USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 704 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 57 HIS : no HD1:sc= -0.073 K(o=-12,f=-20!) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -12.7! C(o=-12!,f=-13!) USER MOD Set 1.3: A 85 SER OG : rot -87:sc= 1.17 USER MOD Set 2.1: A 31 THR OG1 : rot -160:sc= 0.0236 USER MOD Set 2.2: A 34 HIS : no HD1:sc= 0 X(o=0.024,f=0.024) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0395 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 10 HIS : no HE2:sc= -0.14 X(o=-0.14,f=-0.31) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -85:sc= 0.227 USER MOD Single : A 21 CYS SG : rot 28:sc= 0.49 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 58:sc= -0.678 USER MOD Single : A 38 MET CE :methyl -156:sc= -3.78 (180deg=-4.44!) USER MOD Single : A 41 GLN : amide:sc= -0.0666 X(o=-0.067,f=-0.068) USER MOD Single : A 44 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.0075) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot -90:sc= -2.14 USER MOD Single : A 69 HIS : no HD1:sc= -0.658 K(o=-0.66,f=-0.12) USER MOD Single : A 71 SER OG : rot -47:sc= 0.00177 USER MOD Single : A 76 GLN : amide:sc= -1.25 K(o=-1.3,f=-4.1!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.3!) USER MOD Single : A 95 SER OG : rot 28:sc= 0.00559 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.126 -11.629 -0.020 1.00 0.00 N ATOM 2 CA GLY A 1 -18.807 -11.899 -0.567 1.00 0.00 C ATOM 3 C GLY A 1 -18.053 -10.597 -0.847 1.00 0.00 C ATOM 4 O GLY A 1 -18.089 -10.082 -1.963 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.617 -12.528 0.161 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.031 -11.101 0.871 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.675 -11.065 -0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.237 -12.510 0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.902 -12.474 -1.488 1.00 0.00 H new ATOM 8 N SER A 2 -17.387 -10.103 0.186 1.00 0.00 N ATOM 9 CA SER A 2 -16.626 -8.871 0.066 1.00 0.00 C ATOM 10 C SER A 2 -15.238 -9.051 0.685 1.00 0.00 C ATOM 11 O SER A 2 -14.226 -8.873 0.010 1.00 0.00 O ATOM 12 CB SER A 2 -17.357 -7.704 0.732 1.00 0.00 C ATOM 13 OG SER A 2 -17.168 -6.481 0.024 1.00 0.00 O ATOM 0 H SER A 2 -17.358 -10.534 1.110 1.00 0.00 H new ATOM 0 HA SER A 2 -16.517 -8.638 -0.993 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.422 -7.929 0.789 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.000 -7.589 1.755 1.00 0.00 H new ATOM 0 HG SER A 2 -17.652 -5.761 0.480 1.00 0.00 H new ATOM 19 N SER A 3 -15.236 -9.401 1.963 1.00 0.00 N ATOM 20 CA SER A 3 -13.990 -9.607 2.680 1.00 0.00 C ATOM 21 C SER A 3 -13.942 -11.026 3.250 1.00 0.00 C ATOM 22 O SER A 3 -13.032 -11.793 2.939 1.00 0.00 O ATOM 23 CB SER A 3 -13.824 -8.579 3.802 1.00 0.00 C ATOM 24 OG SER A 3 -14.972 -8.517 4.643 1.00 0.00 O ATOM 0 H SER A 3 -16.078 -9.547 2.520 1.00 0.00 H new ATOM 0 HA SER A 3 -13.166 -9.476 1.978 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.949 -8.834 4.401 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.638 -7.596 3.369 1.00 0.00 H new ATOM 0 HG SER A 3 -14.826 -7.851 5.347 1.00 0.00 H new ATOM 30 N GLY A 4 -14.933 -11.333 4.074 1.00 0.00 N ATOM 31 CA GLY A 4 -15.016 -12.646 4.689 1.00 0.00 C ATOM 32 C GLY A 4 -14.036 -12.766 5.859 1.00 0.00 C ATOM 33 O GLY A 4 -12.977 -12.142 5.852 1.00 0.00 O ATOM 0 H GLY A 4 -15.686 -10.694 4.330 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.032 -12.823 5.041 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.798 -13.414 3.947 1.00 0.00 H new ATOM 37 N SER A 5 -14.426 -13.573 6.835 1.00 0.00 N ATOM 38 CA SER A 5 -13.596 -13.783 8.008 1.00 0.00 C ATOM 39 C SER A 5 -12.424 -14.703 7.663 1.00 0.00 C ATOM 40 O SER A 5 -11.264 -14.314 7.795 1.00 0.00 O ATOM 41 CB SER A 5 -14.411 -14.371 9.162 1.00 0.00 C ATOM 42 OG SER A 5 -13.641 -14.487 10.355 1.00 0.00 O ATOM 0 H SER A 5 -15.306 -14.089 6.837 1.00 0.00 H new ATOM 0 HA SER A 5 -13.208 -12.816 8.329 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.279 -13.740 9.351 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.787 -15.353 8.876 1.00 0.00 H new ATOM 0 HG SER A 5 -14.197 -14.864 11.068 1.00 0.00 H new ATOM 48 N SER A 6 -12.766 -15.906 7.226 1.00 0.00 N ATOM 49 CA SER A 6 -11.757 -16.885 6.860 1.00 0.00 C ATOM 50 C SER A 6 -11.941 -17.307 5.401 1.00 0.00 C ATOM 51 O SER A 6 -12.574 -18.323 5.120 1.00 0.00 O ATOM 52 CB SER A 6 -11.818 -18.108 7.778 1.00 0.00 C ATOM 53 OG SER A 6 -10.561 -18.377 8.394 1.00 0.00 O ATOM 0 H SER A 6 -13.729 -16.225 7.117 1.00 0.00 H new ATOM 0 HA SER A 6 -10.776 -16.425 6.977 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.572 -17.946 8.548 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.133 -18.978 7.202 1.00 0.00 H new ATOM 0 HG SER A 6 -10.642 -19.164 8.973 1.00 0.00 H new ATOM 59 N GLY A 7 -11.377 -16.504 4.511 1.00 0.00 N ATOM 60 CA GLY A 7 -11.471 -16.781 3.088 1.00 0.00 C ATOM 61 C GLY A 7 -10.133 -16.529 2.390 1.00 0.00 C ATOM 62 O GLY A 7 -9.183 -17.291 2.566 1.00 0.00 O ATOM 0 H GLY A 7 -10.853 -15.661 4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.776 -17.816 2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.242 -16.153 2.642 1.00 0.00 H new ATOM 66 N ARG A 8 -10.099 -15.456 1.614 1.00 0.00 N ATOM 67 CA ARG A 8 -8.893 -15.093 0.889 1.00 0.00 C ATOM 68 C ARG A 8 -8.235 -13.870 1.532 1.00 0.00 C ATOM 69 O ARG A 8 -8.893 -13.104 2.234 1.00 0.00 O ATOM 70 CB ARG A 8 -9.203 -14.785 -0.577 1.00 0.00 C ATOM 71 CG ARG A 8 -8.555 -15.817 -1.503 1.00 0.00 C ATOM 72 CD ARG A 8 -8.140 -15.178 -2.830 1.00 0.00 C ATOM 73 NE ARG A 8 -6.923 -15.839 -3.351 1.00 0.00 N ATOM 74 CZ ARG A 8 -6.524 -15.780 -4.629 1.00 0.00 C ATOM 75 NH1 ARG A 8 -7.244 -15.090 -5.524 1.00 0.00 N ATOM 76 NH2 ARG A 8 -5.405 -16.411 -5.011 1.00 0.00 N ATOM 0 H ARG A 8 -10.888 -14.826 1.471 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.211 -15.942 0.933 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.282 -14.780 -0.731 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.840 -13.788 -0.827 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.682 -16.251 -1.015 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.254 -16.632 -1.691 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.950 -15.266 -3.554 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.953 -14.114 -2.688 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.352 -16.373 -2.696 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.095 -14.610 -5.232 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.941 -15.045 -6.497 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.857 -16.936 -4.329 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.101 -16.366 -5.984 1.00 0.00 H new ATOM 90 N PRO A 9 -6.911 -13.722 1.262 1.00 0.00 N ATOM 91 CA PRO A 9 -6.156 -12.605 1.805 1.00 0.00 C ATOM 92 C PRO A 9 -6.488 -11.308 1.066 1.00 0.00 C ATOM 93 O PRO A 9 -7.142 -11.332 0.025 1.00 0.00 O ATOM 94 CB PRO A 9 -4.698 -13.011 1.667 1.00 0.00 C ATOM 95 CG PRO A 9 -4.672 -14.127 0.635 1.00 0.00 C ATOM 96 CD PRO A 9 -6.099 -14.609 0.434 1.00 0.00 C ATOM 0 HA PRO A 9 -6.401 -12.399 2.847 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.086 -12.168 1.346 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.295 -13.352 2.621 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.254 -13.768 -0.306 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.037 -14.945 0.974 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.393 -14.551 -0.614 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.212 -15.649 0.739 1.00 0.00 H new ATOM 104 N HIS A 10 -6.022 -10.205 1.634 1.00 0.00 N ATOM 105 CA HIS A 10 -6.261 -8.900 1.042 1.00 0.00 C ATOM 106 C HIS A 10 -4.981 -8.399 0.370 1.00 0.00 C ATOM 107 O HIS A 10 -4.012 -8.058 1.047 1.00 0.00 O ATOM 108 CB HIS A 10 -6.804 -7.921 2.086 1.00 0.00 C ATOM 109 CG HIS A 10 -8.211 -8.228 2.542 1.00 0.00 C ATOM 110 ND1 HIS A 10 -9.330 -7.891 1.800 1.00 0.00 N ATOM 111 CD2 HIS A 10 -8.668 -8.845 3.669 1.00 0.00 C ATOM 112 CE1 HIS A 10 -10.406 -8.290 2.462 1.00 0.00 C ATOM 113 NE2 HIS A 10 -9.993 -8.880 3.620 1.00 0.00 N ATOM 0 H HIS A 10 -5.480 -10.189 2.498 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.027 -8.981 0.271 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.143 -7.926 2.953 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.779 -6.913 1.672 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -9.327 -7.416 0.897 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.055 -9.238 4.466 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.430 -8.169 2.141 1.00 0.00 H new ATOM 121 N VAL A 11 -5.019 -8.371 -0.954 1.00 0.00 N ATOM 122 CA VAL A 11 -3.874 -7.917 -1.726 1.00 0.00 C ATOM 123 C VAL A 11 -3.959 -6.401 -1.913 1.00 0.00 C ATOM 124 O VAL A 11 -4.601 -5.922 -2.847 1.00 0.00 O ATOM 125 CB VAL A 11 -3.801 -8.680 -3.051 1.00 0.00 C ATOM 126 CG1 VAL A 11 -2.697 -8.116 -3.948 1.00 0.00 C ATOM 127 CG2 VAL A 11 -3.601 -10.178 -2.811 1.00 0.00 C ATOM 0 H VAL A 11 -5.824 -8.655 -1.512 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.946 -8.127 -1.193 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.752 -8.548 -3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.666 -8.676 -4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.901 -7.066 -4.160 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.736 -8.204 -3.441 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.553 -10.697 -3.768 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.672 -10.338 -2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.436 -10.568 -2.229 1.00 0.00 H new ATOM 137 N VAL A 12 -3.301 -5.688 -1.011 1.00 0.00 N ATOM 138 CA VAL A 12 -3.294 -4.236 -1.065 1.00 0.00 C ATOM 139 C VAL A 12 -2.366 -3.776 -2.191 1.00 0.00 C ATOM 140 O VAL A 12 -1.221 -4.218 -2.275 1.00 0.00 O ATOM 141 CB VAL A 12 -2.907 -3.664 0.301 1.00 0.00 C ATOM 142 CG1 VAL A 12 -2.880 -2.134 0.266 1.00 0.00 C ATOM 143 CG2 VAL A 12 -3.849 -4.171 1.394 1.00 0.00 C ATOM 0 H VAL A 12 -2.769 -6.089 -0.239 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.291 -3.857 -1.291 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.902 -4.012 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.602 -1.752 1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.151 -1.800 -0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.867 -1.759 -0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.552 -3.750 2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.870 -3.867 1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.797 -5.259 1.443 1.00 0.00 H new ATOM 153 N LYS A 13 -2.894 -2.895 -3.027 1.00 0.00 N ATOM 154 CA LYS A 13 -2.127 -2.370 -4.144 1.00 0.00 C ATOM 155 C LYS A 13 -1.670 -0.947 -3.820 1.00 0.00 C ATOM 156 O LYS A 13 -2.453 -0.003 -3.914 1.00 0.00 O ATOM 157 CB LYS A 13 -2.929 -2.478 -5.442 1.00 0.00 C ATOM 158 CG LYS A 13 -2.995 -3.927 -5.928 1.00 0.00 C ATOM 159 CD LYS A 13 -3.362 -3.993 -7.412 1.00 0.00 C ATOM 160 CE LYS A 13 -2.111 -4.130 -8.281 1.00 0.00 C ATOM 161 NZ LYS A 13 -2.029 -5.490 -8.860 1.00 0.00 N ATOM 0 H LYS A 13 -3.844 -2.531 -2.954 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.228 -2.965 -4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.938 -2.098 -5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.471 -1.854 -6.209 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.033 -4.413 -5.766 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.732 -4.477 -5.343 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.026 -4.839 -7.589 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.909 -3.094 -7.695 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.133 -3.389 -9.080 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.222 -3.928 -7.