILE A 108 -11.385 5.516 0.760 1.00 0.00 C ATOM 1652 O ILE A 108 -12.205 6.125 1.444 1.00 0.00 O ATOM 1653 CB ILE A 108 -8.968 4.867 1.312 1.00 0.00 C ATOM 1654 CG1 ILE A 108 -8.094 3.827 2.014 1.00 0.00 C ATOM 1655 CG2 ILE A 108 -8.729 6.278 1.855 1.00 0.00 C ATOM 1656 CD1 ILE A 108 -8.132 4.013 3.532 1.00 0.00 C ATOM 0 H ILE A 108 -10.003 2.924 0.080 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.683 4.463 2.465 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.679 4.873 0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.438 2.825 1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.067 3.911 1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.669 6.522 1.780 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.308 6.995 1.273 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.039 6.323 2.899 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.502 3.261 4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.764 5.007 3.786 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.157 3.904 3.886 1.00 0.00 H new ATOM 1668 N LEU A 109 -11.230 5.676 -0.546 1.00 0.00 N ATOM 1669 CA LEU A 109 -12.052 6.618 -1.287 1.00 0.00 C ATOM 1670 C LEU A 109 -13.160 5.857 -2.017 1.00 0.00 C ATOM 1671 O LEU A 109 -13.124 4.631 -2.102 1.00 0.00 O ATOM 1672 CB LEU A 109 -11.183 7.476 -2.210 1.00 0.00 C ATOM 1673 CG LEU A 109 -10.003 8.189 -1.548 1.00 0.00 C ATOM 1674 CD1 LEU A 109 -9.226 9.026 -2.567 1.00 0.00 C ATOM 1675 CD2 LEU A 109 -10.467 9.025 -0.354 1.00 0.00 C ATOM 0 H LEU A 109 -10.548 5.169 -1.110 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.540 7.316 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.797 6.841 -3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.818 8.227 -2.680 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.319 7.432 -1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.392 9.522 -2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -8.844 8.377 -3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.887 9.775 -3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.608 9.521 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.183 9.774 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -10.940 8.376 0.383 1.00 0.00 H new ATOM 1687 N GLU A 110 -14.119 6.617 -2.527 1.00 0.00 N ATOM 1688 CA GLU A 110 -15.236 6.029 -3.247 1.00 0.00 C ATOM 1689 C GLU A 110 -14.793 5.588 -4.643 1.00 0.00 C ATOM 1690 O GLU A 110 -13.865 6.159 -5.214 1.00 0.00 O ATOM 1691 CB GLU A 110 -16.410 7.006 -3.328 1.00 0.00 C ATOM 1692 CG GLU A 110 -17.132 7.108 -1.983 1.00 0.00 C ATOM 1693 CD GLU A 110 -18.459 7.856 -2.128 1.00 0.00 C ATOM 1694 OE1 GLU A 110 -19.066 7.730 -3.213 1.00 0.00 O ATOM 1695 OE2 GLU A 110 -18.837 8.536 -1.150 1.00 0.00 O ATOM 0 H GLU A 110 -14.145 7.634 -2.456 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.575 5.150 -2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -16.049 7.990 -3.626 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -17.110 6.677 -4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -17.315 6.109 -1.588 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -16.496 7.624 -1.263 1.00 0.00 H new ATOM 1702 N GLY A 111 -15.477 4.574 -5.153 1.00 0.00 N ATOM 1703 CA GLY A 111 -15.166 4.049 -6.472 1.00 0.00 C ATOM 1704 C GLY A 111 -14.090 2.965 -6.390 1.00 0.00 C ATOM 1705 O GLY A 111 -14.255 1.878 -6.943 1.00 0.00 O ATOM 0 H GLY A 111 -16.245 4.102 -4.677 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -16.068 