USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 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= -0.135 K(o=-12,f=-23!) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -12.4! C(o=-12!,f=-13!) USER MOD Set 1.3: A 85 SER OG : rot -62:sc= 0.544 USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc= 0.0091 USER MOD Set 2.2: A 34 HIS : no HD1:sc= 0 X(o=0.0091,f=-0.015) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 44:sc=0.000325 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 HD1:sc= -0.104 X(o=-0.1,f=0) 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 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 30:sc= -0.361 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 67:sc= -1.52 USER MOD Single : A 38 MET CE :methyl -145:sc= -1.07 (180deg=-2.57!) USER MOD Single : A 41 GLN : amide:sc= -1.66! C(o=-1.7!,f=-2.3!) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 70:sc= 0.0691 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0671 USER MOD Single : A 56 CYS SG : rot -170:sc= -1.94 USER MOD Single : A 69 HIS : no HD1:sc= -0.139 K(o=-0.14,f=-0.74) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -1.45 K(o=-1.4,f=-2.4!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.00315 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.745 -0.873 9.689 1.00 0.00 N ATOM 2 CA GLY A 1 -21.461 -1.561 10.936 1.00 0.00 C ATOM 3 C GLY A 1 -21.890 -3.028 10.864 1.00 0.00 C ATOM 4 O GLY A 1 -22.781 -3.454 11.597 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.445 0.120 9.764 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.228 -1.333 8.913 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.766 -0.912 9.496 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.395 -1.501 11.154 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.982 -1.066 11.755 1.00 0.00 H new ATOM 8 N SER A 2 -21.237 -3.759 9.973 1.00 0.00 N ATOM 9 CA SER A 2 -21.540 -5.169 9.795 1.00 0.00 C ATOM 10 C SER A 2 -20.364 -5.876 9.119 1.00 0.00 C ATOM 11 O SER A 2 -20.207 -5.802 7.901 1.00 0.00 O ATOM 12 CB SER A 2 -22.817 -5.358 8.973 1.00 0.00 C ATOM 13 OG SER A 2 -23.906 -5.806 9.775 1.00 0.00 O ATOM 0 H SER A 2 -20.499 -3.401 9.366 1.00 0.00 H new ATOM 0 HA SER A 2 -21.704 -5.610 10.778 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.083 -4.416 8.494 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.632 -6.079 8.177 1.00 0.00 H new ATOM 0 HG SER A 2 -23.923 -5.301 10.615 1.00 0.00 H new ATOM 19 N SER A 3 -19.567 -6.545 9.939 1.00 0.00 N ATOM 20 CA SER A 3 -18.409 -7.265 9.435 1.00 0.00 C ATOM 21 C SER A 3 -18.250 -8.589 10.184 1.00 0.00 C ATOM 22 O SER A 3 -18.093 -8.601 11.404 1.00 0.00 O ATOM 23 CB SER A 3 -17.138 -6.424 9.566 1.00 0.00 C ATOM 24 OG SER A 3 -17.222 -5.210 8.825 1.00 0.00 O ATOM 0 H SER A 3 -19.700 -6.604 10.949 1.00 0.00 H new ATOM 0 HA SER A 3 -18.568 -7.471 8.376 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.961 -6.196 10.617 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.283 -7.003 9.217 1.00 0.00 H new ATOM 0 HG SER A 3 -16.392 -4.701 8.936 1.00 0.00 H new ATOM 30 N GLY A 4 -18.295 -9.673 9.423 1.00 0.00 N ATOM 31 CA GLY A 4 -18.157 -10.999 10.000 1.00 0.00 C ATOM 32 C GLY A 4 -17.832 -12.035 8.921 1.00 0.00 C ATOM 33 O GLY A 4 -18.701 -12.799 8.507 1.00 0.00 O ATOM 0 H GLY A 4 -18.425 -9.660 8.411 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.368 -10.992 10.752 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.080 -11.276 10.509 1.00 0.00 H new ATOM 37 N SER A 5 -16.576 -12.026 8.498 1.00 0.00 N ATOM 38 CA SER A 5 -16.125 -12.955 7.476 1.00 0.00 C ATOM 39 C SER A 5 -14.644 -12.718 7.171 1.00 0.00 C ATOM 40 O SER A 5 -14.235 -11.589 6.904 1.00 0.00 O ATOM 41 CB SER A 5 -16.958 -12.818 6.200 1.00 0.00 C ATOM 42 OG SER A 5 -17.405 -14.082 5.716 1.00 0.00 O ATOM 0 H SER A 5 -15.857 -11.390 8.844 1.00 0.00 H new ATOM 0 HA SER A 5 -16.254 -13.969 7.854 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.819 -12.180 6.396 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.364 -12.325 5.431 1.00 0.00 H new ATOM 0 HG SER A 5 -17.934 -13.952 4.902 1.00 0.00 H new ATOM 48 N SER A 6 -13.882 -13.801 7.220 1.00 0.00 N ATOM 49 CA SER A 6 -12.456 -13.725 6.952 1.00 0.00 C ATOM 50 C SER A 6 -11.957 -15.058 6.392 1.00 0.00 C ATOM 51 O SER A 6 -12.003 -16.080 7.076 1.00 0.00 O ATOM 52 CB SER A 6 -11.677 -13.356 8.216 1.00 0.00 C ATOM 53 OG SER A 6 -10.984 -12.119 8.074 1.00 0.00 O ATOM 0 H SER A 6 -14.225 -14.736 7.441 1.00 0.00 H new ATOM 0 HA SER A 6 -12.288 -12.942 6.213 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.364 -13.292 9.060 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.963 -14.147 8.446 1.00 0.00 H new ATOM 0 HG SER A 6 -10.501 -11.918 8.902 1.00 0.00 H new ATOM 59 N GLY A 7 -11.493 -15.006 5.152 1.00 0.00 N ATOM 60 CA GLY A 7 -10.986 -16.197 4.492 1.00 0.00 C ATOM 61 C GLY A 7 -9.759 -15.871 3.638 1.00 0.00 C ATOM 62 O GLY A 7 -8.625 -16.046 4.081 1.00 0.00 O ATOM 0 H GLY A 7 -11.458 -14.158 4.587 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.725 -16.947 5.238 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.766 -16.629 3.865 1.00 0.00 H new ATOM 66 N ARG A 8 -10.028 -15.402 2.428 1.00 0.00 N ATOM 67 CA ARG A 8 -8.960 -15.050 1.508 1.00 0.00 C ATOM 68 C ARG A 8 -8.187 -13.838 2.031 1.00 0.00 C ATOM 69 O ARG A 8 -8.717 -13.047 2.810 1.00 0.00 O ATOM 70 CB ARG A 8 -9.514 -14.732 0.117 1.00 0.00 C ATOM 71 CG ARG A 8 -9.567 -15.989 -0.753 1.00 0.00 C ATOM 72 CD ARG A 8 -10.523 -17.026 -0.160 1.00 0.00 C ATOM 73 NE ARG A 8 -10.507 -18.257 -0.982 1.00 0.00 N ATOM 74 CZ ARG A 8 -11.417 -19.236 -0.886 1.00 0.00 C ATOM 75 NH1 ARG A 8 -12.419 -19.134 -0.003 1.00 0.00 N ATOM 76 NH2 ARG A 8 -11.324 -20.317 -1.672 1.00 0.00 N ATOM 0 H ARG A 8 -10.970 -15.258 2.064 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.291 -15.907 1.433 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.513 -14.306 0.208 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.889 -13.979 -0.364 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.890 -15.725 -1.760 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.569 -16.418 -0.840 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.231 -17.259 0.864 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.534 -16.620 -0.119 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.757 -18.367 -1.664 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.489 -18.311 0.596 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.112 -19.879 0.070 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.560 -20.395 -2.344 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.017 -21.062 -1.599 1.00 0.00 H new ATOM 90 N PRO A 9 -6.912 -13.726 1.570 1.00 0.00 N ATOM 91 CA PRO A 9 -6.061 -12.624 1.983 1.00 0.00 C ATOM 92 C PRO A 9 -6.465 -11.326 1.281 1.00 0.00 C ATOM 93 O PRO A 9 -7.258 -11.345 0.341 1.00 0.00 O ATOM 94 CB PRO A 9 -4.648 -13.069 1.642 1.00 0.00 C ATOM 95 CG PRO A 9 -4.798 -14.195 0.632 1.00 0.00 C ATOM 96 CD PRO A 9 -6.250 -14.643 0.647 1.00 0.00 C ATOM 0 HA PRO A 9 -6.148 -12.401 3.046 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.069 -12.245 1.225 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.121 -13.411 2.533 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.514 -13.855 -0.364 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.139 -15.026 0.886 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.691 -14.590 -0.348 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.342 -15.676 0.981 1.00 0.00 H