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.174 -5.566 -9.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.986 -6.192 -8.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.869 -5.669 -9.447 1.00 0.00 H new ATOM 175 N VAL A 14 -0.404 -0.837 -3.443 1.00 0.00 N ATOM 176 CA VAL A 14 0.166 0.456 -3.104 1.00 0.00 C ATOM 177 C VAL A 14 0.887 1.026 -4.327 1.00 0.00 C ATOM 178 O VAL A 14 1.745 0.366 -4.911 1.00 0.00 O ATOM 179 CB VAL A 14 1.077 0.321 -1.882 1.00 0.00 C ATOM 180 CG1 VAL A 14 2.017 1.523 -1.765 1.00 0.00 C ATOM 181 CG2 VAL A 14 0.256 0.141 -0.604 1.00 0.00 C ATOM 0 H VAL A 14 0.243 -1.622 -3.365 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.619 1.161 -2.831 1.00 0.00 H new ATOM 0 HB VAL A 14 1.688 -0.571 -2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.654 1.403 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.638 1.588 -2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.430 2.436 -1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.927 0.047 0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.392 1.006 -0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.353 -0.759 -0.687 1.00 0.00 H new ATOM 191 N TYR A 15 0.512 2.248 -4.679 1.00 0.00 N ATOM 192 CA TYR A 15 1.112 2.915 -5.822 1.00 0.00 C ATOM 193 C TYR A 15 2.201 3.893 -5.376 1.00 0.00 C ATOM 194 O TYR A 15 2.064 4.552 -4.346 1.00 0.00 O ATOM 195 CB TYR A 15 -0.017 3.698 -6.494 1.00 0.00 C ATOM 196 CG TYR A 15 -1.112 2.817 -7.098 1.00 0.00 C ATOM 197 CD1 TYR A 15 -2.188 2.427 -6.327 1.00 0.00 C ATOM 198 CD2 TYR A 15 -1.023 2.411 -8.414 1.00 0.00 C ATOM 199 CE1 TYR A 15 -3.219 1.598 -6.895 1.00 0.00 C ATOM 200 CE2 TYR A 15 -2.054 1.582 -8.983 1.00 0.00 C ATOM 201 CZ TYR A 15 -3.101 1.216 -8.195 1.00 0.00 C ATOM 202 OH TYR A 15 -4.074 0.432 -8.733 1.00 0.00 O ATOM 0 H TYR A 15 -0.200 2.793 -4.192 1.00 0.00 H new ATOM 0 HA TYR A 15 1.573 2.189 -6.492 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.467 4.368 -5.761 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.406 4.324 -7.280 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.257 2.744 -5.297 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.180 2.715 -9.017 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.067 1.287 -6.302 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.997 1.258 -10.012 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.858 0.239 -9.669 1.00 0.00 H new ATOM 212 N SER A 16 3.257 3.957 -6.174 1.00 0.00 N ATOM 213 CA SER A 16 4.368 4.844 -5.874 1.00 0.00 C ATOM 214 C SER A 16 4.303 6.085 -6.768 1.00 0.00 C ATOM 215 O SER A 16 3.840 6.011 -7.905 1.00 0.00 O ATOM 216 CB SER A 16 5.708 4.129 -6.056 1.00 0.00 C ATOM 217 OG SER A 16 5.780 3.437 -7.299 1.00 0.00 O ATOM 0 H SER A 16 3.367 3.409 -7.027 1.00 0.00 H new ATOM 0 HA SER A 16 4.289 5.150 -4.831 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.518 4.857 -5.999 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.856 3.423 -5.239 1.00 0.00 H new ATOM 0 HG SER A 16 5.376 2.549 -7.203 1.00 0.00 H new ATOM 223 N GLU A 17 4.774 7.195 -6.220 1.00 0.00 N ATOM 224 CA GLU A 17 4.775 8.449 -6.953 1.00 0.00 C ATOM 225 C GLU A 17 5.218 8.219 -8.399 1.00 0.00 C ATOM 226 O GLU A 17 4.558 8.670 -9.334 1.00 0.00 O ATOM 227 CB GLU A 17 5.667 9.486 -6.265 1.00 0.00 C ATOM 228 CG GLU A 17 4.839 10.422 -5.383 1.00 0.00 C ATOM 229 CD GLU A 17 5.205 11.885 -5.641 1.00 0.00 C ATOM 230 OE1 GLU A 17 4.708 12.425 -6.652 1.00 0.00 O ATOM 231 OE2 GLU A 17 5.975 12.430 -4.821 1.00 0.00 O ATOM 0 H GLU A 17 5.158 7.252 -5.277 1.00 0.00 H new ATOM 0 HA GLU A 17 3.758 8.842 -6.963 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.419 8.980 -5.659 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.202 10.067 -7.016 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.778 10.269 -5.580 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.007 10.181 -4.333 1.00 0.00 H new ATOM 238 N ASP A 18 6.333 7.516 -8.538 1.00 0.00 N ATOM 239 CA ASP A 18 6.872 7.220 -9.854 1.00 0.00 C ATOM 240 C ASP A 18 5.783 6.571 -10.712 1.00 0.00 C ATOM 241 O ASP A 18 5.625 6.912 -11.883 1.00 0.00 O ATOM 242 CB ASP A 18 8.045 6.243 -9.762 1.00 0.00 C ATOM 243 CG ASP A 18 9.175 6.493 -10.763 1.00 0.00 C ATOM 244 OD1 ASP A 18 9.964 7.428 -10.506 1.00 0.00 O ATOM 245 OD2 ASP A 18 9.225 5.744 -11.762 1.00 0.00 O ATOM 0 H ASP A 18 6.878 7.143 -7.760 1.00 0.00 H new ATOM 0 HA ASP A 18 7.216 8.155 -10.296 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.457 6.287 -8.754 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.668 5.231 -9.908 1.00 0.00 H new ATOM 250 N GLY A 19 5.060 5.648 -10.095 1.00 0.00 N ATOM 251 CA GLY A 19 3.991 4.949 -10.788 1.00 0.00 C ATOM 252 C GLY A 19 4.054 3.444 -10.516 1.00 0.00 C ATOM 253 O GLY A 19 3.042 2.751 -10.607 1.00 0.00 O ATOM 0 H GLY A 19 5.193 5.368 -9.123 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.026 5.341 -10.465 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.067 5.132 -11.860 1.00 0.00 H new ATOM 257 N ALA A 20 5.252 2.984 -10.188 1.00 0.00 N ATOM 258 CA ALA A 20 5.460 1.575 -9.903 1.00 0.00 C ATOM 259 C ALA A 20 4.393 1.095 -8.917 1.00 0.00 C ATOM 260 O ALA A 20 4.358 1.540 -7.771 1.00 0.00 O ATOM 261 CB ALA A 20 6.880 1.365 -9.373 1.00 0.00 C ATOM 0 H ALA A 20 6.089 3.562 -10.113 1.00 0.00 H new ATOM 0 HA ALA A 20 5.360 0.981 -10.812 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.036 0.308 -9.159 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.600 1.694 -10.122 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.017 1.944 -8.460 1.00 0.00 H new ATOM 267 N CYS A 21 3.549 0.195 -9.399 1.00 0.00 N ATOM 268 CA CYS A 21 2.484 -0.350 -8.575 1.00 0.00 C ATOM 269 C CYS A 21 3.037 -1.553 -7.809 1.00 0.00 C ATOM 270 O CYS A 21 3.548 -2.496 -8.412 1.00 0.00 O ATOM 271 CB CYS A 21 1.256 -0.719 -9.409 1.00 0.00 C ATOM 272 SG CYS A 21 1.689 -2.021 -10.619 1.00 0.00 S ATOM 0 H CYS A 21 3.581 -0.171 -10.351 1.00 0.00 H new ATOM 0 HA CYS A 21 2.146 0.406 -7.866 1.00 0.00 H new ATOM 0 HB2 CYS A 21 0.455 -1.069 -8.757 1.00 0.00 H new ATOM 0 HB3 CYS A 21 0.881 0.162 -9.929 1.00 0.00 H new ATOM 0 HG CYS A 21 2.678 -2.729 -10.160 1.00 0.00 H new ATOM 278 N ARG A 22 2.915 -1.483 -6.492 1.00 0.00 N ATOM 279 CA ARG A 22 3.396 -2.556 -5.637 1.00 0.00 C ATOM 280 C ARG A 22 2.234 -3.174 -4.857 1.00 0.00 C ATOM 281 O ARG A 22 1.267 -2.488 -4.530 1.00 0.00 O ATOM 282 CB ARG A 22 4.449 -2.045 -4.652 1.00 0.00 C ATOM 283 CG ARG A 22 5.859 -2.202 -5.226 1.00 0.00 C ATOM 284 CD ARG A 22 6.723 -0.982 -4.901 1.00 0.00 C ATOM 285 NE ARG A 22 8.079 -1.156 -5.467 1.00 0.00 N ATOM 286 CZ ARG A 22 9.153 -0.459 -5.073 1.00 0.00 C ATOM 287 NH1 ARG A 22 9.035 0.465 -4.109 1.00 0.00 N ATOM 288 NH2 ARG A 22 10.344 -0.684 -5.643 1.00 0.00 N ATOM 0 H ARG A 22 2.490 -0.700 -5.995 1.00 0.00 H new ATOM 0 HA ARG A 22 3.851 -3.312 -6.277 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.260 -0.996 -4.424 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.371 -2.594 -3.714 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.323 -3.100 -4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.803 -2.335 -6.306 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.263 -0.082 -5.308 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.785 -0.848 -3.821 1.00 0.00 H new ATOM 0 HE ARG A 22 8.204 -1.850 -6.204 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.128 0.637 -3.676 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.852 0.996 -3.809 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.433 -1.386 -6.377 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.162 -0.153 -5.343 1.00 0.00 H new ATOM 302 N SER A 23 2.369 -4.462 -4.580 1.00 0.00 N ATOM 303 CA SER A 23 1.342 -5.181 -3.844 1.00 0.00 C ATOM 304 C SER A 23 1.954 -5.852 -2.612 1.00 0.00 C ATOM 305 O SER A 23 3.135 -6.198 -2.612 1.00 0.00 O ATOM 306 CB SER A 23 0.656 -6.222 -4.730 1.00 0.00 C ATOM 307 OG SER A 23 1.595 -6.981 -5.487 1.00 0.00 O ATOM 0 H SER A 23 3.174 -5.027 -4.852 1.00 0.00 H new ATOM 0 HA SER A 23 0.587 -4.464 -3.522 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.064 -6.894 -4.108 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.036 -5.722 -5.407 1.00 0.00 H new ATOM 0 HG SER A 23 1.118 -7.636 -6.038 1.00 0.00 H new ATOM 313 N VAL A 24 1.124 -6.015 -1.593 1.00 0.00 N ATOM 314 CA VAL A 24 1.568 -6.639 -0.358 1.00 0.00 C ATOM 315 C VAL A 24 0.470 -7.568 0.163 1.00 0.00 C ATOM 316 O VAL A 24 -0.707 -7.211 0.151 1.00 0.00 O ATOM 317 CB VAL A 24 1.973 -5.565 0.654 1.00 0.00 C ATOM 318 CG1 VAL A 24 3.311 -4.928 0.272 1.00 0.00 C ATOM 319 CG2 VAL A 24 0.880 -4.503 0.793 1.00 0.00 C ATOM 0 H VAL A 24 0.146 -5.726 -1.597 1.00 0.00 H new ATOM 0 HA VAL A 24 2.453 -7.250 -0.535 1.00 0.00 H new ATOM 0 HB VAL A 24 2.097 -6.048 1.623 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.575 -4.168 1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.085 -5.695 0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.227 -4.467 -0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.193 -3.752 1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.710 -4.027 -0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.043 -4.973 1.133 1.00 0.00 H new ATOM 329 N GLU A 25 0.895 -8.742 0.608 1.00 0.00 N ATOM 330 CA GLU A 25 -0.038 -9.725 1.132 1.00 0.00 C ATOM 331 C GLU A 25 -0.400 -9.392 2.581 1.00 0.00 C ATOM 332 O GLU A 25 0.471 -9.350 3.448 1.00 0.00 O ATOM 333 CB GLU A 25 0.536 -11.139 1.021 1.00 0.00 C ATOM 334 CG GLU A 25 -0.351 -12.023 0.143 1.00 0.00 C ATOM 335 CD GLU A 25 -0.228 -13.494 0.546 1.00 0.00 C ATOM 336 OE1 GLU A 25 0.819 -14.088 0.212 1.00 0.00 O ATOM 337 OE2 GLU A 25 -1.185 -13.991 1.179 1.00 0.00 O ATOM 0 H GLU A 25 1.872 -9.034 0.616 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.948 -9.690 0.533 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.541 -11.095 0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.624 -11.579 2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.389 -11.704 0.231 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.068 -11.904 -0.903 1.00 0.00 H new ATOM 344 N VAL A 26 -1.688 -9.166 2.798 