3.638 -6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -14.824 4.858 -7.118 1.00 0.00 H new ATOM 1709 N GLU A 112 -13.011 3.298 -5.696 1.00 0.00 N ATOM 1710 CA GLU A 112 -11.908 2.366 -5.536 1.00 0.00 C ATOM 1711 C GLU A 112 -12.438 0.945 -5.339 1.00 0.00 C ATOM 1712 O GLU A 112 -13.119 0.663 -4.354 1.00 0.00 O ATOM 1713 CB GLU A 112 -11.005 2.781 -4.372 1.00 0.00 C ATOM 1714 CG GLU A 112 -9.603 2.190 -4.528 1.00 0.00 C ATOM 1715 CD GLU A 112 -8.622 3.239 -5.058 1.00 0.00 C ATOM 1716 OE1 GLU A 112 -8.722 3.551 -6.264 1.00 0.00 O ATOM 1717 OE2 GLU A 112 -7.795 3.704 -4.245 1.00 0.00 O ATOM 0 H GLU A 112 -12.878 4.200 -5.239 1.00 0.00 H new ATOM 0 HA GLU A 112 -11.306 2.385 -6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -10.942 3.868 -4.326 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.442 2.447 -3.431 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.254 1.813 -3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -9.636 1.340 -5.210 1.00 0.00 H new ATOM 1724 N GLU A 113 -12.105 0.086 -6.291 1.00 0.00 N ATOM 1725 CA GLU A 113 -12.539 -1.300 -6.235 1.00 0.00 C ATOM 1726 C GLU A 113 -12.476 -1.817 -4.796 1.00 0.00 C ATOM 1727 O GLU A 113 -11.595 -1.429 -4.031 1.00 0.00 O ATOM 1728 CB GLU A 113 -11.701 -2.175 -7.169 1.00 0.00 C ATOM 1729 CG GLU A 113 -11.946 -1.806 -8.633 1.00 0.00 C ATOM 1730 CD GLU A 113 -10.912 -2.467 -9.546 1.00 0.00 C ATOM 1731 OE1 GLU A 113 -9.741 -2.033 -9.485 1.00 0.00 O ATOM 1732 OE2 GLU A 113 -11.316 -3.391 -10.285 1.00 0.00 O ATOM 0 H GLU A 113 -11.539 0.323 -7.106 1.00 0.00 H new ATOM 0 HA GLU A 113 -13.574 -1.351 -6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.644 -2.057 -6.933 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.948 -3.224 -7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.948 -2.118 -8.927 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -11.901 -0.723 -8.751 1.00 0.00 H new ATOM 1739 N PRO A 114 -13.448 -2.708 -4.463 1.00 0.00 N ATOM 1740 CA PRO A 114 -13.512 -3.283 -3.130 1.00 0.00 C ATOM 1741 C PRO A 114 -12.426 -4.343 -2.938 1.00 0.00 C ATOM 1742 O PRO A 114 -12.281 -5.246 -3.761 1.00 0.00 O ATOM 1743 CB PRO A 114 -14.919 -3.846 -3.012 1.00 0.00 C ATOM 1744 CG PRO A 114 -15.436 -3.980 -4.435 1.00 0.00 C ATOM 1745 CD PRO A 114 -14.508 -3.191 -5.344 1.00 0.00 C ATOM 0 HA PRO A 114 -13.324 -2.550 -2.346 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -14.912 -4.812 -2.507 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -15.556 -3.184 -2.426 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -15.463 -5.028 -4.734 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -16.455 -3.601 -4.508 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -14.106 -3.818 -6.140 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -15.032 -2.364 -5.823 1.00 0.00 H new ATOM 1753 N ILE A 115 -11.690 -4.198 -1.845 1.00 0.00 N ATOM 1754 CA ILE A 115 -10.621 -5.132 -1.534 1.00 0.00 C ATOM 1755 C ILE A 115 -11.164 -6.561 -1.597 1.00 0.00 C ATOM 1756 O ILE A 115 -12.341 -6.770 -1.886 1.00 0.00 O ATOM 1757 CB ILE A 115 -9.974 -4.778 -0.193 1.00 0.00 C ATOM 1758 CG1 ILE A 115 -11.012 -4.770 0.931 1.00 0.00 C ATOM 1759 CG2 ILE A 115 -9.216 -3.453 -0.284 1.00 0.00 C ATOM 1760 CD1 ILE A 115 -10.353 -4.486 2.283 1.00 0.00 C ATOM 0 H ILE A 115 -11.813 -3.448 -1.164 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.825 -5.060 -2.275 1.00 0.00 H new ATOM 0 HB ILE A 115 -9.244 -5.550 