new ATOM 104 N HIS A 10 -5.901 -10.229 1.765 1.00 0.00 N ATOM 105 CA HIS A 10 -6.193 -8.924 1.195 1.00 0.00 C ATOM 106 C HIS A 10 -4.958 -8.396 0.463 1.00 0.00 C ATOM 107 O HIS A 10 -3.977 -8.004 1.095 1.00 0.00 O ATOM 108 CB HIS A 10 -6.700 -7.963 2.272 1.00 0.00 C ATOM 109 CG HIS A 10 -8.052 -8.331 2.837 1.00 0.00 C ATOM 110 ND1 HIS A 10 -9.240 -7.875 2.293 1.00 0.00 N ATOM 111 CD2 HIS A 10 -8.390 -9.115 3.900 1.00 0.00 C ATOM 112 CE1 HIS A 10 -10.242 -8.369 3.006 1.00 0.00 C ATOM 113 NE2 HIS A 10 -9.713 -9.137 4.002 1.00 0.00 N ATOM 0 H HIS A 10 -5.244 -10.217 2.545 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.995 -9.014 0.463 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.975 -7.930 3.085 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.754 -6.959 1.852 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.698 -9.631 4.549 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.293 -8.194 2.830 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -10.246 -9.644 4.708 1.00 0.00 H new ATOM 121 N VAL A 11 -5.045 -8.402 -0.859 1.00 0.00 N ATOM 122 CA VAL A 11 -3.947 -7.928 -1.683 1.00 0.00 C ATOM 123 C VAL A 11 -4.067 -6.414 -1.865 1.00 0.00 C ATOM 124 O VAL A 11 -4.767 -5.946 -2.761 1.00 0.00 O ATOM 125 CB VAL A 11 -3.923 -8.689 -3.010 1.00 0.00 C ATOM 126 CG1 VAL A 11 -2.949 -8.041 -3.997 1.00 0.00 C ATOM 127 CG2 VAL A 11 -3.580 -10.164 -2.791 1.00 0.00 C ATOM 0 H VAL A 11 -5.859 -8.728 -1.380 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.992 -8.122 -1.194 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.922 -8.638 -3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.951 -8.602 -4.932 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.256 -7.013 -4.190 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.945 -8.046 -3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.570 -10.681 -3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.598 -10.244 -2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.328 -10.619 -2.141 1.00 0.00 H new ATOM 137 N VAL A 12 -3.374 -5.689 -0.999 1.00 0.00 N ATOM 138 CA VAL A 12 -3.394 -4.237 -1.053 1.00 0.00 C ATOM 139 C VAL A 12 -2.402 -3.756 -2.114 1.00 0.00 C ATOM 140 O VAL A 12 -1.235 -4.145 -2.100 1.00 0.00 O ATOM 141 CB VAL A 12 -3.112 -3.658 0.335 1.00 0.00 C ATOM 142 CG1 VAL A 12 -3.150 -2.129 0.310 1.00 0.00 C ATOM 143 CG2 VAL A 12 -4.093 -4.213 1.370 1.00 0.00 C ATOM 0 H VAL A 12 -2.795 -6.080 -0.256 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.381 -3.880 -1.346 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.107 -3.963 0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.946 -1.744 1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.395 -1.758 -0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.136 -1.795 -0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.871 -3.786 2.348 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.111 -3.952 1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.997 -5.298 1.418 1.00 0.00 H new ATOM 153 N LYS A 13 -2.902 -2.917 -3.008 1.00 0.00 N ATOM 154 CA LYS A 13 -2.075 -2.378 -4.074 1.00 0.00 C ATOM 155 C LYS A 13 -1.667 -0.946 -3.724 1.00 0.00 C ATOM 156 O LYS A 13 -2.455 -0.015 -3.886 1.00 0.00 O ATOM 157 CB LYS A 13 -2.789 -2.502 -5.422 1.00 0.00 C ATOM 158 CG LYS A 13 -3.060 -3.969 -5.765 1.00 0.00 C ATOM 159 CD LYS A 13 -3.651 -4.102 -7.170 1.00 0.00 C ATOM 160 CE LYS A 13 -2.556 -4.027 -8.235 1.00 0.00 C ATOM 161 NZ LYS A 13 -2.449 -5.313 -8.960 1.00 0.00 N ATOM 0 H LYS A 13 -3.870 -2.597 -3.016 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.156 -2.956 -4.172 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.730 -1.952 -5.392 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.180 -2.048 -6.204 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.133 -4.539 -5.701 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.748 -4.396 -5.035 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.183 -5.050 -7.256 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.381 -3.310 -7.338 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.778 -3.224 -8.938 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.601 -3.786 -7.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.701 -5.245 -9.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.215 -6.072 -8.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.356 -5.527 -9.422 1.00 0.00 H new ATOM 175 N VAL A 14 -0.437 -0.814 -3.250 1.00 0.00 N ATOM 176 CA VAL A 14 0.085 0.490 -2.876 1.00 0.00 C ATOM 177 C VAL A 14 0.937 1.041 -4.020 1.00 0.00 C ATOM 178 O VAL A 14 1.863 0.378 -4.485 1.00 0.00 O ATOM 179 CB VAL A 14 0.851 0.387 -1.555 1.00 0.00 C ATOM 180 CG1 VAL A 14 1.791 1.580 -1.373 1.00 0.00 C ATOM 181 CG2 VAL A 14 -0.111 0.262 -0.372 1.00 0.00 C ATOM 0 H VAL A 14 0.213 -1.588 -3.116 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.730 1.195 -2.710 1.00 0.00 H new ATOM 0 HB VAL A 14 1.459 -0.517 -1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.323 1.483 -0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.509 1.606 -2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.211 2.503 -1.370 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.459 0.190 0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.757 1.139 -0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.722 -0.633 -0.492 1.00 0.00 H new ATOM 191 N TYR A 15 0.595 2.250 -4.442 1.00 0.00 N ATOM 192 CA TYR A 15 1.318 2.898 -5.523 1.00 0.00 C ATOM 193 C TYR A 15 2.355 3.881 -4.977 1.00 0.00 C ATOM 194 O TYR A 15 2.121 4.537 -3.964 1.00 0.00 O ATOM 195 CB TYR A 15 0.270 3.674 -6.325 1.00 0.00 C ATOM 196 CG TYR A 15 -0.701 2.785 -7.104 1.00 0.00 C ATOM 197 CD1 TYR A 15 -1.870 2.354 -6.510 1.00 0.00 C ATOM 198 CD2 TYR A 15 -0.408 2.414 -8.401 1.00 0.00 C ATOM 199 CE1 TYR A 15 -2.784 1.517 -7.244 1.00 0.00 C ATOM 200 CE2 TYR A 15 -1.322 1.577 -9.134 1.00 0.00 C ATOM 201 CZ TYR A 15 -2.465 1.170 -8.519 1.00 0.00 C ATOM 202 OH TYR A 15 -3.328 0.380 -9.212 1.00 0.00 O ATOM 0 H TYR A 15 -0.173 2.798 -4.055 1.00 0.00 H new ATOM 0 HA TYR A 15 1.846 2.161 -6.128 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.299 4.306 -5.643 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.780 4.337 -7.024 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.099 2.644 -5.495 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.507 2.751 -8.866 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.702 1.173 -6.791 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.105 1.279 -10.149 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.971 0.214 -10.109 1.00 0.00 H new ATOM 212 N SER A 16 3.481 3.951 -5.673 1.00 0.00 N ATOM 213 CA SER A 16 4.555 4.842 -5.271 1.00 0.00 C ATOM 214 C SER A 16 4.622 6.042 -6.218 1.00 0.00 C ATOM 215 O SER A 16 4.267 5.932 -7.391 1.00 0.00 O ATOM 216 CB SER A 16 5.898 4.110 -5.246 1.00 0.00 C ATOM 217 OG SER A 16 6.827 4.727 -4.359 1.00 0.00 O ATOM 0 H SER A 16 3.672 3.405 -6.513 1.00 0.00 H new ATOM 0 HA SER A 16 4.346 5.195 -4.261 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.741 3.075 -4.943 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.317 4.088 -6.252 1.00 0.00 H new ATOM 0 HG SER A 16 7.671 4.229 -4.371 1.00 0.00 H new ATOM 223 N GLU A 17 5.080 7.160 -5.675 1.00 0.00 N ATOM 224 CA GLU A 17 5.198 8.379 -6.457 1.00 0.00 C ATOM 225 C GLU A 17 5.738 8.063 -7.853 1.00 0.00 C ATOM 226 O GLU A 17 5.142 8.454 -8.856 1.00 0.00 O ATOM 227 CB GLU A 17 6.084 9.403 -5.745 1.00 0.00 C ATOM 228 CG GLU A 17 5.248 10.556 -5.186 1.00 0.00 C ATOM 229 