1.00 0.00 N ATOM 345 CA VAL A 26 -2.176 -8.838 4.127 1.00 0.00 C ATOM 346 C VAL A 26 -3.573 -9.434 4.313 1.00 0.00 C ATOM 347 O VAL A 26 -4.145 -9.989 3.376 1.00 0.00 O ATOM 348 CB VAL A 26 -2.139 -7.324 4.340 1.00 0.00 C ATOM 349 CG1 VAL A 26 -0.708 -6.791 4.239 1.00 0.00 C ATOM 350 CG2 VAL A 26 -3.062 -6.608 3.351 1.00 0.00 C ATOM 0 H VAL A 26 -2.408 -9.204 2.076 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.531 -9.275 4.889 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.503 -7.118 5.347 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.710 -5.712 4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.088 -7.266 5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.305 -7.015 3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.017 -5.533 3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.742 -6.825 2.332 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.086 -6.955 3.492 1.00 0.00 H new ATOM 360 N ALA A 27 -4.082 -9.300 5.529 1.00 0.00 N ATOM 361 CA ALA A 27 -5.400 -9.818 5.850 1.00 0.00 C ATOM 362 C ALA A 27 -6.215 -8.729 6.551 1.00 0.00 C ATOM 363 O ALA A 27 -5.701 -7.646 6.829 1.00 0.00 O ATOM 364 CB ALA A 27 -5.260 -11.080 6.703 1.00 0.00 C ATOM 0 H ALA A 27 -3.605 -8.840 6.304 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.934 -10.096 4.941 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.250 -11.468 6.944 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.700 -11.833 6.149 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.731 -10.839 7.625 1.00 0.00 H new ATOM 370 N ALA A 28 -7.472 -9.053 6.816 1.00 0.00 N ATOM 371 CA ALA A 28 -8.363 -8.115 7.479 1.00 0.00 C ATOM 372 C ALA A 28 -7.919 -7.938 8.932 1.00 0.00 C ATOM 373 O ALA A 28 -8.636 -8.322 9.855 1.00 0.00 O ATOM 374 CB ALA A 28 -9.805 -8.614 7.366 1.00 0.00 C ATOM 0 H ALA A 28 -7.895 -9.952 6.584 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.318 -7.137 6.999 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.473 -7.911 7.863 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.081 -8.695 6.315 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.890 -9.592 7.840 1.00 0.00 H new ATOM 380 N GLY A 29 -6.739 -7.357 9.091 1.00 0.00 N ATOM 381 CA GLY A 29 -6.191 -7.124 10.416 1.00 0.00 C ATOM 382 C GLY A 29 -5.027 -6.132 10.362 1.00 0.00 C ATOM 383 O GLY A 29 -4.942 -5.224 11.187 1.00 0.00 O ATOM 0 H GLY A 29 -6.147 -7.040 8.323 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.971 -6.739 11.073 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.850 -8.067 10.843 1.00 0.00 H new ATOM 387 N ALA A 30 -4.160 -6.340 9.383 1.00 0.00 N ATOM 388 CA ALA A 30 -3.005 -5.476 9.210 1.00 0.00 C ATOM 389 C ALA A 30 -3.458 -4.015 9.237 1.00 0.00 C ATOM 390 O ALA A 30 -4.623 -3.717 8.977 1.00 0.00 O ATOM 391 CB ALA A 30 -2.284 -5.839 7.910 1.00 0.00 C ATOM 0 H ALA A 30 -4.234 -7.095 8.701 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.296 -5.617 10.026 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.418 -5.190 7.781 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.956 -6.878 7.953 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.964 -5.708 7.068 1.00 0.00 H new ATOM 397 N THR A 31 -2.513 -3.141 9.553 1.00 0.00 N ATOM 398 CA THR A 31 -2.801 -1.718 9.617 1.00 0.00 C ATOM 399 C THR A 31 -1.918 -0.951 8.631 1.00 0.00 C ATOM 400 O THR A 31 -1.146 -1.552 7.886 1.00 0.00 O ATOM 401 CB THR A 31 -2.627 -1.265 11.068 1.00 0.00 C ATOM 402 OG1 THR A 31 -1.216 -1.138 11.225 1.00 0.00 O ATOM 403 CG2 THR A 31 -3.017 -2.352 12.071 1.00 0.00 C ATOM 0 H THR A 31 -1.548 -3.391 9.767 1.00 0.00 H new ATOM 0 HA THR A 31 -3.828 -1.508 9.317 1.00 0.00 H new ATOM 0 HB THR A 31 -3.230 -0.374 11.245 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.989 -1.163 12.178 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.875 -1.979 13.085 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.063 -2.622 11.927 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.391 -3.231 11.917 1.00 0.00 H new ATOM 411 N ALA A 32 -2.062 0.366 8.658 1.00 0.00 N ATOM 412 CA ALA A 32 -1.287 1.222 7.776 1.00 0.00 C ATOM 413 C ALA A 32 0.188 1.159 8.177 1.00 0.00 C ATOM 414 O ALA A 32 1.052 1.659 7.459 1.00 0.00 O ATOM 415 CB ALA A 32 -1.845 2.646 7.826 1.00 0.00 C ATOM 0 H ALA A 32 -2.704 0.861 9.277 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.363 0.878 6.744 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.264 3.288 7.164 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.886 2.640 7.503 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.783 3.025 8.846 1.00 0.00 H new ATOM 421 N ARG A 33 0.430 0.540 9.323 1.00 0.00 N ATOM 422 CA ARG A 33 1.786 0.405 9.828 1.00 0.00 C ATOM 423 C ARG A 33 2.449 -0.842 9.241 1.00 0.00 C ATOM 424 O ARG A 33 3.619 -0.807 8.862 1.00 0.00 O ATOM 425 CB ARG A 33 1.797 0.309 11.355 1.00 0.00 C ATOM 426 CG ARG A 33 3.084 -0.351 11.853 1.00 0.00 C ATOM 427 CD ARG A 33 4.311 0.475 11.463 1.00 0.00 C ATOM 428 NE ARG A 33 5.346 0.375 12.517 1.00 0.00 N ATOM 429 CZ ARG A 33 6.517 1.026 12.485 1.00 0.00 C ATOM 430 NH1 ARG A 33 6.809 1.828 11.452 1.00 0.00 N ATOM 431 NH2 ARG A 33 7.395 0.874 13.485 1.00 0.00 N ATOM 0 H ARG A 33 -0.289 0.126 9.916 1.00 0.00 H new ATOM 0 HA ARG A 33 2.343 1.292 9.527 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.705 1.306 11.786 1.00 0.00 H new ATOM 0 HB3 ARG A 33 0.935 -0.266 11.693 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.045 -0.461 12.937 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.168 -1.354 11.434 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.712 0.120 10.514 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.027 1.517 11.319 1.00 0.00 H new ATOM 0 HE ARG A 33 5.156 -0.227 13.318 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.140 1.943 10.691 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.700 2.324 11.427 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.172 0.263 14.271 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.286 1.369 13.461 1.00 0.00 H new ATOM 445 N HIS A 34 1.674 -1.915 9.183 1.00 0.00 N ATOM 446 CA HIS A 34 2.172 -3.171 8.649 1.00 0.00 C ATOM 447 C HIS A 34 2.711 -2.948 7.234 1.00 0.00 C ATOM 448 O HIS A 34 3.887 -3.195 6.968 1.00 0.00 O ATOM 449 CB HIS A 34 1.092 -4.253 8.708 1.00 0.00 C ATOM 450 CG HIS A 34 1.063 -5.021 10.008 1.00 0.00 C ATOM 451 ND1 HIS A 34 0.776 -4.426 11.224 1.00 0.00 N ATOM 452 CD2 HIS A 34 1.287 -6.341 10.268 1.00 0.00 C ATOM 453 CE1 HIS A 34 0.828 -5.355 12.167 1.00 0.00 C ATOM 454 NE2 HIS A 34 1.145 -6.541 11.572 1.00 0.00 N ATOM 0 H HIS A 34 0.704 -1.940 9.497 1.00 0.00 H new ATOM 0 HA HIS A 34 2.998 -3.530 9.263 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.118 -3.789 8.550 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.248 -4.953 7.887 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.537 -7.095 9.537 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.651 -5.201 13.221 1.00 0.00 H new ATOM 0 HE2 HIS A 34 1.255 -7.435 12.051 1.00 0.00 H new ATOM 462 N VAL A 35 1.826 -2.485 6.364 1.00 0.00 N ATOM 463 CA VAL A 35 2.199 -2.226 4.984 1.00 0.00 C ATOM 464 C VAL A 35 3.471 -1.377 4.954 1.00 0.00 C ATOM 465 O VAL A 35 4.504 -1.818 4.452 1.00 0.00 O ATOM 466 CB VAL A 35 1.030 -1.578 4.239 1.00 0.00 C ATOM 467 CG1 VAL A 35 1.467 -1.082 2.859 1.00 0.00 C ATOM 468 CG2 VAL A 35 -0.151 -2.544 4.126 1.00 0.00 C ATOM 0 H VAL A 35 0.852 -2.283 6.588 1.00 0.00 H new ATOM 0 HA VAL A 35 2.420 -3.160 4.467 1.00 0.00 H new ATOM 0 HB VAL A 35 0.702 -0.714 4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.618 -0.626 2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.261 -0.344 2.972 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.834 -1.922 2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.968 -2.059 3.592 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.159 -3.436 3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.486 -2.827 5.124 1.00 0.00 H new ATOM 478 N CYS A 36 3.355 -0.174 5.497 1.00 0.00 N ATOM 479 CA CYS A 36 4.483 0.741 5.538 1.00 0.00 C ATOM 480 C CYS A 36 5.741 -0.063 5.875 1.00 0.00 C ATOM 481 O CYS A 36 6.721 -0.027 5.133 1.00 0.00 O ATOM 482 CB CYS A 36 4.251 1.880 6.533 1.00 0.00 C ATOM 483 SG CYS A 36 5.703 2.993 6.559 1.00 0.00 S ATOM 0 H CYS A 36 2.497 0.188 5.912 1.00 0.00 H new ATOM 0 HA CYS A 36 4.606 1.216 4.564 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.358 2.440 6.256 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.076 1.474 7.529 1.00 0.00 H new ATOM 0 HG CYS A 36 5.914 3.459 5.364 1.00 0.00 H new ATOM 489 N GLU A 37 5.671 -0.769 6.994 1.00 0.00 N ATOM 490 CA GLU A 37 6.792 -1.580 7.437 1.00 0.00 C ATOM 491 C GLU A 37 7.136 -2.634 6.382 1.00 0.00 C ATOM 492 O GLU A 37 8.307 -2.848 6.072 1.00 0.00 O ATOM 493 CB GLU A 37 6.495 -2.234 8.788 1.00 0.00 C ATOM 494 CG GLU A 37 6.729 -1.251 9.937 1.00 0.00 C ATOM 495 CD GLU A 37 8.155 -1.369 10.479 1.00 0.00 C ATOM 496 OE1 GLU A 37 9.059 -0.810 9.822 1.00 0.00 O ATOM 497 OE2 GLU A 37 8.308 -2.016 11.537 1.00 0.00 O ATOM 0 H GLU A 37 4.856 -0.796 7.607 1.00 0.00 H new ATOM 0 HA GLU A 37 7.657 -0.929 7.567 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.463 -2.583 8.808 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.130 -3.110 8.919 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.551 -0.233 9.591 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.015 -1.445 10.737 1.00 0.00 H new ATOM 504 N MET A 38 6.094 -3.263 5.859 1.00 0.00 N ATOM 505 CA MET A 38 6.271 -4.288 4.845 1.00 0.00 C ATOM 506 C MET A 38 6.933 -3.712 3.592 1.00 0.00 C ATOM 507 O MET A 38 7.658 -4.415 2.889 1.00 0.00 O ATOM 508 CB MET A 38 4.910 -4.882 4.476 1.00 0.00 C ATOM 509 CG MET A 38 4.380 -5.777 5.599 1.00 0.00 C ATOM 510 SD MET A 38 2.639 -6.090 5.359 1.00 0.00 S ATOM 511 CE MET A 38 2.701 -7.048 3.854 1.00 0.00 C ATOM 0 H MET A 38 5.124 -3.083 6.119 1.00 0.00 H new ATOM 0 HA MET A 38 6.919 -5.065 5.251 1.00 0.00 H new ATOM 0 HB2 MET A 38 4.200 -4.079 4.280 1.00 0.00 H new ATOM 0 HB3 MET A 38 4.999 -5.460 3.556 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.929 -6.719 5.614 1.00 0.00 H new ATOM 0 HG3 MET A 38 4.542 -5.298 6.564 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.746 -6.971 3.334 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.496 -6.667 3.213 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.899 -8.092 4.095 1.00 0.00 H new ATOM 521 N LEU A 39 6.659 -2.438 3.349 1.00 0.00 N ATOM 522 CA LEU A 39 7.219 -1.759 2.193 1.00 0.00 C ATOM 523 C LEU A 39 8.641 -1.296 2.518 1.00 0.00 C ATOM 524 O LEU A 39 9.604 -1.766 1.915 1.00 0.00 O ATOM 525 CB LEU A 39 6.294 -0.631 1.734 1.00 0.00 C ATOM 526 CG LEU A 39 4.859 -1.037 1.392 1.00 0.00 C ATOM 527 CD1 LEU A 39 4.054 0.165 0.893 1.00 0.00 C ATOM 528 CD2 LEU A 39 4.841 -2.194 0.391 1.00 0.00 C ATOM 0 H LEU A 39 6.056 -1.858 3.933 1.00 0.00 H new ATOM 0 HA LEU A 39 7.292 -2.443 1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.259 