0.049 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -11.770 -4.014 0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -11.523 -5.732 0.966 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -8.766 -3.224 0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -8.434 -3.532 -1.039 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -9.907 -2.657 -0.560 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -11.112 -4.486 3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -9.613 -5.257 2.496 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.864 -3.512 2.252 1.00 0.00 H new ATOM 1772 N ASP A 116 -10.280 -7.509 -1.320 1.00 0.00 N ATOM 1773 CA ASP A 116 -10.656 -8.912 -1.342 1.00 0.00 C ATOM 1774 C ASP A 116 -12.007 -9.084 -0.646 1.00 0.00 C ATOM 1775 O ASP A 116 -12.973 -9.535 -1.260 1.00 0.00 O ATOM 1776 CB ASP A 116 -9.628 -9.769 -0.599 1.00 0.00 C ATOM 1777 CG ASP A 116 -8.189 -9.632 -1.099 1.00 0.00 C ATOM 1778 OD1 ASP A 116 -7.738 -8.472 -1.218 1.00 0.00 O ATOM 1779 OD2 ASP A 116 -7.573 -10.689 -1.351 1.00 0.00 O ATOM 0 H ASP A 116 -9.305 -7.333 -1.079 1.00 0.00 H new ATOM 0 HA ASP A 116 -10.707 -9.232 -2.383 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -9.656 -9.507 0.459 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -9.925 -10.815 -0.676 1.00 0.00 H new ATOM 1784 N ILE A 117 -12.032 -8.717 0.627 1.00 0.00 N ATOM 1785 CA ILE A 117 -13.249 -8.825 1.413 1.00 0.00 C ATOM 1786 C ILE A 117 -14.139 -7.611 1.139 1.00 0.00 C ATOM 1787 O ILE A 117 -13.639 -6.519 0.870 1.00 0.00 O ATOM 1788 CB ILE A 117 -12.915 -9.020 2.894 1.00 0.00 C ATOM 1789 CG1 ILE A 117 -12.211 -10.358 3.125 1.00 0.00 C ATOM 1790 CG2 ILE A 117 -14.166 -8.874 3.762 1.00 0.00 C ATOM 1791 CD1 ILE A 117 -12.071 -10.653 4.620 1.00 0.00 C ATOM 0 H ILE A 117 -11.229 -8.345 1.133 1.00 0.00 H new ATOM 0 HA ILE A 117 -13.815 -9.709 1.118 1.00 0.00 H new ATOM 0 HB ILE A 117 -12.221 -8.235 3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -12.775 -11.157 2.644 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -11.225 -10.339 2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -13.901 -9.017 4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -14.588 -7.878 3.627 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -14.902 -9.623 3.468 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -11.567 -11.610 4.756 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -11.486 -9.864 5.093 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -13.060 -10.695 5.077 1.00 0.00 H new ATOM 1803 N ASP A 118 -15.441 -7.842 1.216 1.00 0.00 N ATOM 1804 CA ASP A 118 -16.404 -6.780 0.978 1.00 0.00 C ATOM 1805 C ASP A 118 -17.820 -7.352 1.071 1.00 0.00 C ATOM 1806 O ASP A 118 -18.002 -8.569 1.092 1.00 0.00 O ATOM 1807 CB ASP A 118 -16.228 -6.178 -0.417 1.00 0.00 C ATOM 1808 CG ASP A 118 -17.227 -5.076 -0.777 1.00 0.00 C ATOM 1809 OD1 ASP A 118 -17.584 -4.311 0.145 1.00 0.00 O ATOM 1810 OD2 ASP A 118 -17.612 -5.025 -1.965 1.00 0.00 O ATOM 0 H ASP A 118 -15.852 -8.748 1.440 1.00 0.00 H new ATOM 0 HA ASP A 118 -16.243 -6.005 1.727 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -15.219 -5.773 -0.497 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -16.310 -6.977 -1.154 1.00 0.00 H new ATOM 1815 N SER A 119 -18.787 -6.448 1.124 1.00 0.00 N ATOM 1816 CA SER A 119 -20.181 -6.848 1.214 1.00 0.00 C ATOM 1817 C SER A 119 -20.552 -7.726 0.018 1.00 0.00 C ATOM 1818 O SER A 119 -20.984 -8.865 0.190 1.00 