CD GLU A 17 5.960 11.896 -5.383 1.00 0.00 C ATOM 230 OE1 GLU A 17 6.046 12.327 -6.553 1.00 0.00 O ATOM 231 OE2 GLU A 17 6.404 12.459 -4.359 1.00 0.00 O ATOM 0 H GLU A 17 5.374 7.247 -4.702 1.00 0.00 H new ATOM 0 HA GLU A 17 4.206 8.818 -6.563 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.628 8.918 -4.935 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.828 9.792 -6.441 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.277 10.580 -5.682 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.060 10.393 -4.125 1.00 0.00 H new ATOM 238 N ASP A 18 6.860 7.359 -7.874 1.00 0.00 N ATOM 239 CA ASP A 18 7.487 6.986 -9.130 1.00 0.00 C ATOM 240 C ASP A 18 6.419 6.466 -10.094 1.00 0.00 C ATOM 241 O ASP A 18 6.402 6.836 -11.267 1.00 0.00 O ATOM 242 CB ASP A 18 8.518 5.875 -8.923 1.00 0.00 C ATOM 243 CG ASP A 18 9.900 6.352 -8.472 1.00 0.00 C ATOM 244 OD1 ASP A 18 10.165 7.562 -8.637 1.00 0.00 O ATOM 245 OD2 ASP A 18 10.661 5.495 -7.972 1.00 0.00 O ATOM 0 H ASP A 18 7.351 7.037 -7.040 1.00 0.00 H new ATOM 0 HA ASP A 18 7.984 7.868 -9.533 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.132 5.175 -8.182 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.627 5.323 -9.856 1.00 0.00 H new ATOM 250 N GLY A 19 5.552 5.616 -9.563 1.00 0.00 N ATOM 251 CA GLY A 19 4.483 5.041 -10.361 1.00 0.00 C ATOM 252 C GLY A 19 4.374 3.533 -10.128 1.00 0.00 C ATOM 253 O GLY A 19 3.279 2.974 -10.153 1.00 0.00 O ATOM 0 H GLY A 19 5.568 5.312 -8.590 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.537 5.521 -10.108 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.667 5.237 -11.417 1.00 0.00 H new ATOM 257 N ALA A 20 5.526 2.916 -9.905 1.00 0.00 N ATOM 258 CA ALA A 20 5.574 1.484 -9.667 1.00 0.00 C ATOM 259 C ALA A 20 4.637 1.131 -8.510 1.00 0.00 C ATOM 260 O ALA A 20 4.746 1.698 -7.424 1.00 0.00 O ATOM 261 CB ALA A 20 7.019 1.059 -9.397 1.00 0.00 C ATOM 0 H ALA A 20 6.433 3.382 -9.884 1.00 0.00 H new ATOM 0 HA ALA A 20 5.232 0.938 -10.546 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.055 -0.016 -9.218 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.638 1.304 -10.260 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.395 1.585 -8.520 1.00 0.00 H new ATOM 267 N CYS A 21 3.737 0.198 -8.783 1.00 0.00 N ATOM 268 CA CYS A 21 2.782 -0.237 -7.778 1.00 0.00 C ATOM 269 C CYS A 21 3.311 -1.520 -7.134 1.00 0.00 C ATOM 270 O CYS A 21 3.656 -2.472 -7.832 1.00 0.00 O ATOM 271 CB CYS A 21 1.385 -0.430 -8.372 1.00 0.00 C ATOM 272 SG CYS A 21 0.277 -1.192 -7.130 1.00 0.00 S ATOM 0 H CYS A 21 3.649 -0.269 -9.686 1.00 0.00 H new ATOM 0 HA CYS A 21 2.678 0.534 -7.015 1.00 0.00 H new ATOM 0 HB2 CYS A 21 0.981 0.531 -8.692 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.442 -1.063 -9.258 1.00 0.00 H new ATOM 0 HG CYS A 21 0.656 -0.841 -5.937 1.00 0.00 H new ATOM 278 N ARG A 22 3.359 -1.504 -5.810 1.00 0.00 N ATOM 279 CA ARG A 22 3.841 -2.654 -5.065 1.00 0.00 C ATOM 280 C ARG A 22 2.739 -3.194 -4.151 1.00 0.00 C ATOM 281 O ARG A 22 2.296 -2.505 -3.233 1.00 0.00 O ATOM 282 CB ARG A 22 5.063 -2.290 -4.219 1.00 0.00 C ATOM 283 CG ARG A 22 6.356 -2.740 -4.902 1.00 0.00 C ATOM 284 CD ARG A 22 7.524 -1.830 -4.516 1.00 0.00 C ATOM 285 NE ARG A 22 8.805 -2.554 -4.681 1.00 0.00 N ATOM 286 CZ ARG A 22 9.945 -2.212 -4.066 1.00 0.00 C ATOM 287 NH1 ARG A 22 9.972 -1.155 -3.244 1.00 0.00 N ATOM 288 NH2 ARG A 22 11.059 -2.927 -4.275 1.00 0.00 N ATOM 0 H ARG A 22 3.072 -0.713 -5.234 1.00 0.00 H new ATOM 0 HA ARG A 22 4.128 -3.420 -5.786 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.089 -1.213 -4.056 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.983 -2.759 -3.238 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.582 -3.768 -4.619 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.223 -2.729 -5.984 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.520 -0.935 -5.138 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.413 -1.501 -3.483 1.00 0.00 H new ATOM 0 HE ARG A 22 8.820 -3.363 -5.301 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.124 -0.610 -3.086 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.840 -0.895 -2.776 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.039 -3.731 -4.902 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.927 -2.667 -3.807 1.00 0.00 H new ATOM 302 N SER A 23 2.328 -4.421 -4.433 1.00 0.00 N ATOM 303 CA SER A 23 1.286 -5.061 -3.648 1.00 0.00 C ATOM 304 C SER A 23 1.912 -5.878 -2.516 1.00 0.00 C ATOM 305 O SER A 23 3.083 -6.247 -2.585 1.00 0.00 O ATOM 306 CB SER A 23 0.407 -5.956 -4.524 1.00 0.00 C ATOM 307 OG SER A 23 1.122 -7.083 -5.024 1.00 0.00 O ATOM 0 H SER A 23 2.698 -4.990 -5.195 1.00 0.00 H new ATOM 0 HA SER A 23 0.653 -4.283 -3.221 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.451 -6.299 -3.946 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.017 -5.375 -5.359 1.00 0.00 H new ATOM 0 HG SER A 23 0.526 -7.630 -5.577 1.00 0.00 H new ATOM 313 N VAL A 24 1.103 -6.135 -1.498 1.00 0.00 N ATOM 314 CA VAL A 24 1.562 -6.901 -0.352 1.00 0.00 C ATOM 315 C VAL A 24 0.436 -7.818 0.128 1.00 0.00 C ATOM 316 O VAL A 24 -0.718 -7.400 0.209 1.00 0.00 O ATOM 317 CB VAL A 24 2.070 -5.956 0.739 1.00 0.00 C ATOM 318 CG1 VAL A 24 3.443 -5.388 0.377 1.00 0.00 C ATOM 319 CG2 VAL A 24 1.064 -4.834 1.004 1.00 0.00 C ATOM 0 H VAL A 24 0.132 -5.826 -1.443 1.00 0.00 H new ATOM 0 HA VAL A 24 2.402 -7.537 -0.630 1.00 0.00 H new ATOM 0 HB VAL A 24 2.178 -6.532 1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.781 -4.720 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.156 -6.205 0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.372 -4.834 -0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.449 -4.177 1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.909 -4.261 0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.116 -5.264 1.328 1.00 0.00 H new ATOM 329 N GLU A 25 0.810 -9.052 0.432 1.00 0.00 N ATOM 330 CA GLU A 25 -0.155 -10.033 0.901 1.00 0.00 C ATOM 331 C GLU A 25 -0.422 -9.841 2.396 1.00 0.00 C ATOM 332 O GLU A 25 0.409 -10.197 3.229 1.00 0.00 O ATOM 333 CB GLU A 25 0.323 -11.456 0.608 1.00 0.00 C ATOM 334 CG GLU A 25 -0.615 -12.157 -0.376 1.00 0.00 C ATOM 335 CD GLU A 25 -0.679 -13.660 -0.097 1.00 0.00 C ATOM 336 OE1 GLU A 25 0.392 -14.299 -0.180 1.00 0.00 O ATOM 337 OE2 GLU A 25 -1.798 -14.136 0.194 1.00 0.00 O ATOM 0 H GLU A 25 1.768 -9.395 0.363 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.090 -9.881 0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.332 -11.427 0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.373 -12.025 1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.614 -11.727 -0.301 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.270 -11.987 -1.396 1.00 0.00 H new ATOM 344 N VAL A 26 -1.586 -9.279 2.689 1.00 0.00 N ATOM 345 CA VAL A 26 -1.973 -9.036 4.068 1.00 0.00 C ATOM 346 C VAL A 26 -3.365 -9.621 4.313 1.00 0.00 C ATOM 347 O VAL A 26 -3.996 -10.138 3.392 1.00 0.00 O ATOM 348 CB VAL A 26 -1.890 -7.540 4.378 1.00 0.00 C ATOM 349 CG1 VAL A 26 -0.438 -7.059 4.379 1.00 0.00 C ATOM 350 CG2 VAL A 26 -2.736 -6.728 3.395 1.00 0.00 C ATOM 0 H VAL A 26 -2.273 -8.985 1.995 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.286 -9.535 4.752 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.295 -7.383 5.378 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.408 -5.992 4.602 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.125 -7.604 5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.005 -7.237 3.399 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.659 -5.668 3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.375 -6.895 2.380 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.777 -7.042 3.466 1.00 0.00 H new ATOM 360 N ALA A 27 -3.803 -9.521 5.560 1.00 0.00 N ATOM 361 CA ALA A 27 -5.109 -10.034 5.937 1.00 0.00 C ATOM 362 C ALA A 27 -5.768 -9.064 6.920 1.00 0.00 C ATOM 363 O ALA A 27 -5.089 -8.259 7.554 1.00 0.00 O ATOM 364 CB ALA A 27 -4.955 -11.440 6.521 1.00 0.00 C ATOM 0 H ALA A 27 -3.277 -9.093 6.321 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.758 -10.112 5.065 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.934 -11.826 6.804 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.508 -12.097 5.775 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.313 -11.400 7.401 1.00 0.00 H new ATOM 370 N ALA A 28 -7.085 -9.173 7.015 1.00 0.00 N ATOM 371 CA ALA A 28 -7.845 -8.316 7.909 1.00 0.00 C ATOM 372 C ALA A 28 -7.106 -8.196 9.243 1.00 0.00 C ATOM 373 O ALA A 28 -7.221 -9.070 10.102 1.00 0.00 O ATOM 374 CB ALA A 28 -9.259 -8.876 8.074 1.00 0.00 C ATOM 0 H ALA A 28 -7.645 -9.842 6.487 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.939 -7.313 7.492 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.829 -8.233 8.745 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.751 -8.914 7.102 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.206 -9.881 8.493 1.00 0.00 H new ATOM 380 N GLY A 29 -6.363 -7.107 9.376 1.00 0.00 N ATOM 381 CA GLY A 29 -5.605 -6.862 10.592 1.00 0.00 C ATOM 382 C GLY A 29 -4.470 -5.868 10.338 1.00 0.00 C ATOM 383 O GLY A 29 -4.332 -4.881 11.059 1.00 0.00 O ATOM 0 H GLY A 29 -6.270 -6.384 8.662 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.267 -6.474 11.366 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.195 -7.801 10.965 1.00 0.00 H new ATOM 387 N ALA A 30 -3.685 -6.163 9.312 1.00 0.00 N ATOM 388 CA ALA A 30 -2.566 -5.308 8.955 1.00 0.00 C ATOM 389 C ALA A 30 -3.049 -3.859 8.856 1.00 0.00 C ATOM 390 O ALA A 30 -4.033 -3.574 8.175 1.00 0.00 O ATOM 391 CB ALA A 30 -1.940 -5.805 7.651 1.00 0.00 C ATOM 0 H ALA A 30 -3.802 -6.983 8.716 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.793 -5.346 9.722 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.100 -5.164 7.383 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.588 -6.828 7.783 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.685 -5.778 6.856 1.00 0.00 H new ATOM 397 N THR A 31 -2.334 -2.982 9.545 1.00 0.00 N ATOM 398 CA THR A 31 -2.676 -1.570 9.542 1.00 0.00 C ATOM 399 C THR A 31 -1.914 -0.838 8.436 1.00 0.00 C ATOM 400 O THR A 31 -1.166 -1.455 7.680 1.00 0.00 O ATOM 401 CB THR A 31 -2.400 -1.015 10.941 1.00 0.00 C ATOM 402 OG1 THR A 31 -1.001 -1.213 11.123 1.00 0.00 O ATOM 403 CG2 THR A 31 -3.043 -1.858 12.044 1.00 0.00 C ATOM 0 H THR A 31 -1.519 -3.222 10.109 1.00 0.00 H new ATOM 0 HA THR A 31 -3.732 -1.419 9.319 1.00 0.00 H new ATOM 0 HB THR A 31 -2.771 0.008 11.005 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.735 -0.879 12.005 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.816 -1.420 13.016 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.123 -1.882 11.900 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.649 -2.873 12.003 1.00 0.00 H new ATOM 411 N ALA A 32 -2.131 0.467 8.376 1.00 0.00 N ATOM 412 CA ALA A 32 -1.474 1.290 7.375 1.00 0.00 C ATOM 413 C ALA A 32 0.033 1.302 7.640 1.00 0.00 C ATOM 414 O ALA A 32 0.813 1.720 6.786 1.00 0.00 O ATOM 415 CB ALA A 32 -2.080 2.695 7.391 1.00 0.00 C ATOM 0 H ALA A 32 -2.753 0.975 9.005 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.630 0.879 6.378 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.587 3.312 6.640 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.145 2.634 7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.940 3.141 8.376 1.00 0.00 H new ATOM 421 N ARG A 33 0.396 0.837 8.826 1.00 0.00 N ATOM 422 CA ARG A 33 1.796 0.788 9.213 1.00 0.00 C ATOM 423 C ARG A 33 2.419 -0.543 8.788 1.00 0.00 C ATOM 424 O ARG A 33 3.586 -0.591 8.404 1.00 0.00 O ATOM 425 CB ARG A 33 1.955 0.957 10.726 1.00 0.00 C ATOM 426 CG ARG A 33 3.278 0.359 11.208 1.00 0.00 C ATOM 427 CD ARG A 33 4.468 1.051 10.541 1.00 0.00 C ATOM 428 NE ARG A 33 5.443 1.483 11.567 1.00 0.00 N ATOM 429 CZ ARG A 33 5.335 2.613 12.278 1.00 0.00 C ATOM 430 NH1 ARG A 33 4.293 3.432 12.080 1.00 0.00 N ATOM 431 NH2 ARG A 33 6.267 2.924 13.188 1.00 0.00 N ATOM 0 H ARG A 33 -0.254 0.491 9.531 1.00 0.00 H new ATOM 0 HA ARG A 33 2.307 1.609 8.710 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.915 2.015 10.984 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.124 0.472 11.239 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.354 0.460 12.291 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.302 -0.708 10.985 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.947 0.371 9.836 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.124 1.913 9.969 1.00 0.00 H new ATOM 0 HE ARG A 33 6.248 0.882 11.744 1.00 0.00 H new ATOM 0 HH11 ARG A 33 3.582 3.195 11.388 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.211 4.293 12.621 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.060 2.300 13.340 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.184 3.785 13.729 1.00 0.00 H new ATOM 445 N HIS A 34 1.612 -1.591 8.871 1.00 0.00 N ATOM 446 CA HIS A 34 2.069 -2.919 8.499 1.00 0.00 C ATOM 447 C HIS A 34 2.539 -2.911 7.043 1.00 0.00 C ATOM 448 O HIS A 34 3.505 -3.589 6.695 1.00 0.00 O ATOM 449 CB HIS A 34 0.982 -3.962 8.765 1.00 0.00 C ATOM 450 CG HIS A 34 1.092 -4.634 10.113 1.00 0.00 C ATOM 451 ND1 HIS A 34 0.873 -3.964 11.304 1.00 0.00 N ATOM 452 CD2 HIS A 34 1.400 -5.920 10.445 1.00 0.00 C ATOM 453 CE1 HIS A 34 1.044 -4.819 12.302 1.00 0.00 C ATOM 454 NE2 HIS A 34 1.371 -6.030 11.768 1.00 0.00 N ATOM 0 H HIS A 34 0.644 -1.547 9.191 1.00 0.00 H new ATOM 0 HA HIS A 34 2.921 -3.201 9.118 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.006 -3.482 8.688 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.025 -4.723 7.986 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.629 -6.714 9.750 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.942 -4.596 13.354 1.00 0.00 H new ATOM 0 HE2 HIS A 34 1.562 -6.881 12.298 1.00 0.00 H new ATOM 462 N VAL A 35 1.835 -2.136 6.231 1.00 0.00 N ATOM 463 CA VAL A 35 2.168 -2.030 4.821 1.00 0.00 C ATOM 464 C VAL A 35 3.484 -1.265 4.668 1.00 0.00 C ATOM 465 O VAL A 35 4.367 -1.684 3.922 1.00 0.00 O ATOM 466 CB VAL A 35 1.010 -1.387 4.056 1.00 0.00 C ATOM 467 CG1 VAL A 35 1.419 -1.053 2.620 1.00 0.00 C ATOM 468 CG2 VAL A 35 -0.228 -2.286 4.078 1.00 0.00 C ATOM 0 H VAL A 35 1.035 -1.575 6.523 1.00 0.00 H new ATOM 0 HA VAL A 35 2.315 -3.020 4.388 1.00 0.00 H new ATOM 0 HB VAL A 35 0.755 -0.453 4.557 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.577 -0.597 2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.258 -0.357 2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.714 -1.967 2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.036 -1.805 3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.009 -3.243 3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.540 -2.451 5.109 1.00 0.00 H new ATOM 478 N CYS A 36 3.573 -0.156 5.387 1.00 0.00 N ATOM 479 CA CYS A 36 4.767 0.672 5.341 1.00 0.00 C ATOM 480 C CYS A 36 5.973 -0.204 5.683 1.00 0.00 C ATOM 481 O CYS A 36 6.996 -0.152 5.002 1.00 0.00 O ATOM 482 CB CYS A 36 4.654 1.879 6.275 1.00 0.00 C ATOM 483 SG CYS A 36 6.293 2.670 6.475 1.00 0.00 S ATOM 0 H CYS A 36 2.838 0.189 6.005 1.00 0.00 H