0.125 2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.736 -0.160 0.856 1.00 0.00 H new ATOM 0 HG LEU A 39 4.377 -1.392 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.038 -0.150 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.025 0.931 1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.525 0.572 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.809 -2.463 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.346 -1.890 -0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.355 -3.054 0.820 1.00 0.00 H new ATOM 540 N VAL A 40 8.726 -0.380 3.471 1.00 0.00 N ATOM 541 CA VAL A 40 10.014 0.153 3.884 1.00 0.00 C ATOM 542 C VAL A 40 11.023 -0.992 3.993 1.00 0.00 C ATOM 543 O VAL A 40 12.146 -0.884 3.502 1.00 0.00 O ATOM 544 CB VAL A 40 9.861 0.942 5.186 1.00 0.00 C ATOM 545 CG1 VAL A 40 9.049 2.218 4.961 1.00 0.00 C ATOM 546 CG2 VAL A 40 9.232 0.077 6.280 1.00 0.00 C ATOM 0 H VAL A 40 7.925 0.007 3.969 1.00 0.00 H new ATOM 0 HA VAL A 40 10.395 0.852 3.140 1.00 0.00 H new ATOM 0 HB VAL A 40 10.857 1.233 5.521 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.955 2.760 5.902 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.555 2.847 4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.057 1.958 4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.134 0.661 7.195 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.247 -0.259 5.957 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.866 -0.789 6.469 1.00 0.00 H new ATOM 556 N GLN A 41 10.587 -2.063 4.641 1.00 0.00 N ATOM 557 CA GLN A 41 11.438 -3.227 4.821 1.00 0.00 C ATOM 558 C GLN A 41 11.722 -3.890 3.472 1.00 0.00 C ATOM 559 O GLN A 41 10.905 -4.660 2.970 1.00 0.00 O ATOM 560 CB GLN A 41 10.808 -4.220 5.799 1.00 0.00 C ATOM 561 CG GLN A 41 10.872 -3.693 7.234 1.00 0.00 C ATOM 562 CD GLN A 41 10.675 -4.826 8.244 1.00 0.00 C ATOM 563 OE1 GLN A 41 11.389 -5.815 8.253 1.00 0.00 O ATOM 564 NE2 GLN A 41 9.669 -4.626 9.090 1.00 0.00 N ATOM 0 H GLN A 41 9.656 -2.149 5.048 1.00 0.00 H new ATOM 0 HA GLN A 41 12.385 -2.898 5.248 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.770 -4.401 5.520 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.327 -5.177 5.736 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.835 -3.211 7.406 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.105 -2.933 7.381 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.111 -3.775 9.027 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.455 -5.324 9.802 1.00 0.00 H new ATOM 573 N ARG A 42 12.885 -3.568 2.923 1.00 0.00 N ATOM 574 CA ARG A 42 13.287 -4.123 1.642 1.00 0.00 C ATOM 575 C ARG A 42 14.753 -4.559 1.690 1.00 0.00 C ATOM 576 O ARG A 42 15.087 -5.670 1.282 1.00 0.00 O ATOM 577 CB ARG A 42 13.102 -3.103 0.517 1.00 0.00 C ATOM 578 CG ARG A 42 11.771 -3.320 -0.206 1.00 0.00 C ATOM 579 CD ARG A 42 11.852 -4.514 -1.159 1.00 0.00 C ATOM 580 NE ARG A 42 10.873 -4.354 -2.256 1.00 0.00 N ATOM 581 CZ ARG A 42 10.557 -5.320 -3.129 1.00 0.00 C ATOM 582 NH1 ARG A 42 11.143 -6.522 -3.038 1.00 0.00 N ATOM 583 NH2 ARG A 42 9.657 -5.085 -4.093 1.00 0.00 N ATOM 0 H ARG A 42 13.561 -2.930 3.342 1.00 0.00 H new ATOM 0 HA ARG A 42 12.653 -4.987 1.441 1.00 0.00 H new ATOM 0 HB2 ARG A 42 13.137 -2.094 0.927 1.00 0.00 H new ATOM 0 HB3 ARG A 42 13.924 -3.187 -0.194 1.00 0.00 H new ATOM 0 HG2 ARG A 42 10.979 -3.487 0.525 1.00 0.00 H new ATOM 0 HG3 ARG A 42 11.506 -2.422 -0.764 1.00 0.00 H new ATOM 0 HD2 ARG A 42 12.859 -4.595 -1.568 1.00 0.00 H new ATOM 0 HD3 ARG A 42 11.653 -5.438 -0.615 1.00 0.00 H new ATOM 0 HE ARG A 42 10.409 -3.451 -2.354 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.829 -6.701 -2.305 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.903 -7.258 -3.702 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.212 -4.170 -4.163 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.417 -5.821 -4.757 1.00 0.00 H new ATOM 597 N ALA A 43 15.588 -3.661 2.191 1.00 0.00 N ATOM 598 CA ALA A 43 17.010 -3.939 2.297 1.00 0.00 C ATOM 599 C ALA A 43 17.403 -4.010 3.774 1.00 0.00 C ATOM 600 O ALA A 43 17.891 -5.038 4.242 1.00 0.00 O ATOM 601 CB ALA A 43 17.798 -2.872 1.535 1.00 0.00 C ATOM 0 H ALA A 43 15.307 -2.740 2.528 1.00 0.00 H new ATOM 0 HA ALA A 43 17.247 -4.903 1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 43 18.865 -3.081 1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 43 17.504 -2.883 0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.588 -1.891 1.961 1.00 0.00 H new ATOM 607 N HIS A 44 17.176 -2.904 4.468 1.00 0.00 N ATOM 608 CA HIS A 44 17.500 -2.828 5.882 1.00 0.00 C ATOM 609 C HIS A 44 16.714 -1.685 6.527 1.00 0.00 C ATOM 610 O HIS A 44 16.279 -0.761 5.842 1.00 0.00 O ATOM 611 CB HIS A 44 19.010 -2.698 6.087 1.00 0.00 C ATOM 612 CG HIS A 44 19.486 -1.277 6.270 1.00 0.00 C ATOM 613 ND1 HIS A 44 20.234 -0.871 7.361 1.00 0.00 N ATOM 614 CD2 HIS A 44 19.313 -0.172 5.489 1.00 0.00 C ATOM 615 CE1 HIS A 44 20.493 0.422 7.233 1.00 0.00 C ATOM 616 NE2 HIS A 44 19.921 0.854 6.072 1.00 0.00 N ATOM 0 H HIS A 44 16.771 -2.053 4.077 1.00 0.00 H new ATOM 0 HA HIS A 44 17.203 -3.752 6.377 1.00 0.00 H new ATOM 0 HB2 HIS A 44 19.299 -3.282 6.961 1.00 0.00 H new ATOM 0 HB3 HIS A 44 19.521 -3.134 5.229 1.00 0.00 H new ATOM 0 HD2 HIS A 44 18.773 -0.138 4.554 1.00 0.00 H new ATOM 0 HE1 HIS A 44 21.058 1.028 7.926 1.00 0.00 H new ATOM 0 HE2 HIS A 44 19.955 1.808 5.712 1.00 0.00 H new ATOM 624 N ALA A 45 16.555 -1.785 7.839 1.00 0.00 N ATOM 625 CA ALA A 45 15.829 -0.771 8.585 1.00 0.00 C ATOM 626 C ALA A 45 16.305 -0.776 10.039 1.00 0.00 C ATOM 627 O ALA A 45 16.337 -1.823 10.682 1.00 0.00 O ATOM 628 CB ALA A 45 14.326 -1.026 8.463 1.00 0.00 C ATOM 0 H ALA A 45 16.917 -2.553 8.404 1.00 0.00 H new ATOM 0 HA ALA A 45 16.026 0.220 8.177 1.00 0.00 H new ATOM 0 HB1 ALA A 45 13.781 -0.266 9.023 1.00 0.00 H new ATOM 0 HB2 ALA A 45 14.034 -0.983 7.414 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.090 -2.011 8.866 1.00 0.00 H new ATOM 634 N LEU A 46 16.663 0.408 10.514 1.00 0.00 N ATOM 635 CA LEU A 46 17.136 0.554 11.881 1.00 0.00 C ATOM 636 C LEU A 46 16.609 1.868 12.460 1.00 0.00 C ATOM 637 O LEU A 46 17.322 2.870 12.485 1.00 0.00 O ATOM 638 CB LEU A 46 18.659 0.424 11.937 1.00 0.00 C ATOM 639 CG LEU A 46 19.233 -0.188 13.217 1.00 0.00 C ATOM 640 CD1 LEU A 46 20.058 -1.438 12.905 1.00 0.00 C ATOM 641 CD2 LEU A 46 20.036 0.847 14.008 1.00 0.00 C ATOM 0 H LEU A 46 16.635 1.275 9.977 1.00 0.00 H new ATOM 0 HA LEU A 46 16.748 -0.249 12.507 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.984 -0.182 11.091 1.00 0.00 H new ATOM 0 HB3 LEU A 46 19.094 1.415 11.805 1.00 0.00 H new ATOM 0 HG LEU A 46 18.402 -0.501 13.849 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.454 -1.853 13.832 1.00 0.00 H new ATOM 0 HD12 LEU A 46 19.425 -2.179 12.417 1.00 0.00 H new ATOM 0 HD13 LEU A 46 20.883 -1.174 12.244 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.433 0.386 14.913 1.00 0.00 H new ATOM 0 HD22 LEU A 46 20.860 1.213 13.396 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.388 1.680 14.280 1.00 0.00 H new ATOM 653 N SER A 47 15.365 1.822 12.913 1.00 0.00 N ATOM 654 CA SER A 47 14.734 2.996 13.491 1.00 0.00 C ATOM 655 C SER A 47 15.109 4.241 12.684 1.00 0.00 C ATOM 656 O SER A 47 16.115 4.890 12.968 1.00 0.00 O ATOM 657 CB SER A 47 15.136 3.172 14.956 1.00 0.00 C ATOM 658 OG SER A 47 14.018 3.068 15.833 1.00 0.00 O ATOM 0 H SER A 47 14.777 0.989 12.891 1.00 0.00 H new ATOM 0 HA SER A 47 13.653 2.858 13.453 1.00 0.00 H new ATOM 0 HB2 SER A 47 15.876 2.418 15.222 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.610 4.145 15.087 1.00 0.00 H new ATOM 0 HG SER A 47 14.317 3.184 16.759 1.00 0.00 H new ATOM 664 N ASP A 48 14.279 4.539 11.695 1.00 0.00 N ATOM 665 CA ASP A 48 14.510 5.695 10.846 1.00 0.00 C ATOM 666 C ASP A 48 13.465 5.718 9.728 1.00 0.00 C ATOM 667 O ASP A 48 13.195 4.693 9.105 1.00 0.00 O ATOM 668 CB ASP A 48 15.895 5.633 10.197 1.00 0.00 C ATOM 669 CG ASP A 48 16.186 4.351 9.415 1.00 0.00 C ATOM 670 OD1 ASP A 48 16.662 3.390 10.057 1.00 0.00 O ATOM 671 OD2 ASP A 48 15.927 4.361 8.192 1.00 0.00 O ATOM 0 H ASP A 48 13.445 3.999 11.463 1.00 0.00 H new ATOM 0 HA ASP A 48 14.441 6.589 11.466 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.003 6.484 9.524 1.00 0.00 H new ATOM 0 HB3 ASP A 48 16.650 5.745 10.975 1.00 0.00 H new ATOM 676 N GLU A 49 12.907 6.899 9.509 1.00 0.00 N ATOM 677 CA GLU A 49 11.898 7.070 8.477 1.00 0.00 C ATOM 678 C GLU A 49 10.694 6.167 8.757 1.00 0.00 C ATOM 679 O GLU A 49 10.664 5.016 8.327 1.00 0.00 O ATOM 680 CB GLU A 49 12.480 6.793 7.090 1.00 0.00 C ATOM 681 CG GLU A 49 13.599 7.782 6.757 1.00 0.00 C ATOM 682 CD GLU A 49 14.766 7.076 6.063 1.00 0.00 C ATOM 683 OE1 GLU A 49 14.658 6.876 4.834 1.00 0.00 O ATOM 684 OE2 GLU A 49 15.739 6.752 6.777 1.00 0.00 O ATOM 0 H GLU A 49 13.134 7.747 10.028 1.00 0.00 H new ATOM 0 HA GLU A 49 11.562 8.107 8.493 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.866 5.775 7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.692 6.864 6.340 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.212 8.571 6.113 1.00 0.00 H new ATOM 0 HG3 GLU A 49 13.950 8.260 7.671 1.00 0.00 H new ATOM 691 N THR A 50 9.732 6.725 9.477 1.00 0.00 N ATOM 692 CA THR A 50 8.529 5.985 9.819 1.00 0.00 C ATOM 693 C THR A 50 7.666 5.765 8.576 1.00 0.00 C ATOM 694 O THR A 50 7.216 4.650 8.317 1.00 0.00 O ATOM 695 CB THR A 50 7.807 6.745 10.934 1.00 0.00 C ATOM 696 OG1 THR A 50 6.969 5.763 11.538 1.00 0.00 O ATOM 697 CG2 THR A 50 6.828 7.788 10.391 1.00 0.00 C ATOM 0 H THR A 50 9.761 7.680 9.833 1.00 0.00 H new ATOM 0 HA THR A 50 8.770 4.988 10.189 1.00 0.00 H new ATOM 0 HB THR A 50 8.541 7.234 11.574 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.465 6.170 12.273 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.342 8.299 11.222 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.369 8.515 9.785 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.074 7.295 9.778 1.00 0.00 H new ATOM 705 N TRP A 51 7.460 6.847 7.839 1.00 0.00 N ATOM 706 CA TRP A 51 6.658 6.786 6.628 1.00 0.00 C ATOM 707 C TRP A 51 5.238 6.377 7.022 1.00 0.00 C ATOM 708 O TRP A 51 4.981 6.044 8.178 1.00 0.00 O ATOM 709 CB TRP A 51 7.288 5.844 5.600 1.00 0.00 C ATOM 710 CG TRP A 51 8.443 6.466 4.812 1.00 0.00 C ATOM 711 CD1 TRP A 51 9.505 7.130 5.290 1.00 0.00 C ATOM 712 CD2 TRP A 51 8.610 6.455 3.379 1.00 0.00 C ATOM 713 NE1 TRP A 51 10.340 7.546 4.273 1.00 0.00 N ATOM 714 CE2 TRP A 51 9.779 7.122 3.074 1.00 0.00 C ATOM 715 CE3 TRP A 51 7.801 5.899 2.373 1.00 0.00 C ATOM 716 CZ2 TRP A 51 10.244 7.296 1.765 1.00 0.00 C ATOM 717 CZ3 TRP A 51 8.279 6.081 1.070 1.00 0.00 C ATOM 718 CH2 TRP A 51 9.454 6.751 0.746 1.00 0.00 C ATOM 0 H TRP A 51 7.834 7.771 8.057 1.00 0.00 H new ATOM 0 HA TRP A 51 6.618 7.761 6.143 1.00 0.00 H new ATOM 0 HB2 TRP A 51 7.650 4.953 6.113 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.518 5.519 4.900 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.684 7.316 6.339 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.209 8.069 4.381 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.883 5.373 2.