0.00 O ATOM 1819 CB SER A 119 -21.101 -5.627 1.282 1.00 0.00 C ATOM 1820 OG SER A 119 -21.046 -4.851 0.088 1.00 0.00 O ATOM 0 H SER A 119 -18.633 -5.440 1.106 1.00 0.00 H new ATOM 0 HA SER A 119 -20.314 -7.421 2.132 1.00 0.00 H new ATOM 0 HB2 SER A 119 -22.126 -5.955 1.455 1.00 0.00 H new ATOM 0 HB3 SER A 119 -20.817 -5.006 2.132 1.00 0.00 H new ATOM 0 HG SER A 119 -21.648 -4.082 0.170 1.00 0.00 H new ATOM 1826 N GLY A 120 -20.370 -7.164 -1.168 1.00 0.00 N ATOM 1827 CA GLY A 120 -20.680 -7.881 -2.392 1.00 0.00 C ATOM 1828 C GLY A 120 -22.188 -7.897 -2.652 1.00 0.00 C ATOM 1829 O GLY A 120 -22.904 -6.989 -2.231 1.00 0.00 O ATOM 0 H GLY A 120 -20.011 -6.219 -1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -20.168 -7.412 -3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -20.309 -8.903 -2.323 1.00 0.00 H new ATOM 1833 N PRO A 121 -22.638 -8.965 -3.363 1.00 0.00 N ATOM 1834 CA PRO A 121 -24.047 -9.111 -3.684 1.00 0.00 C ATOM 1835 C PRO A 121 -24.847 -9.548 -2.456 1.00 0.00 C ATOM 1836 O PRO A 121 -25.297 -10.690 -2.378 1.00 0.00 O ATOM 1837 CB PRO A 121 -24.091 -10.127 -4.814 1.00 0.00 C ATOM 1838 CG PRO A 121 -22.758 -10.856 -4.770 1.00 0.00 C ATOM 1839 CD PRO A 121 -21.820 -10.059 -3.879 1.00 0.00 C ATOM 0 HA PRO A 121 -24.507 -8.172 -3.993 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -24.921 -10.822 -4.683 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -24.236 -9.635 -5.776 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -22.888 -11.866 -4.381 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -22.342 -10.952 -5.773 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -21.425 -10.674 -3.070 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -20.965 -9.683 -4.441 1.00 0.00 H new ATOM 1847 N SER A 122 -25.000 -8.616 -1.526 1.00 0.00 N ATOM 1848 CA SER A 122 -25.738 -8.891 -0.305 1.00 0.00 C ATOM 1849 C SER A 122 -27.021 -8.059 -0.270 1.00 0.00 C ATOM 1850 O SER A 122 -28.117 -8.607 -0.162 1.00 0.00 O ATOM 1851 CB SER A 122 -24.884 -8.602 0.931 1.00 0.00 C ATOM 1852 OG SER A 122 -25.074 -9.578 1.952 1.00 0.00 O ATOM 0 H SER A 122 -24.625 -7.670 -1.594 1.00 0.00 H new ATOM 0 HA SER A 122 -25.999 -9.949 -0.294 1.00 0.00 H new ATOM 0 HB2 SER A 122 -23.832 -8.575 0.647 1.00 0.00 H new ATOM 0 HB3 SER A 122 -25.134 -7.616 1.322 1.00 0.00 H new ATOM 0 HG SER A 122 -24.510 -9.359 2.723 1.00 0.00 H new ATOM 1858 N SER A 123 -26.842 -6.750 -0.364 1.00 0.00 N ATOM 1859 CA SER A 123 -27.972 -5.837 -0.345 1.00 0.00 C ATOM 1860 C SER A 123 -27.589 -4.515 -1.013 1.00 0.00 C ATOM 1861 O SER A 123 -26.974 -3.654 -0.387 1.00 0.00 O ATOM 1862 CB SER A 123 -28.455 -5.588 1.085 1.00 0.00 C ATOM 1863 OG SER A 123 -27.384 -5.238 1.957 1.00 0.00 O ATOM 0 H SER A 123 -25.931 -6.300 -0.454 1.00 0.00 H new ATOM 0 HA SER A 123 -28.790 -6.294 -0.902 1.00 0.00 H new ATOM 0 HB2 SER A 123 -29.197 -4.789 1.083 1.00 0.00 H new ATOM 0 HB3 SER A 123 -28.951 -6.483 1.461 1.00 0.00 H new ATOM 0 HG SER A 123 -26.815 -4.568 1.523 1.00 0.00 H new ATOM 1869 N GLY A 124 -27.968 -4.396 -2.277 1.00 0.00 N ATOM 1870 CA GLY A 124 -27.672 -3.194 -3.037 1.00 0.00 C ATOM 1871 C GLY A 124 -27.194 -3.541 -4.449 1.00 0.00 C ATOM 1872 O GLY A 124 -27.027 -4.714 -4.780 1.00 0.00 O ATOM 0 H GLY A 124 -28.478 -5.113 -2.794 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -28.562 -2.567 -3.094 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -26.906 -2.614 -2.522 1.00 0.00 H new TER 1876 GLY A 124