new ATOM 0 HA CYS A 36 4.890 1.082 4.338 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.941 2.597 5.870 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.272 1.564 7.246 1.00 0.00 H new ATOM 0 HG CYS A 36 6.661 3.198 5.345 1.00 0.00 H new ATOM 489 N GLU A 37 5.813 -0.989 6.739 1.00 0.00 N ATOM 490 CA GLU A 37 6.877 -1.876 7.180 1.00 0.00 C ATOM 491 C GLU A 37 7.243 -2.860 6.067 1.00 0.00 C ATOM 492 O GLU A 37 8.393 -2.911 5.632 1.00 0.00 O ATOM 493 CB GLU A 37 6.478 -2.617 8.457 1.00 0.00 C ATOM 494 CG GLU A 37 6.867 -1.814 9.701 1.00 0.00 C ATOM 495 CD GLU A 37 8.283 -2.167 10.160 1.00 0.00 C ATOM 496 OE1 GLU A 37 8.525 -3.373 10.380 1.00 0.00 O ATOM 497 OE2 GLU A 37 9.092 -1.221 10.280 1.00 0.00 O ATOM 0 H GLU A 37 4.963 -1.029 7.302 1.00 0.00 H new ATOM 0 HA GLU A 37 7.756 -1.273 7.408 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.403 -2.796 8.457 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.964 -3.592 8.483 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.806 -0.748 9.484 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.159 -2.016 10.505 1.00 0.00 H new ATOM 504 N MET A 38 6.244 -3.617 5.637 1.00 0.00 N ATOM 505 CA MET A 38 6.447 -4.596 4.583 1.00 0.00 C ATOM 506 C MET A 38 7.112 -3.957 3.362 1.00 0.00 C ATOM 507 O MET A 38 8.199 -4.366 2.957 1.00 0.00 O ATOM 508 CB MET A 38 5.100 -5.196 4.177 1.00 0.00 C ATOM 509 CG MET A 38 4.436 -5.904 5.359 1.00 0.00 C ATOM 510 SD MET A 38 4.341 -7.659 5.044 1.00 0.00 S ATOM 511 CE MET A 38 3.133 -7.673 3.730 1.00 0.00 C ATOM 0 H MET A 38 5.292 -3.572 6.000 1.00 0.00 H new ATOM 0 HA MET A 38 7.103 -5.379 4.962 1.00 0.00 H new ATOM 0 HB2 MET A 38 4.444 -4.408 3.805 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.244 -5.903 3.360 1.00 0.00 H new ATOM 0 HG2 MET A 38 5.005 -5.720 6.270 1.00 0.00 H new ATOM 0 HG3 MET A 38 3.436 -5.500 5.520 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.509 -8.563 3.818 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.508 -6.783 3.801 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.643 -7.682 2.767 1.00 0.00 H new ATOM 521 N LEU A 39 6.429 -2.966 2.808 1.00 0.00 N ATOM 522 CA LEU A 39 6.940 -2.267 1.641 1.00 0.00 C ATOM 523 C LEU A 39 8.404 -1.891 1.876 1.00 0.00 C ATOM 524 O LEU A 39 9.292 -2.373 1.175 1.00 0.00 O ATOM 525 CB LEU A 39 6.046 -1.073 1.298 1.00 0.00 C ATOM 526 CG LEU A 39 4.607 -1.405 0.898 1.00 0.00 C ATOM 527 CD1 LEU A 39 3.777 -0.131 0.728 1.00 0.00 C ATOM 528 CD2 LEU A 39 4.575 -2.281 -0.356 1.00 0.00 C ATOM 0 H LEU A 39 5.527 -2.631 3.145 1.00 0.00 H new ATOM 0 HA LEU A 39 6.915 -2.917 0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.018 -0.406 2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.510 -0.519 0.482 1.00 0.00 H new ATOM 0 HG LEU A 39 4.152 -1.980 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.759 -0.396 0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.760 0.420 1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.221 0.491 -0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.541 -2.502 -0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.054 -1.753 -1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.108 -3.212 -0.163 1.00 0.00 H new ATOM 540 N VAL A 40 8.610 -1.035 2.866 1.00 0.00 N ATOM 541 CA VAL A 40 9.952 -0.589 3.202 1.00 0.00 C ATOM 542 C VAL A 40 10.915 -1.775 3.116 1.00 0.00 C ATOM 543 O VAL A 40 11.840 -1.770 2.306 1.00 0.00 O ATOM 544 CB VAL A 40 9.951 0.082 4.577 1.00 0.00 C ATOM 545 CG1 VAL A 40 11.356 0.094 5.183 1.00 0.00 C ATOM 546 CG2 VAL A 40 9.376 1.498 4.496 1.00 0.00 C ATOM 0 H VAL A 40 7.871 -0.638 3.446 1.00 0.00 H new ATOM 0 HA VAL A 40 10.295 0.161 2.489 1.00 0.00 H new ATOM 0 HB VAL A 40 9.308 -0.503 5.235 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.327 0.577 6.160 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.713 -0.930 5.295 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.031 0.644 4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.387 1.952 5.487 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.980 2.098 3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.351 1.454 4.128 1.00 0.00 H new ATOM 556 N GLN A 41 10.664 -2.762 3.963 1.00 0.00 N ATOM 557 CA GLN A 41 11.498 -3.952 3.993 1.00 0.00 C ATOM 558 C GLN A 41 10.962 -4.950 5.022 1.00 0.00 C ATOM 559 O GLN A 41 10.171 -4.586 5.892 1.00 0.00 O ATOM 560 CB GLN A 41 12.956 -3.593 4.286 1.00 0.00 C ATOM 561 CG GLN A 41 13.130 -3.147 5.739 1.00 0.00 C ATOM 562 CD GLN A 41 14.270 -2.135 5.870 1.00 0.00 C ATOM 563 OE1 GLN A 41 15.276 -2.203 5.183 1.00 0.00 O ATOM 564 NE2 GLN A 41 14.056 -1.196 6.787 1.00 0.00 N ATOM 0 H GLN A 41 9.895 -2.762 4.634 1.00 0.00 H new ATOM 0 HA GLN A 41 11.464 -4.420 3.009 1.00 0.00 H new ATOM 0 HB2 GLN A 41 13.593 -4.455 4.088 1.00 0.00 H new ATOM 0 HB3 GLN A 41 13.280 -2.796 3.616 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.202 -2.704 6.100 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.335 -4.014 6.367 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.191 -1.198 7.327 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.757 -0.473 6.950 1.00 0.00 H new ATOM 573 N ARG A 42 11.413 -6.188 4.889 1.00 0.00 N ATOM 574 CA ARG A 42 10.989 -7.241 5.796 1.00 0.00 C ATOM 575 C ARG A 42 12.193 -7.812 6.547 1.00 0.00 C ATOM 576 O ARG A 42 12.230 -7.789 7.776 1.00 0.00 O ATOM 577 CB ARG A 42 10.287 -8.370 5.039 1.00 0.00 C ATOM 578 CG ARG A 42 8.929 -8.691 5.668 1.00 0.00 C ATOM 579 CD ARG A 42 9.096 -9.193 7.104 1.00 0.00 C ATOM 580 NE ARG A 42 8.827 -8.094 8.059 1.00 0.00 N ATOM 581 CZ ARG A 42 7.648 -7.466 8.169 1.00 0.00 C ATOM 582 NH1 ARG A 42 6.622 -7.825 7.386 1.00 0.00 N ATOM 583 NH2 ARG A 42 7.496 -6.480 9.063 1.00 0.00 N ATOM 0 H ARG A 42 12.068 -6.486 4.166 1.00 0.00 H new ATOM 0 HA ARG A 42 10.288 -6.804 6.506 1.00 0.00 H new ATOM 0 HB2 ARG A 42 10.150 -8.083 3.996 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.914 -9.261 5.045 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.301 -7.800 5.661 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.417 -9.447 5.072 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.414 -10.022 7.290 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.107 -9.573 7.250 1.00 0.00 H new ATOM 0 HE ARG A 42 9.586 -7.796 8.671 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.738 -8.576 6.706 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.725 -7.347 7.470 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.277 -6.208 9.660 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.599 -6.002 9.147 1.00 0.00 H new ATOM 597 N ALA A 43 13.149 -8.311 5.777 1.00 0.00 N ATOM 598 CA ALA A 43 14.351 -8.887 6.354 1.00 0.00 C ATOM 599 C ALA A 43 15.153 -7.787 7.054 1.00 0.00 C ATOM 600 O ALA A 43 15.261 -6.673 6.544 1.00 0.00 O ATOM 601 CB ALA A 43 15.157 -9.589 5.260 1.00 0.00 C ATOM 0 H ALA A 43 13.115 -8.328 4.758 1.00 0.00 H new ATOM 0 HA ALA A 43 14.096 -9.637 7.103 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.059 -10.021 5.693 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.554 -10.380 4.814 1.00 0.00 H new ATOM 0 HB3 ALA A 43 15.434 -8.867 4.492 1.00 0.00 H new ATOM 607 N HIS A 44 15.694 -8.139 8.211 1.00 0.00 N ATOM 608 CA HIS A 44 16.482 -7.196 8.986 1.00 0.00 C ATOM 609 C HIS A 44 15.589 -6.046 9.457 1.00 0.00 C ATOM 610 O HIS A 44 15.195 -5.998 10.621 1.00 0.00 O ATOM 611 CB HIS A 44 17.695 -6.716 8.186 1.00 0.00 C ATOM 612 CG HIS A 44 19.014 -7.250 8.691 1.00 0.00 C ATOM 613 ND1 HIS A 44 19.805 -6.563 9.596 1.00 0.00 N ATOM 614 CD2 HIS