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.163 7.822 1.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.694 5.672 0.259 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.755 6.850 -0.286 1.00 0.00 H new ATOM 729 N GLY A 52 4.351 6.414 6.038 1.00 0.00 N ATOM 730 CA GLY A 52 2.963 6.051 6.267 1.00 0.00 C ATOM 731 C GLY A 52 2.230 5.823 4.944 1.00 0.00 C ATOM 732 O GLY A 52 2.855 5.769 3.885 1.00 0.00 O ATOM 0 H GLY A 52 4.567 6.690 5.080 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.915 5.147 6.874 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.465 6.840 6.831 1.00 0.00 H new ATOM 736 N LEU A 53 0.915 5.696 5.046 1.00 0.00 N ATOM 737 CA LEU A 53 0.091 5.475 3.870 1.00 0.00 C ATOM 738 C LEU A 53 -0.738 6.731 3.591 1.00 0.00 C ATOM 739 O LEU A 53 -1.031 7.502 4.503 1.00 0.00 O ATOM 740 CB LEU A 53 -0.750 4.208 4.036 1.00 0.00 C ATOM 741 CG LEU A 53 -0.176 2.935 3.410 1.00 0.00 C ATOM 742 CD1 LEU A 53 -1.182 1.785 3.486 1.00 0.00 C ATOM 743 CD2 LEU A 53 0.295 3.193 1.977 1.00 0.00 C ATOM 0 H LEU A 53 0.400 5.742 5.925 1.00 0.00 H new ATOM 0 HA LEU A 53 0.716 5.303 2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.897 4.031 5.101 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.734 4.390 3.604 1.00 0.00 H new ATOM 0 HG LEU A 53 0.699 2.635 3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.749 0.892 3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.425 1.582 4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.090 2.060 2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.698 2.272 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.547 3.531 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.069 3.960 1.981 1.00 0.00 H new ATOM 755 N VAL A 54 -1.092 6.898 2.325 1.00 0.00 N ATOM 756 CA VAL A 54 -1.881 8.046 1.914 1.00 0.00 C ATOM 757 C VAL A 54 -2.899 7.609 0.859 1.00 0.00 C ATOM 758 O VAL A 54 -2.524 7.205 -0.241 1.00 0.00 O ATOM 759 CB VAL A 54 -0.959 9.167 1.427 1.00 0.00 C ATOM 760 CG1 VAL A 54 -1.769 10.381 0.966 1.00 0.00 C ATOM 761 CG2 VAL A 54 0.048 9.558 2.509 1.00 0.00 C ATOM 0 H VAL A 54 -0.847 6.257 1.570 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.441 8.447 2.759 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.400 8.792 0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.090 11.163 0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.427 10.090 0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.367 10.756 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.690 10.356 2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.485 9.905 3.394 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.658 8.693 2.768 1.00 0.00 H new ATOM 771 N GLU A 55 -4.167 7.705 1.231 1.00 0.00 N ATOM 772 CA GLU A 55 -5.242 7.324 0.331 1.00 0.00 C ATOM 773 C GLU A 55 -5.395 8.362 -0.783 1.00 0.00 C ATOM 774 O GLU A 55 -5.696 9.525 -0.515 1.00 0.00 O ATOM 775 CB GLU A 55 -6.556 7.140 1.093 1.00 0.00 C ATOM 776 CG GLU A 55 -7.132 8.489 1.527 1.00 0.00 C ATOM 777 CD GLU A 55 -7.796 8.385 2.901 1.00 0.00 C ATOM 778 OE1 GLU A 55 -7.235 7.656 3.748 1.00 0.00 O ATOM 779 OE2 GLU A 55 -8.848 9.037 3.074 1.00 0.00 O ATOM 0 H GLU A 55 -4.474 8.041 2.144 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.987 6.367 -0.124 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.276 6.619 0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.388 6.514 1.969 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.337 9.234 1.559 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.861 8.831 0.792 1.00 0.00 H new ATOM 786 N CYS A 56 -5.181 7.906 -2.008 1.00 0.00 N ATOM 787 CA CYS A 56 -5.291 8.780 -3.162 1.00 0.00 C ATOM 788 C CYS A 56 -6.648 8.534 -3.824 1.00 0.00 C ATOM 789 O CYS A 56 -7.124 7.401 -3.870 1.00 0.00 O ATOM 790 CB CYS A 56 -4.133 8.573 -4.142 1.00 0.00 C ATOM 791 SG CYS A 56 -2.890 9.900 -3.930 1.00 0.00 S ATOM 0 H CYS A 56 -4.932 6.941 -2.226 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.227 9.819 -2.840 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.671 7.600 -3.972 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.507 8.574 -5.166 1.00 0.00 H new ATOM 0 HG CYS A 56 -3.179 10.894 -4.716 1.00 0.00 H new ATOM 797 N HIS A 57 -7.234 9.615 -4.320 1.00 0.00 N ATOM 798 CA HIS A 57 -8.527 9.530 -4.976 1.00 0.00 C ATOM 799 C HIS A 57 -8.369 9.848 -6.464 1.00 0.00 C ATOM 800 O HIS A 57 -8.384 11.013 -6.859 1.00 0.00 O ATOM 801 CB HIS A 57 -9.549 10.434 -4.282 1.00 0.00 C ATOM 802 CG HIS A 57 -9.948 9.963 -2.904 1.00 0.00 C ATOM 803 ND1 HIS A 57 -10.221 8.638 -2.613 1.00 0.00 N ATOM 804 CD2 HIS A 57 -10.117 10.655 -1.740 1.00 0.00 C ATOM 805 CE1 HIS A 57 -10.539 8.548 -1.331 1.00 0.00 C ATOM 806 NE2 HIS A 57 -10.474 9.799 -0.791 1.00 0.00 N ATOM 0 H HIS A 57 -6.837 10.554 -4.280 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.913 8.514 -4.896 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.137 11.440 -4.206 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -10.441 10.502 -4.904 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.983 11.719 -1.613 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.804 7.643 -0.805 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -10.668 10.037 0.182 1.00 0.00 H new ATOM 814 N PRO A 58 -8.217 8.764 -7.271 1.00 0.00 N ATOM 815 CA PRO A 58 -8.056 8.916 -8.707 1.00 0.00 C ATOM 816 C PRO A 58 -9.387 9.267 -9.373 1.00 0.00 C ATOM 817 O PRO A 58 -9.840 8.563 -10.274 1.00 0.00 O ATOM 818 CB PRO A 58 -7.486 7.588 -9.181 1.00 0.00 C ATOM 819 CG PRO A 58 -7.784 6.588 -8.076 1.00 0.00 C ATOM 820 CD PRO A 58 -8.194 7.369 -6.838 1.00 0.00 C ATOM 0 HA PRO A 58 -7.390 9.737 -8.972 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.944 7.280 -10.121 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.413 7.665 -9.359 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.581 5.909 -8.380 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.906 5.976 -7.868 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.171 7.051 -6.475 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.486 7.219 -6.023 1.00 0.00 H new ATOM 828 N HIS A 59 -9.977 10.357 -8.905 1.00 0.00 N ATOM 829 CA HIS A 59 -11.248 10.811 -9.445 1.00 0.00 C ATOM 830 C HIS A 59 -11.541 12.227 -8.945 1.00 0.00 C ATOM 831 O HIS A 59 -12.005 13.075 -9.706 1.00 0.00 O ATOM 832 CB HIS A 59 -12.365 9.821 -9.110 1.00 0.00 C ATOM 833 CG HIS A 59 -12.435 9.444 -7.649 1.00 0.00 C ATOM 834 ND1 HIS A 59 -11.350 8.942 -6.952 1.00 0.00 N ATOM 835 CD2 HIS A 59 -13.469 9.503 -6.762 1.00 0.00 C ATOM 836 CE1 HIS A 59 -11.726 8.711 -5.703 1.00 0.00 C ATOM 837 NE2 HIS A 59 -13.040 9.059 -5.587 1.00 0.00 N ATOM 0 H HIS A 59 -9.599 10.939 -8.158 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.192 10.851 -10.533 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.320 10.252 -9.409 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.224 8.916 -9.702 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.468 9.852 -6.979 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.102 8.316 -4.915 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.600 8.989 -4.738 1.00 0.00 H new ATOM 845 N LEU A 60 -11.258 12.440 -7.668 1.00 0.00 N ATOM 846 CA LEU A 60 -11.485 13.739 -7.057 1.00 0.00 C ATOM 847 C LEU A 60 -10.150 14.473 -6.919 1.00 0.00 C ATOM 848 O LEU A 60 -10.108 15.608 -6.445 1.00 0.00 O ATOM 849 CB LEU A 60 -12.242 13.585 -5.737 1.00 0.00 C ATOM 850 CG LEU A 60 -13.132 12.346 -5.614 1.00 0.00 C ATOM 851 CD1 LEU A 60 -13.867 12.329 -4.272 1.00 0.00 C ATOM 852 CD2 LEU A 60 -14.097 12.244 -6.797 1.00 0.00 C ATOM 0 H LEU A 60 -10.873 11.735 -7.040 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.122 14.353 -7.693 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.516 13.568 -4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.862 14.469 -5.592 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.493 11.463 -5.642 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.492 11.438 -4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.141 12.319 -3.459 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.493 13.218 -4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.718 11.355 -6.685 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.733 13.129 -6.825 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.529 12.175 -7.725 1.00 0.00 H new ATOM 864 N ALA A 61 -9.092 13.797 -7.341 1.00 0.00 N ATOM 865 CA ALA A 61 -7.760 14.371 -7.270 1.00 0.00 C ATOM 866 C ALA A 61 -7.489 14.846 -5.841 1.00 0.00 C ATOM 867 O ALA A 61 -7.016 15.963 -5.633 1.00 0.00 O ATOM 868 CB ALA A 61 -7.635 15.501 -8.294 1.00 0.00 C ATOM 0 H ALA A 61 -9.131 12.856 -7.734 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.007 13.623 -7.517 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.635 15.932 -8.240 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.807 15.105 -9.295 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.374 16.272 -8.077 1.00 0.00 H new ATOM 874 N LEU A 62 -7.802 13.975 -4.893 1.00 0.00 N ATOM 875 CA LEU A 62 -7.598 14.292 -3.489 1.00 0.00 C ATOM 876 C LEU A 62 -6.499 13.392 -2.922 1.00 0.00 C ATOM 877 O LEU A 62 -6.171 12.362 -3.508 1.00 0.00 O ATOM 878 CB LEU A 62 -8.920 14.206 -2.724 1.00 0.00 C ATOM 879 CG LEU A 62 -9.254 15.399 -1.826 1.00 0.00 C ATOM 880 CD1 LEU A 62 -8.318 15.455 -0.617 1.00 0.00 C ATOM 881 CD2 LEU A 62 -9.241 16.705 -2.623 1.00 0.00 C ATOM 0 H LEU A 62 -8.195 13.050 -5.069 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.257 15.321 -3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.727 14.083 -3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.903 13.307 -2.108 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.266 15.266 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.577 16.312 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.421 14.540 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.288 15.553 -0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.481 17.537 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.252 16.858 -3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.981 16.651 -3.422 1.00 0.00 H new ATOM 893 N GLU A 63 -5.960 13.814 -1.787 1.00 0.00 N ATOM 894 CA GLU A 63 -4.905 13.058 -1.134 1.00 0.00 C ATOM 895 C GLU A 63 -5.028 13.180 0.387 1.00 0.00 C ATOM 896 O GLU A 63 -4.741 14.232 0.954 1.00 0.00 O ATOM 897 CB GLU A 63 -3.526 13.518 -1.610 1.00 0.00 C ATOM 898 CG GLU A 63 -3.286 13.116 -3.067 1.00 0.00 C ATOM 899 CD GLU A 63 -3.666 14.252 -4.019 1.00 0.00 C ATOM 900 OE1 GLU A 63 -3.414 15.416 -3.642 1.00 0.00 O ATOM 901 OE2 GLU A 63 -4.199 13.929 -5.103 1.00 0.00 O ATOM 0 H GLU A 63 -6.234 14.669 -1.304 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.016 12.008 -1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.445 14.600 -1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.754 13.081 -0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.237 12.854 -3.208 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.871 12.227 -3.304 1.00 0.00 H new ATOM 908 N ARG A 64 -5.456 12.087 1.003 1.00 0.00 N ATOM 909 CA ARG A 64 -5.621 12.058 2.446 1.00 0.00 C ATOM 910 C ARG A 64 -4.670 11.034 3.068 1.00 0.00 C ATOM 911 O ARG A 64 -4.502 9.936 2.539 1.00 0.00 O ATOM 912 CB ARG A 64 -7.060 11.707 2.829 1.00 0.00 C ATOM 913 CG ARG A 64 -7.248 11.747 4.347 1.00 0.00 C ATOM 914 CD ARG A 64 -8.697 11.437 4.727 1.00 0.00 C ATOM 915 NE ARG A 64 -8.767 10.143 5.442 1.00 0.00 N ATOM 916 CZ ARG A 64 -8.514 9.992 6.750 1.00 0.00 C ATOM 917 NH1 ARG A 64 -8.173 11.054 7.493 1.00 0.00 N ATOM 918 NH2 ARG A 64 -8.602 8.780 7.314 1.00 0.00 N ATOM 0 H ARG A 64 -5.693 11.216 0.529 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.389 13.053 2.827 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.748 12.408 2.355 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.308 10.714 2.454 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.582 11.025 4.819 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.971 12.731 4.726 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.094 12.232 5.358 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.317 11.401 3.831 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.024 9.314 4.906 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.106 11.977 7.063 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.980 10.940 8.488 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.861 7.972 6.748 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.409 8.665 8.309 1.00 0.00 H new ATOM 932 N GLY A 65 -4.072 11.429 4.183 1.00 0.00 N ATOM 933 CA GLY A 65 -3.143 10.559 4.883 1.00 0.00 C ATOM 934 C GLY A 65 -3.790 9.955 6.131 1.00 0.00 C ATOM 935 O GLY A 65 -4.404 10.669 6.923 1.00 0.00 O ATOM 0 H GLY A 65 -4.213 12.340 4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.815 9.761 4.217 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.255 11.123 5.167 1.00 0.00 H new ATOM 939 N LEU A 66 -3.632 8.647 6.267 1.00 0.00 N ATOM 940 CA LEU A 66 -4.194 7.940 7.405 1.00 0.00 C ATOM 941 C LEU A 66 -3.063 7.515 8.345 1.00 0.00 C ATOM 942 O LEU A 66 -1.921 7.360 7.917 1.00 0.00 O ATOM 943 CB LEU A 66 -5.071 6.778 6.934 1.00 0.00 C ATOM 944 CG LEU A 66 -4.409 5.782 5.980 1.00 0.00 C ATOM 945 CD1 LEU A 66 -4.936 4.365 6.214 1.00 0.00 C ATOM 946 CD2 LEU A 66 -4.578 6.223 4.524 1.00 0.00 C ATOM 0 H LEU A 66 -3.123 8.058 5.608 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.853 8.596 7.974 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.420 6.233 7.811 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.953 7.190 6.443 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.340 5.766 6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.449 3.677 5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.722 4.062 7.239 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.013 4.345 6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.099 5.498 3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.639 6.285 4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.117 7.201 4.384 1.00 0.00 H new ATOM 958 N GLU A 67 -3.421 7.340 9.608 1.00 0.00 N ATOM 959 CA GLU A 67 -2.451 6.937 10.612 1.00 0.00 C ATOM 960 C GLU A 67 -2.008 5.492 10.372 1.00 0.00 C ATOM 961 O GLU A 67 -2.373 4.886 9.365 1.00 0.00 O ATOM 962 CB GLU A 67 -3.018 7.109 12.023 1.00 0.00 C ATOM 963 CG GLU A 67 -2.990 8.578 12.449 1.00 0.00 C ATOM 964 CD GLU A 67 -3.633 8.763 13.825 1.00 0.00 C ATOM 965 OE1 GLU A 67 -3.153 8.099 14.769 1.00 0.00 O ATOM 966 OE2 GLU A 67 -4.591 9.563 13.901 1.00 0.00 O ATOM 0 H GLU A 67 -4.370 7.470 9.959 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.578 7.584 10.525 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.042 6.737 12.055 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.439 6.511 12.727 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.960 8.933 12.474 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.518 9.184 11.713 1.00 0.00 H new ATOM 973 N ASP A 68 -1.228 4.982 11.314 1.00 0.00 N ATOM 974 CA ASP A 68 -0.732 3.619 11.217 1.00 0.00 C ATOM 975 C ASP A 68 -1.772 2.660 11.798 1.00 0.00 C ATOM 976 O ASP A 68 -2.173 1.700 11.140 1.00 0.00 O ATOM 977 CB ASP A 68 0.564 3.448 12.011 1.00 0.00 C ATOM 978 CG ASP A 68 0.976 4.661 12.848 1.00 0.00 C ATOM 979 OD1 ASP A 68 1.123 5.745 12.242 1.00 0.00 O ATOM 980 OD2 ASP A 68 1.133 4.478 14.074 1.00 0.00 O ATOM 0 H ASP A 68 -0.927 5.487 12.147 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.543 3.403 10.166 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.456 2.589 12.673 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.370 3.215 11.315 1.00 0.00 H new ATOM 985 N HIS A 69 -2.181 2.952 13.024 1.00 0.00 N ATOM 986 CA HIS A 69 -3.167 2.127 13.701 1.00 0.00 C ATOM 987 C HIS A 69 -4.361 1.889 12.774 1.00 0.00 C ATOM 988 O HIS A 69 -4.991 0.834 12.825 1.00 0.00 O ATOM 989 CB HIS A 69 -3.570 2.749 15.039 1.00 0.00 C ATOM 990 CG HIS A 69 -4.555 3.887 14.915 1.00 0.00 C ATOM 991 ND1 HIS A 69 -4.174 5.176 14.586 1.00 0.00 N ATOM 992 CD2 HIS A 69 -5.909 3.916 15.078 1.00 0.00 C ATOM 993 CE1 HIS A 69 -5.257 5.938 14.556 1.00 0.00 C ATOM 994 NE2 HIS A 69 -6.332 5.155 14.862 1.00 0.00 N ATOM 0 H HIS A 69 -1.847 3.749 13.566 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.733 1.155 13.935 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -4.003 1.975 15.672 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.674 3.110 15.544 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.532 3.073 15.339 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.284 6.994 14.329 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -7.301 5.470 14.916 1.00 0.00 H new ATOM 1002 N GLU A 70 -4.635 2.888 11.948 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.742 2.802 11.010 1.00 0.00 C ATOM 1004 C GLU A 70 -5.613 1.542 10.151 1.00 0.00 C ATOM 1005 O GLU A 70 -4.573 1.309 9.538 1.00 0.00 O ATOM 1006 CB GLU A 70 -5.821 4.055 10.137 1.00 0.00 C ATOM 1007 CG GLU A 70 -6.343 5.250 10.938 1.00 0.00 C ATOM 1008 CD GLU A 70 -7.872 5.250 10.990 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -8.435 4.141 11.118 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -8.443 6.358 10.900 1.00 0.00 O ATOM 0 H GLU A 70 -4.110 3.761 11.909 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.670 2.737 11.579 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.834 4.285 9.735 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.476 3.869 9.286 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.941 5.217 11.951 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.991 6.177 10.486 1.00 0.00 H new ATOM 1017 N SER A 71 -6.685 0.763 10.135 1.00 0.00 N ATOM 1018 CA SER A 71 -6.704 -0.466 9.361 1.00 0.00 C ATOM 1019 C SER A 71 -6.922 -0.150 7.880 1.00 0.00 C ATOM 1020 O SER A 71 -8.025 0.215 7.476 1.00 0.00 O ATOM 1021 CB SER A 71 -7.791 -1.418 9.866 1.00 0.00 C ATOM 1022 OG SER A 71 -7.251 -2.474 10.656 1.00 0.00 O ATOM 0 H SER A 71 -7.546 0.959 10.645 1.00 0.00 H new ATOM 0 HA SER A 71 -5.740 -0.960 9.482 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.517 -0.859 10.456 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.328 -1.839 9.016 1.00 0.00 H new ATOM 0 HG SER A 71 -6.479 -2.865 10.196 1.00 0.00 H new ATOM 1028 N VAL A 72 -5.854 -0.301 7.112 1.00 0.00 N ATOM 1029 CA VAL A 72 -5.914 -0.035 5.685 1.00 0.00 C ATOM 1030 C VAL A 72 -7.234 -0.571 5.126 1.00 0.00 C ATOM 1031 O VAL A 72 -7.898 0.103 4.339 1.00 0.00 O ATOM 1032 CB VAL A 72 -4.687 -0.628 4.989 1.00 0.00 C ATOM 1033 CG1 VAL A 72 -3.543 0.386 4.939 1.00 0.00 C ATOM 1034 CG2 VAL A 72 -4.243 -1.923 5.672 1.00 0.00 C ATOM 0 H VAL A 72 -4.941 -0.604 7.451 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.891 1.038 5.496 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.966 -0.869 3.963 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.683 -0.060 4.440 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.864 1.270 4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.265 0.672 5.954 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.369 -2.324 5.158 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.990 -1.717 6.712 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.053 -2.651 5.633 1.00 0.00 H new ATOM 1044 N VAL A 73 -7.576 -1.776 5.556 1.00 0.00 N ATOM 1045 CA VAL A 73 -8.805 -2.410 5.109 1.00 0.00 C ATOM 1046 C VAL A 73 -10.000 -1.562 5.550 1.00 0.00 C ATOM 1047 O VAL A 73 -10.720 -1.015 4.716 1.00 0.00 O ATOM 1048 CB VAL A 73 -8.870 -3.849 5.625 1.00 0.00 C ATOM 1049 CG1 VAL A 73 -10.175 -4.525 5.201 1.00 0.00 C ATOM 1050 CG2 VAL A 73 -7.657 -4.654 5.155 1.00 0.00 C ATOM 0 H VAL A 73 -7.023 -2.331 6.210 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.831 -2.468 4.021 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.849 -3.816 6.714 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.196 -5.547 5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.021 -3.970 5.607 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -10.240 -4.541 4.113 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.727 -5.673 5.535 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.634 -4.674 4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.745 -4.189 5.529 1.00 0.00 H new ATOM 1060 N GLU A 74 -10.175 -1.480 6.861 1.00 0.00 N ATOM 1061 CA GLU A 74 -11.270 -0.709 7.423 1.00 0.00 C ATOM 1062 C GLU A 74 -11.351 0.665 6.754 1.00 0.00 C ATOM 1063 O GLU A 74 -12.414 1.282 6.721 1.00 0.00 O ATOM 1064 CB GLU A 74 -11.123 -0.572 8.940 1.00 0.00 C ATOM 1065 CG GLU A 74 -11.352 -1.915 9.636 1.00 0.00 C ATOM 1066 CD GLU A 74 -11.870 -1.712 11.062 1.00 0.00 C ATOM 1067 OE1 GLU A 74 -13.060 -1.353 11.187 1.00 0.00 O ATOM 1068 OE2 GLU A 74 -11.063 -1.922 11.994 1.00 0.00 O ATOM 0 H GLU A 74 -9.576 -1.935 7.550 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.201 -1.242 7.228 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.127 -0.199 9.180 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.837 0.162 9.313 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.068 -2.507 9.066 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.420 -2.480 9.661 1.00 0.00 H new ATOM 1075 N VAL A 75 -10.212 1.103 6.238 1.00 0.00 N ATOM 1076 CA VAL A 75 -10.140 2.392 5.571 1.00 0.00 C ATOM 1077 C VAL A 75 -10.520 2.223 4.099 1.00 0.00 C ATOM 1078 O VAL A 75 -11.242 3.048 3.541 1.00 0.00 O ATOM 1079 CB VAL A 75 -8.751 3.004 5.764 1.00 0.00 C ATOM 1080 CG1 VAL A 75 -8.618 4.318 4.991 1.00 0.00 C ATOM 1081 CG2 VAL A 75 -8.442 3.207 7.248 1.00 0.00 C ATOM 0 H VAL A 75 -9.332 0.588 6.268 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.852 3.090 6.011 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.018 2.304 5.363 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.621 