A 44 19.672 -8.411 8.410 1.00 0.00 C ATOM 615 CE1 HIS A 44 20.887 -7.287 9.840 1.00 0.00 C ATOM 616 NE2 HIS A 44 20.803 -8.432 9.103 1.00 0.00 N ATOM 0 H HIS A 44 15.602 -9.064 8.630 1.00 0.00 H new ATOM 0 HA HIS A 44 16.877 -7.690 9.874 1.00 0.00 H new ATOM 0 HB2 HIS A 44 17.570 -7.011 7.144 1.00 0.00 H new ATOM 0 HB3 HIS A 44 17.724 -5.627 8.207 1.00 0.00 H new ATOM 0 HD2 HIS A 44 19.330 -9.183 7.737 1.00 0.00 H new ATOM 0 HE1 HIS A 44 21.694 -7.018 10.505 1.00 0.00 H new ATOM 0 HE2 HIS A 44 21.496 -9.181 9.087 1.00 0.00 H new ATOM 624 N ALA A 45 15.297 -5.147 8.528 1.00 0.00 N ATOM 625 CA ALA A 45 14.459 -4.001 8.833 1.00 0.00 C ATOM 626 C ALA A 45 15.004 -3.292 10.075 1.00 0.00 C ATOM 627 O ALA A 45 14.661 -3.651 11.200 1.00 0.00 O ATOM 628 CB ALA A 45 13.011 -4.461 9.013 1.00 0.00 C ATOM 0 H ALA A 45 15.626 -5.190 7.564 1.00 0.00 H new ATOM 0 HA ALA A 45 14.474 -3.285 8.011 1.00 0.00 H new ATOM 0 HB1 ALA A 45 12.382 -3.601 9.242 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.662 -4.932 8.094 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.956 -5.179 9.832 1.00 0.00 H new ATOM 634 N LEU A 46 15.844 -2.297 9.828 1.00 0.00 N ATOM 635 CA LEU A 46 16.439 -1.534 10.912 1.00 0.00 C ATOM 636 C LEU A 46 15.351 -0.722 11.616 1.00 0.00 C ATOM 637 O LEU A 46 15.116 -0.897 12.811 1.00 0.00 O ATOM 638 CB LEU A 46 17.602 -0.686 10.394 1.00 0.00 C ATOM 639 CG LEU A 46 18.923 -1.424 10.170 1.00 0.00 C ATOM 640 CD1 LEU A 46 19.561 -1.015 8.840 1.00 0.00 C ATOM 641 CD2 LEU A 46 19.875 -1.215 11.350 1.00 0.00 C ATOM 0 H LEU A 46 16.126 -2.002 8.893 1.00 0.00 H new ATOM 0 HA LEU A 46 16.870 -2.203 11.657 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.300 -0.228 9.452 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.777 0.125 11.101 1.00 0.00 H new ATOM 0 HG LEU A 46 18.712 -2.492 10.111 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.499 -1.554 8.705 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.883 -1.257 8.022 1.00 0.00 H new ATOM 0 HD13 LEU A 46 19.756 0.057 8.845 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.806 -1.750 11.165 1.00 0.00 H new ATOM 0 HD22 LEU A 46 20.084 -0.151 11.465 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.413 -1.594 12.262 1.00 0.00 H new ATOM 653 N SER A 47 14.716 0.150 10.846 1.00 0.00 N ATOM 654 CA SER A 47 13.658 0.990 11.382 1.00 0.00 C ATOM 655 C SER A 47 13.226 2.018 10.335 1.00 0.00 C ATOM 656 O SER A 47 12.039 2.149 10.041 1.00 0.00 O ATOM 657 CB SER A 47 14.109 1.694 12.663 1.00 0.00 C ATOM 658 OG SER A 47 13.385 1.242 13.804 1.00 0.00 O ATOM 0 H SER A 47 14.914 0.293 9.856 1.00 0.00 H new ATOM 0 HA SER A 47 12.808 0.354 11.630 1.00 0.00 H new ATOM 0 HB2 SER A 47 15.174 1.519 12.817 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.975 2.770 12.552 1.00 0.00 H new ATOM 0 HG SER A 47 13.641 0.318 14.009 1.00 0.00 H new ATOM 664 N ASP A 48 14.213 2.722 9.800 1.00 0.00 N ATOM 665 CA ASP A 48 13.950 3.734 8.792 1.00 0.00 C ATOM 666 C ASP A 48 12.971 4.766 9.355 1.00 0.00 C ATOM 667 O ASP A 48 12.500 4.629 10.484 1.00 0.00 O ATOM 668 CB ASP A 48 13.320 3.117 7.542 1.00 0.00 C ATOM 669 CG ASP A 48 14.316 2.560 6.524 1.00 0.00 C ATOM 670 OD1 ASP A 48 14.794 3.367 5.698 1.00 0.00 O ATOM 671 OD2 ASP A 48 14.577 1.339 6.594 1.00 0.00 O ATOM 0 H ASP A 48 15.197 2.611 10.046 1.00 0.00 H new ATOM 0 HA ASP A 48 14.899 4.198 8.525 1.00 0.00 H new ATOM 0 HB2 ASP A 48 12.650 2.314 7.850 1.00 0.00 H new ATOM 0 HB3 ASP A 48 12.707 3.873 7.052 1.00 0.00 H new ATOM 676 N GLU A 49 12.692 5.775 8.543 1.00 0.00 N ATOM 677 CA GLU A 49 11.777 6.829 8.947 1.00 0.00 C ATOM 678 C GLU A 49 10.406 6.241 9.288 1.00 0.00 C ATOM 679 O GLU A 49 10.163 5.056 9.064 1.00 0.00 O ATOM 680 CB GLU A 49 11.659 7.899 7.859 1.00 0.00 C ATOM 681 CG GLU A 49 12.680 9.017 8.077 1.00 0.00 C ATOM 682 CD GLU A 49 13.140 9.607 6.742 1.00 0.00 C ATOM 683 OE1 GLU A 49 13.292 8.809 5.791 1.00 0.00 O ATOM 684 OE2 GLU A 49 13.331 10.842 6.703 1.00 0.00 O ATOM 0 H GLU A 49 13.083 5.885 7.608 1.00 0.00 H new ATOM 0 HA GLU A 49 12.177 7.308 9.841 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.814 7.446 6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.652 8.316 7.861 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.240 9.801 8.693 1.00 0.00 H new ATOM 0 HG3 GLU A 49 13.540 8.628 8.622 1.00 0.00 H new ATOM 691 N THR A 50 9.547 7.096 9.823 1.00 0.00 N ATOM 692 CA THR A 50 8.208 6.675 10.198 1.00 0.00 C ATOM 693 C THR A 50 7.415 6.255 8.958 1.00 0.00 C ATOM 694 O THR A 50 6.908 5.137 8.891 1.00 0.00 O ATOM 695 CB THR A 50 7.555 7.817 10.979 1.00 0.00 C ATOM 696 OG1 THR A 50 7.915 8.987 10.249 1.00 0.00 O ATOM 697 CG2 THR A 50 8.191 8.025 12.354 1.00 0.00 C ATOM 0 H THR A 50 9.752 8.078 10.006 1.00 0.00 H new ATOM 0 HA THR A 50 8.235 5.796 10.842 1.00 0.00 H new ATOM 0 HB THR A 50 6.491 7.613 11.099 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.531 9.776 10.685 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.690 8.847 12.866 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.089 7.114 12.944 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.248 8.263 12.234 1.00 0.00 H new ATOM 705 N TRP A 51 7.333 7.175 8.008 1.00 0.00 N ATOM 706 CA TRP A 51 6.611 6.914 6.774 1.00 0.00 C ATOM 707 C TRP A 51 5.138 6.698 7.126 1.00 0.00 C ATOM 708 O TRP A 51 4.736 6.882 8.274 1.00 0.00 O ATOM 709 CB TRP A 51 7.224 5.734 6.018 1.00 0.00 C ATOM 710 CG TRP A 51 8.460 6.098 5.194 1.00 0.00 C ATOM 711 CD1 TRP A 51 9.704 6.336 5.632 1.00 0.00 C ATOM 712 CD2 TRP A 51 8.522 6.257 3.761 1.00 0.00 C ATOM 713 NE1 TRP A 51 10.559 6.635 4.591 1.00 0.00 N ATOM 714 CE2 TRP A 51 9.817 6.586 3.417 1.00 0.00 C ATOM 715 CE3 TRP A 51 7.516 6.128 2.787 1.00 0.00 C ATOM 716 CZ2 TRP A 51 10.226 6.812 2.097 1.00 0.00 C ATOM 717 CZ3 TRP A 51 7.940 6.357 1.473 1.00 0.00 C ATOM 718 CH2 TRP A 51 9.241 6.689 1.110 1.00 0.00 C ATOM 0 H TRP A 51 7.754 8.102 8.068 1.00 0.00 H new ATOM 0 HA TRP A 51 6.687 7.764 6.096 1.00 0.00 H new ATOM 0 HB2 TRP A 51 7.493 4.957 6.734 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.470 5.309 5.355 1.00 0.00 H new ATOM 0 HD1 TRP A 51 10.000 6.298 6.670 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.553 6.852 4.669 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.496 5.872 3.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.247 7.068 1.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.206 6.270 0.686 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.490 6.851 0.072 1.00 0.00 H new ATOM 729 N GLY A 52 4.372 6.311 6.116 1.00 0.00 N ATOM 730 CA GLY A 52 2.952 6.068 6.305 1.00 0.00 C ATOM 731 C GLY A 52 2.257 5.810 4.966 1.00 0.00 C ATOM 732 O GLY A 52 2.918 5.640 3.942 1.00 0.00 O ATOM 0 H GLY A 52 4.708 6.160 5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.811 5.211 6.963 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.495 6.927 6.797 1.00 0.00 H new ATOM 736 N LEU A 53 0.934 5.790 5.016 1.00 0.00 N ATOM 737 CA LEU A 53 0.143 5.556 3.820 1.00 0.00 C ATOM 738 C LEU A 53 -0.741 6.776 3.551 1.00 0.00 C ATOM 739 O LEU A 53 -1.140 7.475 4.481 1.00 0.00 O ATOM 740 CB LEU A 53 -0.639 4.246 3.942 1.00 0.00 C ATOM 741 CG LEU A 53 -0.045 3.040 3.211 1.00 0.00 C ATOM 742 CD1 LEU A 53 -1.016 1.858 3.225 1.00 0.00 C ATOM 743 CD2 LEU A 53 0.381 3.416 1.791 1.00 0.00 C ATOM 0 H LEU A 53 0.389 5.932 5.866 1.00 0.00 H new ATOM 0 HA LEU A 53 0.792 5.434 2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.729 3.997 4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.649 4.412 3.567 1.00 0.00 H new ATOM 0 HG LEU A 53 0.852 2.725 3.743 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.570 1.014 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.227 1.573 4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.944 2.144 2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.800 2.541 1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.486 3.771 1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.133 4.204 1.833 1.00 0.00 H new ATOM 755 N VAL A 54 -1.020 6.994 2.274 1.00 0.00 N ATOM 756 CA VAL A 54 -1.849 8.118 1.871 1.00 0.00 C ATOM 757 C VAL A 54 -2.840 7.657 0.801 1.00 0.00 C ATOM 758 O VAL A 54 -2.440 7.275 -0.297 1.00 0.00 O ATOM 759 CB VAL A 54 -0.966 9.279 1.408 1.00 0.00 C ATOM 760 CG1 VAL A 54 -1.810 10.397 0.793 1.00 0.00 C ATOM 761 CG2 VAL A 54 -0.109 9.809 2.559 1.00 0.00 C ATOM 0 H VAL A 54 -0.687 6.412 1.505 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.431 8.486 2.716 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.294 8.903 0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.159 11.210 0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.357 10.009 -0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.517 10.769 1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.509 10.633 2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.756 10.161 3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.532 9.011 2.933 1.00 0.00 H new ATOM 771 N GLU A 55 -4.115 7.707 1.160 1.00 0.00 N ATOM 772 CA GLU A 55 -5.166 7.299 0.244 1.00 0.00 C ATOM 773 C GLU A 55 -5.366 8.360 -0.841 1.00 0.00 C ATOM 774 O GLU A 55 -5.523 9.541 -0.538 1.00 0.00 O ATOM 775 CB GLU A 55 -6.472 7.030 0.994 1.00 0.00 C ATOM 776 CG GLU A 55 -7.130 8.338 1.437 1.00 0.00 C ATOM 777 CD GLU A 55 -7.851 8.164 2.776 1.00 0.00 C ATOM 778 OE1 GLU A 55 -7.138 8.116 3.801 1.00 0.00 O ATOM 779 OE2 GLU A 55 -9.097 8.083 2.743 1.00 0.00 O ATOM 0 H GLU A 55 -4.443 8.024 2.072 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.862 6.369 -0.236 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.156 6.474 0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.273 6.406 1.865 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.374 9.118 1.526 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.840 8.667 0.678 1.00 0.00 H new ATOM 786 N CYS A 56 -5.354 7.899 -2.083 1.00 0.00 N ATOM 787 CA CYS A 56 -5.531 8.793 -3.215 1.00 0.00 C ATOM 788 C CYS A 56 -6.886 8.490 -3.858 1.00 0.00 C ATOM 789 O CYS A 56 -7.310 7.337 -3.908 1.00 0.00 O ATOM 790 CB CYS A 56 -4.383 8.670 -4.219 1.00 0.00 C ATOM 791 SG CYS A 56 -3.148 9.987 -3.922 1.00 0.00 S ATOM 0 H CYS A 56 -5.224 6.918 -2.330 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.515 9.827 -2.871 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.912 7.691 -4.127 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.769 8.744 -5.236 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.291 10.006 -4.899 1.00 0.00 H new ATOM 797 N HIS A 57 -7.529 9.547 -4.333 1.00 0.00 N ATOM 798 CA HIS A 57 -8.827 9.409 -4.970 1.00 0.00 C ATOM 799 C HIS A 57 -8.711 9.766 -6.454 1.00 0.00 C ATOM 800 O HIS A 57 -8.811 10.934 -6.825 1.00 0.00 O ATOM 801 CB HIS A 57 -9.882 10.244 -4.241 1.00 0.00 C ATOM 802 CG HIS A 57 -10.203 9.749 -2.851 1.00 0.00 C ATOM 803 ND1 HIS A 57 -10.390 8.410 -2.556 1.00 0.00 N ATOM 804 CD2 HIS A 57 -10.367 10.428 -1.679 1.00 0.00 C ATOM 805 CE1 HIS A 57 -10.655 8.299 -1.263 1.00 0.00 C ATOM 806 NE2 HIS A 57 -10.641 9.551 -0.721 1.00 0.00 N ATOM 0 H HIS A 57 -7.175 10.503 -4.289 1.00 0.00 H new ATOM 0 HA HIS A 57 -9.159 8.373 -4.905 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.534 11.275 -4.177 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -10.797 10.252 -4.833 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.287 11.498 -1.552 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.848 7.379 -0.731 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -10.813 9.776 0.259 1.00 0.00 H new ATOM 814 N PRO A 58 -8.496 8.710 -7.283 1.00 0.00 N ATOM 815 CA PRO A 58 -8.365 8.899 -8.718 1.00 0.00 C ATOM 816 C PRO A 58 -9.726 9.172 -9.361 1.00 0.00 C ATOM 817 O PRO A 58 -10.132 8.469 -10.286 1.00 0.00 O ATOM 818 CB PRO A 58 -7.713 7.624 -9.225 1.00 0.00 C ATOM 819 CG PRO A 58 -7.927 6.585 -8.137 1.00 0.00 C ATOM 820 CD PRO A 58 -8.372 7.312 -6.879 1.00 0.00 C ATOM 0 HA PRO A 58 -7.760 9.768 -8.975 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.162 7.303 -10.165 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.651 7.777 -9.415 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.680 5.859 -8.445 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.007 6.031 -7.952 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.320 6.921 -6.510 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.645 7.195 -6.076 1.00 0.00 H new ATOM 828 N HIS A 59 -10.394 10.194 -8.847 1.00 0.00 N ATOM 829 CA HIS A 59 -11.701 10.568 -9.359 1.00 0.00 C ATOM 830 C HIS A 59 -12.080 11.955 -8.835 1.00 0.00 C ATOM 831 O HIS A 59 -12.602 12.783 -9.581 1.00 0.00 O ATOM 832 CB HIS A 59 -12.744 9.501 -9.021 1.00 0.00 C ATOM 833 CG HIS A 59 -12.747 9.085 -7.569 1.00 0.00 C ATOM 834 ND1 HIS A 59 -11.607 8.662 -6.908 1.00 0.00 N ATOM 835 CD2 HIS A 59 -13.762 9.032 -6.659 1.00 0.00 C ATOM 836 CE1 HIS A 59 -11.933 8.370 -5.657 1.00 0.00 C ATOM 837 NE2 HIS A 59 -13.269 8.599 -5.505 1.00 0.00 N ATOM 0 H HIS A 59 -10.054 10.775 -8.081 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.666 10.626 -10.447 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.733 9.878 -9.283 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.564 8.622 -9.640 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.792 9.297 -6.846 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.259 8.013 -4.892 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.802 8.460 -4.646 1.00 0.00 H new ATOM 845 N LEU A 60 -11.803 12.165 -7.557 1.00 0.00 N ATOM 846 CA LEU A 60 -12.108 13.437 -6.925 1.00 0.00 C ATOM 847 C LEU A 60 -10.828 14.269 -6.817 1.00 0.00 C ATOM 848 O LEU A 60 -10.864 15.415 -6.373 1.00 0.00 O ATOM 849 CB LEU A 60 -12.811 13.214 -5.584 1.00 0.00 C ATOM 850 CG LEU A 60 -13.570 11.894 -5.436 1.00 0.00 C ATOM 851 CD1 LEU A 60 -14.216 11.785 -4.054 1.00 0.00 C ATOM 852 CD2 LEU A 60 -14.592 11.720 -6.562 1.00 0.00 C ATOM 0 H LEU A 60 -11.371 11.476 -6.942 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.808 14.007 -7.536 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.065 13.272 -4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.512 14.033 -5.423 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.854 11.077 -5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.749 10.838 -3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.443 11.832 -3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.917 12.608 -3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.118 10.774 -6.433 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.309 12.540 -6.533 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.078 11.722 -7.523 1.00 0.00 H new ATOM 864 N ALA A 61 -9.728 13.659 -7.232 1.00 0.00 N ATOM 865 CA ALA A 61 -8.439 14.329 -7.188 1.00 0.00 C ATOM 866 C ALA A 61 -8.163 14.801 -5.759 1.00 0.00 C ATOM 867 O ALA A 61 -7.757 15.943 -5.547 1.00 0.00 O ATOM 868 CB ALA A 61 -8.427 15.480 -8.196 1.00 0.00 C ATOM 0 H ALA A 61 -9.702 12.708 -7.600 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.640 13.643 -7.468 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.460 15.982 -8.163 