4.732 5.145 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.773 4.132 3.928 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.365 5.027 5.348 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.449 3.643 7.357 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.182 3.877 7.685 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.474 2.246 7.761 1.00 0.00 H new ATOM 1091 N GLN A 76 -10.017 1.147 3.512 1.00 0.00 N ATOM 1092 CA GLN A 76 -10.295 0.858 2.115 1.00 0.00 C ATOM 1093 C GLN A 76 -11.696 0.263 1.964 1.00 0.00 C ATOM 1094 O GLN A 76 -12.164 0.042 0.848 1.00 0.00 O ATOM 1095 CB GLN A 76 -9.236 -0.076 1.527 1.00 0.00 C ATOM 1096 CG GLN A 76 -9.667 -1.539 1.649 1.00 0.00 C ATOM 1097 CD GLN A 76 -8.502 -2.482 1.339 1.00 0.00 C ATOM 1098 OE1 GLN A 76 -7.657 -2.760 2.173 1.00 0.00 O ATOM 1099 NE2 GLN A 76 -8.506 -2.956 0.096 1.00 0.00 N ATOM 0 H GLN A 76 -9.419 0.465 3.978 1.00 0.00 H new ATOM 0 HA GLN A 76 -10.257 1.793 1.557 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.069 0.172 0.479 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.288 0.072 2.044 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.036 -1.730 2.657 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.492 -1.737 0.965 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.245 -2.682 -0.552 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.771 -3.593 -0.209 1.00 0.00 H new ATOM 1108 N ALA A 77 -12.327 0.020 3.104 1.00 0.00 N ATOM 1109 CA ALA A 77 -13.665 -0.545 3.113 1.00 0.00 C ATOM 1110 C ALA A 77 -14.688 0.580 3.277 1.00 0.00 C ATOM 1111 O ALA A 77 -15.845 0.433 2.886 1.00 0.00 O ATOM 1112 CB ALA A 77 -13.769 -1.594 4.222 1.00 0.00 C ATOM 0 H ALA A 77 -11.936 0.204 4.028 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.876 -1.047 2.169 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -14.773 -2.018 4.229 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.042 -2.386 4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.566 -1.126 5.185 1.00 0.00 H new ATOM 1118 N ALA A 78 -14.225 1.678 3.855 1.00 0.00 N ATOM 1119 CA ALA A 78 -15.086 2.828 4.076 1.00 0.00 C ATOM 1120 C ALA A 78 -15.247 3.598 2.764 1.00 0.00 C ATOM 1121 O ALA A 78 -16.259 4.263 2.550 1.00 0.00 O ATOM 1122 CB ALA A 78 -14.503 3.695 5.194 1.00 0.00 C ATOM 0 H ALA A 78 -13.265 1.796 4.177 1.00 0.00 H new ATOM 0 HA ALA A 78 -16.078 2.509 4.395 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -15.149 4.557 5.360 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.437 3.110 6.111 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.508 4.036 4.908 1.00 0.00 H new ATOM 1128 N TRP A 79 -14.233 3.483 1.919 1.00 0.00 N ATOM 1129 CA TRP A 79 -14.249 4.160 0.634 1.00 0.00 C ATOM 1130 C TRP A 79 -15.640 3.981 0.022 1.00 0.00 C ATOM 1131 O TRP A 79 -16.281 2.950 0.221 1.00 0.00 O ATOM 1132 CB TRP A 79 -13.127 3.646 -0.271 1.00 0.00 C ATOM 1133 CG TRP A 79 -11.734 4.139 0.124 1.00 0.00 C ATOM 1134 CD1 TRP A 79 -11.418 5.153 0.941 1.00 0.00 C ATOM 1135 CD2 TRP A 79 -10.472 3.594 -0.316 1.00 0.00 C ATOM 1136 NE1 TRP A 79 -10.051 5.301 1.059 1.00 0.00 N ATOM 1137 CE2 TRP A 79 -9.457 4.322 0.270 1.00 0.00 C ATOM 1138 CE3 TRP A 79 -10.197 2.520 -1.181 1.00 0.00 C ATOM 1139 CZ2 TRP A 79 -8.100 4.057 0.055 1.00 0.00 C ATOM 1140 CZ3 TRP A 79 -8.835 2.268 -1.386 1.00 0.00 C ATOM 1141 CH2 TRP A 79 -7.802 2.992 -0.803 1.00 0.00 C ATOM 0 H TRP A 79 -13.395 2.931 2.100 1.00 0.00 H new ATOM 0 HA TRP A 79 -14.058 5.226 0.758 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -13.133 2.556 -0.257 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -13.332 3.952 -1.297 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -12.142 5.776 1.444 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.566 6.000 1.621 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.975 1.936 -1.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.324 4.643 0.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.569 1.454 -2.043 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -6.774 2.734 -1.011 1.00 0.00 H new ATOM 1152 N PRO A 80 -16.076 5.027 -0.730 1.00 0.00 N ATOM 1153 CA PRO A 80 -17.379 4.994 -1.372 1.00 0.00 C ATOM 1154 C PRO A 80 -17.365 4.076 -2.595 1.00 0.00 C ATOM 1155 O PRO A 80 -16.300 3.697 -3.079 1.00 0.00 O ATOM 1156 CB PRO A 80 -17.683 6.443 -1.719 1.00 0.00 C ATOM 1157 CG PRO A 80 -16.348 7.169 -1.682 1.00 0.00 C ATOM 1158 CD PRO A 80 -15.344 6.263 -0.987 1.00 0.00 C ATOM 0 HA PRO A 80 -18.155 4.581 -0.728 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.143 6.521 -2.704 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.384 6.877 -1.005 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -16.014 7.405 -2.692 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.442 8.115 -1.148 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -14.472 6.083 -1.615 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.983 6.709 -0.060 1.00 0.00 H new ATOM 1166 N VAL A 81 -18.561 3.745 -3.061 1.00 0.00 N ATOM 1167 CA VAL A 81 -18.699 2.879 -4.219 1.00 0.00 C ATOM 1168 C VAL A 81 -18.566 3.713 -5.494 1.00 0.00 C ATOM 1169 O VAL A 81 -19.469 4.473 -5.840 1.00 0.00 O ATOM 1170 CB VAL A 81 -20.020 2.111 -4.143 1.00 0.00 C ATOM 1171 CG1 VAL A 81 -21.212 3.046 -4.361 1.00 0.00 C ATOM 1172 CG2 VAL A 81 -20.041 0.954 -5.144 1.00 0.00 C ATOM 0 H VAL A 81 -19.443 4.061 -2.657 1.00 0.00 H new ATOM 0 HA VAL A 81 -17.904 2.133 -4.234 1.00 0.00 H new ATOM 0 HB VAL A 81 -20.104 1.689 -3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -22.138 2.474 -4.302 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -21.213 3.819 -3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -21.135 3.511 -5.344 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -20.991 0.425 -5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -19.922 1.345 -6.155 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -19.225 0.267 -4.923 1.00 0.00 H new ATOM 1182 N GLY A 82 -17.432 3.544 -6.158 1.00 0.00 N ATOM 1183 CA GLY A 82 -17.169 4.272 -7.388 1.00 0.00 C ATOM 1184 C GLY A 82 -15.730 4.791 -7.420 1.00 0.00 C ATOM 1185 O GLY A 82 -14.994 4.532 -8.371 1.00 0.00 O ATOM 0 H GLY A 82 -16.685 2.914 -5.868 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -17.344 3.621 -8.245 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.863 5.108 -7.476 1.00 0.00 H new ATOM 1189 N GLY A 83 -15.372 5.514 -6.369 1.00 0.00 N ATOM 1190 CA GLY A 83 -14.034 6.072 -6.266 1.00 0.00 C ATOM 1191 C GLY A 83 -12.997 4.970 -6.037 1.00 0.00 C ATOM 1192 O GLY A 83 -12.875 4.449 -4.930 1.00 0.00 O ATOM 0 H GLY A 83 -15.985 5.726 -5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.793 6.619 -7.177 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.997 6.788 -5.445 1.00 0.00 H new ATOM 1196 N ASP A 84 -12.277 4.649 -7.101 1.00 0.00 N ATOM 1197 CA ASP A 84 -11.254 3.619 -7.030 1.00 0.00 C ATOM 1198 C ASP A 84 -10.025 4.176 -6.310 1.00 0.00 C ATOM 1199 O ASP A 84 -8.935 4.220 -6.878 1.00 0.00 O ATOM 1200 CB ASP A 84 -10.822 3.175 -8.429 1.00 0.00 C ATOM 1201 CG ASP A 84 -11.676 2.067 -9.048 1.00 0.00 C ATOM 1202 OD1 ASP A 84 -12.893 2.062 -8.764 1.00 0.00 O ATOM 1203 OD2 ASP A 84 -11.092 1.249 -9.792 1.00 0.00 O ATOM 0 H ASP A 84 -12.381 5.084 -8.018 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.670 2.766 -6.494 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.842 4.041 -9.091 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.788 2.833 -8.382 1.00 0.00 H new ATOM 1208 N SER A 85 -10.241 4.588 -5.069 1.00 0.00 N ATOM 1209 CA SER A 85 -9.164 5.140 -4.266 1.00 0.00 C ATOM 1210 C SER A 85 -8.062 4.096 -4.078 1.00 0.00 C ATOM 1211 O SER A 85 -8.329 2.895 -4.104 1.00 0.00 O ATOM 1212 CB SER A 85 -9.680 5.617 -2.906 1.00 0.00 C ATOM 1213 OG SER A 85 -11.026 6.079 -2.979 1.00 0.00 O ATOM 0 H SER A 85 -11.146 4.550 -4.600 1.00 0.00 H new ATOM 0 HA SER A 85 -8.753 6.002 -4.792 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.615 4.801 -2.187 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.041 6.419 -2.536 1.00 0.00 H new ATOM 0 HG SER A 85 -11.033 7.029 -3.220 1.00 0.00 H new ATOM 1219 N ARG A 86 -6.847 4.590 -3.893 1.00 0.00 N ATOM 1220 CA ARG A 86 -5.704 3.714 -3.701 1.00 0.00 C ATOM 1221 C ARG A 86 -4.820 4.236 -2.566 1.00 0.00 C ATOM 1222 O ARG A 86 -5.084 5.300 -2.008 1.00 0.00 O ATOM 1223 CB ARG A 86 -4.870 3.608 -4.980 1.00 0.00 C ATOM 1224 CG ARG A 86 -4.010 4.858 -5.179 1.00 0.00 C ATOM 1225 CD ARG A 86 -3.634 5.036 -6.651 1.00 0.00 C ATOM 1226 NE ARG A 86 -2.271 5.603 -6.760 1.00 0.00 N ATOM 1227 CZ ARG A 86 -1.653 5.856 -7.921 1.00 0.00 C ATOM 1228 NH1 ARG A 86 -2.272 5.593 -9.081 1.00 0.00 N ATOM 1229 NH2 ARG A 86 -0.416 6.372 -7.924 1.00 0.00 N ATOM 0 H ARG A 86 -6.629 5.586 -3.872 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.084 2.725 -3.445 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.231 2.727 -4.930 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.529 3.475 -5.838 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.553 5.736 -4.830 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.105 4.781 -4.576 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.680 4.076 -7.165 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.351 5.695 -7.141 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.771 5.814 -5.896 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.213 5.200 -9.079 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.801 5.786 -9.965 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.055 6.572 -7.042 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.054 6.564 -8.808 1.00 0.00 H new ATOM 1243 N PHE A 87 -3.790 3.462 -2.258 1.00 0.00 N ATOM 1244 CA PHE A 87 -2.866 3.832 -1.200 1.00 0.00 C ATOM 1245 C PHE A 87 -1.501 4.218 -1.774 1.00 0.00 C ATOM 1246 O PHE A 87 -0.795 3.375 -2.325 1.00 0.00 O ATOM 1247 CB PHE A 87 -2.700 2.605 -0.301 1.00 0.00 C ATOM 1248 CG PHE A 87 -3.860 2.385 0.672 1.00 0.00 C ATOM 1249 CD1 PHE A 87 -4.062 3.255 1.697 1.00 0.00 C ATOM 1250 CD2 PHE A 87 -4.689 1.319 0.511 1.00 0.00 C ATOM 1251 CE1 PHE A 87 -5.139 3.050 2.600 1.00 0.00 C ATOM 1252 CE2 PHE A 87 -5.766 1.114 1.414 1.00 0.00 C ATOM 1253 CZ PHE A 87 -5.968 1.984 2.439 1.00 0.00 C ATOM 0 H PHE A 87 -3.575 2.580 -2.723 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.254 4.689 -0.650 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.592 1.720 -0.928 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.776 2.707 0.268 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.404 4.102 1.825 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.528 0.628 -0.304 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.300 3.741 3.415 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.424 0.267 1.286 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.787 1.829 3.126 1.00 0.00 H new ATOM 1263 N VAL A 88 -1.170 5.492 -1.624 1.00 0.00 N ATOM 1264 CA VAL A 88 0.098 6.000 -2.120 1.00 0.00 C ATOM 1265 C VAL A 88 1.085 6.119 -0.957 1.00 0.00 C ATOM 1266 O VAL A 88 0.762 6.697 0.079 1.00 0.00 O ATOM 1267 CB VAL A 88 -0.121 7.323 -2.857 1.00 0.00 C ATOM 1268 CG1 VAL A 88 1.212 8.019 -3.139 1.00 0.00 C ATOM 1269 CG2 VAL A 88 -0.912 7.107 -4.149 1.00 0.00 C ATOM 0 H VAL A 88 -1.758 6.188 -1.166 1.00 0.00 H new ATOM 0 HA VAL A 88 0.530 5.308 -2.843 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.709 7.974 -2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.029 8.957 -3.663 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.722 8.223 -2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.836 7.373 -3.757 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.054 8.063 -4.653 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.363 6.430 -4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.884 6.674 -3.912 1.00 0.00 H new ATOM 1279 N PHE A 89 2.269 5.562 -1.169 1.00 0.00 N ATOM 1280 CA PHE A 89 3.305 5.598 -0.151 1.00 0.00 C ATOM 1281 C PHE A 89 4.204 6.824 -0.328 1.00 0.00 C ATOM 1282 O PHE A 89 4.906 6.944 -1.330 1.00 0.00 O ATOM 1283 CB PHE A 89 4.148 4.333 -0.326 1.00 0.00 C ATOM 1284 CG PHE A 89 4.919 3.922 0.930 1.00 0.00 C ATOM 1285 CD1 PHE A 89 4.321 3.992 2.149 1.00 0.00 C ATOM 1286 CD2 PHE A 89 6.204 3.486 0.826 1.00 0.00 C ATOM 1287 CE1 PHE A 89 5.038 3.610 3.314 1.00 0.00 C ATOM 1288 CE2 PHE A 89 6.920 3.104 1.991 1.00 0.00 C ATOM 1289 CZ PHE A 89 6.322 3.174 3.211 1.00 0.00 C ATOM 0 H PHE A 89 2.533 5.084 -2.030 1.00 0.00 H new ATOM 0 HA PHE A 89 2.853 5.652 0.839 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.496 3.512 -0.625 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.856 4.490 -1.140 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.301 4.338 2.231 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.679 3.431 -0.142 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.563 3.666 4.282 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.940 2.758 1.909 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.867 2.883 4.097 1.00 0.00 H new ATOM 1299 N ARG A 90 4.153 7.703 0.662 1.00 0.00 N ATOM 1300 CA ARG A 90 4.953 8.915 0.629 1.00 0.00 C ATOM 1301 C ARG A 90 5.423 9.280 2.039 1.00 0.00 C ATOM 1302 O ARG A 90 4.851 8.820 3.026 1.00 0.00 O ATOM 1303 CB ARG A 90 4.158 10.085 0.046 1.00 0.00 C ATOM 1304 CG ARG A 90 2.770 10.175 0.682 1.00 0.00 C ATOM 1305 CD ARG A 90 1.745 10.724 -0.313 1.00 0.00 C ATOM 1306 NE ARG A 90 2.171 12.057 -0.795 1.00 0.00 N ATOM 1307 CZ ARG A 90 2.816 12.267 -1.951 1.00 0.00 C ATOM 1308 NH1 ARG A 90 3.114 11.234 -2.750 1.00 0.00 N ATOM 1309 NH2 ARG A 90 3.164 13.511 -2.307 1.00 0.00 N ATOM 0 H ARG A 90 3.570 7.600 1.492 1.00 0.00 H new ATOM 0 HA ARG A 90 5.817 8.724 -0.008 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.699 11.016 0.213 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.060 9.962 -1.033 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.458 9.188 1.024 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.810 10.819 1.561 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.641 10.040 -1.155 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.767 10.796 0.162 1.00 0.00 H new ATOM 0 HE ARG A 90 1.961 12.866 -0.211 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.850 10.287 -2.479 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.605 11.395 -3.630 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.938 14.298 -1.698 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.655 13.671 -3.187 1.00 0.00 H new ATOM 1323 N LYS A 91 6.460 10.103 2.088 1.00 0.00 N ATOM 1324 CA LYS A 91 7.013 10.534 3.361 1.00 0.00 C ATOM 1325 C LYS A 91 6.666 12.007 3.590 1.00 0.00 C ATOM 1326 O LYS A 91 6.631 12.470 4.728 1.00 0.00 O ATOM 1327 CB LYS A 91 8.513 10.239 3.421 1.00 0.00 C ATOM 1328 CG LYS A 91 9.299 11.216 2.544 1.00 0.00 C ATOM 1329 CD LYS A 91 10.489 10.521 1.878 1.00 0.00 C ATOM 1330 CE LYS A 91 11.586 10.215 2.899 1.00 0.00 C ATOM 1331 NZ LYS A 91 12.678 11.209 2.799 1.00 0.00 N ATOM 0 H LYS A 91 6.932 10.483 1.267 1.00 0.00 H new ATOM 0 HA LYS A 91 6.568 9.970 4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.860 10.310 4.452 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.700 9.217 3.091 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.643 11.633 1.780 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.653 12.050 3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.157 9.596 1.407 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.890 11.156 1.087 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.168 10.225 3.905 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.981 9.213 2.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.415 10.987 3.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.088 11.180 1.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.300 12.160 2.984 1.00 0.00 H new ATOM 1345 N ASN A 92 6.419 12.701 2.489 1.00 0.00 N ATOM 1346 CA ASN A 92 6.076 14.112 2.555 1.00 0.00 C ATOM 1347 C ASN A 92 4.720 14.335 1.883 1.00 0.00 C ATOM 1348 O ASN A 92 4.655 14.808 0.749 1.00 0.00 O ATOM 1349 CB ASN A 92 7.113 14.965 1.822 1.00 0.00 C ATOM 1350 CG ASN A 92 8.160 15.512 2.795 1.00 0.00 C ATOM 1351 OD1 ASN A 92 8.257 15.099 3.939 1.00 0.00 O ATOM 1352 ND2 ASN A 92 8.935 16.461 2.279 1.00 0.00 N ATOM 0 H ASN A 92 6.449 12.313 1.546 1.00 0.00 H new ATOM 0 HA ASN A 92 6.046 14.403 3.605 1.00 0.00 H new ATOM 0 HB2 ASN A 92 7.603 14.367 1.053 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.616 15.792 1.314 1.00 0.00 H new ATOM 0 HD21 ASN A 92 9.664 16.890 2.849 1.00 0.00 H new ATOM 0 HD22 ASN A 92 8.800 16.760 1.313 1.00 0.00 H new ATOM 1359 N PHE A 93 3.670 13.983 2.610 1.00 0.00 N ATOM 1360 CA PHE A 93 2.319 14.138 2.098 1.00 0.00 C ATOM 1361 C PHE A 93 1.621 15.335 2.747 1.00 0.00 C ATOM 1362 O PHE A 93 1.567 15.438 3.972 1.00 0.00 O ATOM 1363 CB PHE A 93 1.555 12.862 2.457 1.00 0.00 C ATOM 1364 CG PHE A 93 0.373 13.089 3.402 1.00 0.00 C ATOM 1365 CD1 PHE A 93 -0.835 13.463 2.902 1.00 0.00 C ATOM 1366 CD2 PHE A 93 0.531 12.917 4.741 1.00 0.00 C ATOM 1367 CE1 PHE A 93 -1.932 13.673 3.779 1.00 0.00 C ATOM 1368 CE2 PHE A 93 -0.566 13.127 5.619 1.00 0.00 C ATOM 1369 CZ PHE A 93 -1.774 13.501 5.118 1.00 0.00 C ATOM 0 H PHE A 93 3.727 13.591 3.550 1.00 0.00 H new ATOM 0 HA PHE A 93 2.346 14.307 1.021 1.00 0.00 H new ATOM 0 HB2 PHE A 93 1.190 12.399 1.540 1.00 0.00 H new ATOM 0 HB3 PHE A 93 2.245 12.155 2.918 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.960 13.600 1.838 1.00 0.00 H new ATOM 0 HD2 PHE A 93 1.491 12.621 5.138 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -2.892 13.969 3.382 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.441 12.990 6.683 1.00 0.00 H new ATOM 0 HZ PHE A 93 -2.608 13.661 5.785 1.00 0.00 H new ATOM 1379 N ALA A 94 1.105 16.211 1.898 1.00 0.00 N ATOM 1380 CA ALA A 94 0.413 17.397 2.373 1.00 0.00 C ATOM 1381 C ALA A 94 -0.446 17.968 1.243 1.00 0.00 C ATOM 1382 O ALA A 94 -1.600 18.334 1.460 1.00 0.00 O ATOM 1383 CB ALA A 94 1.434 18.408 2.898 1.00 0.00 C ATOM 0 H ALA A 94 1.152 16.123 0.883 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.253 17.148 3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.915 19.298 3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.997 17.964 3.718 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.118 18.684 2.096 1.00 0.00 H new ATOM 1389 N SER A 95 0.151 18.028 0.062 1.00 0.00 N ATOM 1390 CA SER A 95 -0.545 18.549 -1.103 1.00 0.00 C ATOM 1391 C SER A 95 -0.085 17.810 -2.361 1.00 0.00 C ATOM 1392 O SER A 95 0.789 18.289 -3.082 1.00 0.00 O ATOM 1393 CB SER A 95 -0.312 20.053 -1.256 1.00 0.00 C ATOM 1394 OG SER A 95 -1.314 20.819 -0.591 1.00 0.00 O ATOM 0 H SER A 95 1.109 17.725 -0.114 1.00 0.00 H new ATOM 0 HA SER A 95 -1.614 18.386 -0.964 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.668 20.311 -0.854 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.300 20.312 -2.315 1.00 0.00 H new ATOM 0 HG SER A 95 -1.674 20.304 0.161 1.00 0.00 H new ATOM 1400 N GLY A 96 -0.695 16.656 -2.587 1.00 0.00 N ATOM 1401 CA GLY A 96 -0.359 15.846 -3.746 1.00 0.00 C ATOM 1402 C GLY A 96 -0.354 16.690 -5.022 1.00 0.00 C ATOM 1403 O GLY A 96 -0.671 17.878 -4.986 1.00 0.00 O ATOM 0 H GLY A 96 -1.420 16.262 -1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.621 15.390 -3.604 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.078 15.033 -3.846 1.00 0.00 H new ATOM 1407 N PRO A 97 0.019 16.027 -6.149 1.00 0.00 N ATOM 1408 CA PRO A 97 0.070 16.703 -7.434 1.00 0.00 C ATOM 1409 C PRO A 97 -1.337 16.928 -7.991 1.00 0.00 C ATOM 1410 O PRO A 97 -1.908 16.040 -8.621 1.00 0.00 O ATOM 1411 CB PRO A 97 0.922 15.806 -8.317 1.00 0.00 C ATOM 1412 CG PRO A 97 0.930 14.444 -7.643 1.00 0.00 C ATOM 1413 CD PRO A 97 0.401 14.620 -6.229 1.00 0.00 C ATOM 0 HA PRO A 97 0.503 17.701 -7.367 1.00 0.00 H new ATOM 0 HB2 PRO A 97 0.508 15.741 -9.323 1.00 0.00 H new ATOM 0 HB3 PRO A 97 1.934 16.200 -8.413 1.00 0.00 H new ATOM 0 HG2 PRO A 97 0.310 13.740 -8.198 1.00 0.00 H new ATOM 0 HG3 PRO A 97 1.939 14.033 -7.624 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -0.451 13.967 -6.041 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.161 14.373 -5.488 1.00 0.00 H new ATOM 1421 N SER A 98 -1.855 18.121 -7.738 1.00 0.00 N ATOM 1422 CA SER A 98 -3.184 18.475 -8.206 1.00 0.00 C ATOM 1423 C SER A 98 -3.083 19.469 -9.364 1.00 0.00 C ATOM 1424 O SER A 98 -3.625 19.228 -10.443 1.00 0.00 O ATOM 1425 CB SER A 98 -4.029 19.062 -7.074 1.00 0.00 C ATOM 1426 OG SER A 98 -4.074 18.202 -5.939 1.00 0.00 O ATOM 0 H SER A 98 -1.378 18.855 -7.215 1.00 0.00 H new ATOM 0 HA SER A 98 -3.676 17.568 -8.556 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.620 20.029 -6.780 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.042 19.241 -7.434 1.00 0.00 H new ATOM 0 HG SER A 98 -4.622 18.614 -5.238 1.00 0.00 H new ATOM 1432 N SER A 99 -2.387 20.566 -9.102 1.00 0.00 N ATOM 1433 CA SER A 99 -2.209 21.597 -10.110 1.00 0.00 C ATOM 1434 C SER A 99 -3.568 22.167 -10.521 1.00 0.00 C ATOM 1435 O SER A 99 -4.336 21.508 -11.219 1.00 0.00 O ATOM 1436 CB SER A 99 -1.470 21.051 -11.333 1.00 0.00 C ATOM 1437 OG SER A 99 -0.099 21.437 -11.345 1.00 0.00 O ATOM 0 H SER A 99 -1.940 20.763 -8.207 1.00 0.00 H new ATOM 0 HA SER A 99 -1.603 22.394 -9.680 1.00 0.00 H new ATOM 0 HB2 SER A 99 -1.540 19.963 -11.343 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.956 21.410 -12.240 1.00 0.00 H new ATOM 0 HG SER A 99 0.338 21.067 -12.140 1.00 0.00 H new ATOM 1443 N GLY A 100 -3.823 23.387 -10.071 1.00 0.00 N ATOM 1444 CA GLY A 100 -5.075 24.054 -10.384 1.00 0.00 C ATOM 1445 C GLY A 100 -4.897 25.043 -11.538 1.00 0.00 C ATOM 1446 O GLY A 100 -5.569 24.934 -12.563 1.00 0.00 O ATOM 0 H GLY A 100 -3.183 23.931 -9.492 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.829 23.313 -10.649 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.441 24.581 -9.502 1.00 0.00 H new TER 1450 GLY A 100