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.598 15.088 -9.198 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.214 16.191 -7.946 1.00 0.00 H new ATOM 874 N LEU A 62 -8.395 13.900 -4.817 1.00 0.00 N ATOM 875 CA LEU A 62 -8.177 14.210 -3.414 1.00 0.00 C ATOM 876 C LEU A 62 -7.027 13.354 -2.880 1.00 0.00 C ATOM 877 O LEU A 62 -6.676 12.338 -3.477 1.00 0.00 O ATOM 878 CB LEU A 62 -9.478 14.057 -2.623 1.00 0.00 C ATOM 879 CG LEU A 62 -9.939 15.291 -1.844 1.00 0.00 C ATOM 880 CD1 LEU A 62 -10.242 16.454 -2.790 1.00 0.00 C ATOM 881 CD2 LEU A 62 -11.131 14.958 -0.945 1.00 0.00 C ATOM 0 H LEU A 62 -8.732 12.954 -4.997 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.880 15.252 -3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.270 13.773 -3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.358 13.232 -1.920 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.124 15.609 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.568 17.318 -2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.343 16.710 -3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -11.031 16.163 -3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.439 15.852 -0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.960 14.601 -1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.845 14.183 -0.234 1.00 0.00 H new ATOM 893 N GLU A 63 -6.473 13.797 -1.760 1.00 0.00 N ATOM 894 CA GLU A 63 -5.370 13.084 -1.139 1.00 0.00 C ATOM 895 C GLU A 63 -5.468 13.180 0.385 1.00 0.00 C ATOM 896 O GLU A 63 -5.259 14.248 0.958 1.00 0.00 O ATOM 897 CB GLU A 63 -4.024 13.615 -1.636 1.00 0.00 C ATOM 898 CG GLU A 63 -3.750 13.156 -3.070 1.00 0.00 C ATOM 899 CD GLU A 63 -3.887 14.321 -4.053 1.00 0.00 C ATOM 900 OE1 GLU A 63 -2.895 15.068 -4.190 1.00 0.00 O ATOM 901 OE2 GLU A 63 -4.981 14.436 -4.647 1.00 0.00 O ATOM 0 H GLU A 63 -6.768 14.640 -1.267 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.436 12.034 -1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.020 14.704 -1.592 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.227 13.266 -0.980 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.746 12.736 -3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.446 12.362 -3.341 1.00 0.00 H new ATOM 908 N ARG A 64 -5.785 12.049 0.998 1.00 0.00 N ATOM 909 CA ARG A 64 -5.914 11.992 2.444 1.00 0.00 C ATOM 910 C ARG A 64 -4.858 11.054 3.034 1.00 0.00 C ATOM 911 O ARG A 64 -4.594 9.986 2.483 1.00 0.00 O ATOM 912 CB ARG A 64 -7.305 11.506 2.855 1.00 0.00 C ATOM 913 CG ARG A 64 -7.384 11.286 4.367 1.00 0.00 C ATOM 914 CD ARG A 64 -8.593 12.010 4.964 1.00 0.00 C ATOM 915 NE ARG A 64 -9.845 11.384 4.485 1.00 0.00 N ATOM 916 CZ ARG A 64 -11.071 11.840 4.774 1.00 0.00 C ATOM 917 NH1 ARG A 64 -11.218 12.928 5.543 1.00 0.00 N ATOM 918 NH2 ARG A 64 -12.152 11.208 4.295 1.00 0.00 N ATOM 0 H ARG A 64 -5.956 11.165 0.519 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.766 13.001 2.830 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.054 12.237 2.551 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.537 10.576 2.336 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.453 10.219 4.580 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.470 11.647 4.839 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.550 11.970 6.052 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.572 13.063 4.682 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.770 10.553 3.898 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.396 13.409 5.908 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.152 13.275 5.763 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.041 10.380 3.710 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.085 11.556 4.515 1.00 0.00 H new ATOM 932 N GLY A 65 -4.284 11.486 4.147 1.00 0.00 N ATOM 933 CA GLY A 65 -3.263 10.698 4.817 1.00 0.00 C ATOM 934 C GLY A 65 -3.822 10.036 6.078 1.00 0.00 C ATOM 935 O GLY A 65 -4.574 10.657 6.829 1.00 0.00 O ATOM 0 H GLY A 65 -4.506 12.371 4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.884 9.934 4.138 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.420 11.337 5.080 1.00 0.00 H new ATOM 939 N LEU A 66 -3.434 8.784 6.273 1.00 0.00 N ATOM 940 CA LEU A 66 -3.887 8.032 7.430 1.00 0.00 C ATOM 941 C LEU A 66 -2.688 7.706 8.322 1.00 0.00 C ATOM 942 O LEU A 66 -1.552 7.665 7.851 1.00 0.00 O ATOM 943 CB LEU A 66 -4.680 6.799 6.991 1.00 0.00 C ATOM 944 CG LEU A 66 -3.995 5.891 5.967 1.00 0.00 C ATOM 945 CD1 LEU A 66 -4.443 4.438 6.136 1.00 0.00 C ATOM 946 CD2 LEU A 66 -4.226 6.400 4.542 1.00 0.00 C ATOM 0 H LEU A 66 -2.811 8.272 5.649 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.576 8.630 8.027 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.911 6.206 7.876 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.630 7.132 6.574 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.921 5.920 6.149 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.941 3.814 5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.185 4.092 7.137 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.522 4.371 5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.729 5.737 3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.295 6.420 4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.819 7.406 4.445 1.00 0.00 H new ATOM 958 N GLU A 67 -2.981 7.482 9.595 1.00 0.00 N ATOM 959 CA GLU A 67 -1.940 7.161 10.557 1.00 0.00 C ATOM 960 C GLU A 67 -1.564 5.682 10.458 1.00 0.00 C ATOM 961 O GLU A 67 -2.009 4.984 9.548 1.00 0.00 O ATOM 962 CB GLU A 67 -2.378 7.522 11.978 1.00 0.00 C ATOM 963 CG GLU A 67 -1.824 8.887 12.393 1.00 0.00 C ATOM 964 CD GLU A 67 -1.134 8.808 13.756 1.00 0.00 C ATOM 965 OE1 GLU A 67 -1.794 8.322 14.699 1.00 0.00 O ATOM 966 OE2 GLU A 67 0.039 9.235 13.824 1.00 0.00 O ATOM 0 H GLU A 67 -3.924 7.516 9.982 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.058 7.756 10.321 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.466 7.535 12.035 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.032 6.758 12.674 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.116 9.239 11.643 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.634 9.615 12.433 1.00 0.00 H new ATOM 973 N ASP A 68 -0.748 5.247 11.407 1.00 0.00 N ATOM 974 CA ASP A 68 -0.306 3.863 11.438 1.00 0.00 C ATOM 975 C ASP A 68 -1.431 2.986 11.992 1.00 0.00 C ATOM 976 O ASP A 68 -1.818 1.999 11.369 1.00 0.00 O ATOM 977 CB ASP A 68 0.915 3.694 12.344 1.00 0.00 C ATOM 978 CG ASP A 68 0.912 4.565 13.602 1.00 0.00 C ATOM 979 OD1 ASP A 68 0.244 4.152 14.576 1.00 0.00 O ATOM 980 OD2 ASP A 68 1.576 5.623 13.563 1.00 0.00 O ATOM 0 H ASP A 68 -0.381 5.829 12.160 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.043 3.570 10.422 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.984 2.648 12.644 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.811 3.919 11.766 1.00 0.00 H new ATOM 985 N HIS A 69 -1.924 3.378 13.158 1.00 0.00 N ATOM 986 CA HIS A 69 -2.996 2.640 13.804 1.00 0.00 C ATOM 987 C HIS A 69 -4.140 2.423 12.811 1.00 0.00 C ATOM 988 O HIS A 69 -4.882 1.448 12.916 1.00 0.00 O ATOM 989 CB HIS A 69 -3.447 3.345 15.084 1.00 0.00 C ATOM 990 CG HIS A 69 -4.294 4.572 14.843 1.00 0.00 C ATOM 991 ND1 HIS A 69 -3.760 5.787 14.452 1.00 0.00 N ATOM 992 CD2 HIS A 69 -5.642 4.758 14.942 1.00 0.00 C ATOM 993 CE1 HIS A 69 -4.750 6.658 14.324 1.00 0.00 C ATOM 994 NE2 HIS A 69 -5.915 6.018 14.629 1.00 0.00 N ATOM 0 H HIS A 69 -1.601 4.197 13.672 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.634 1.658 14.109 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -4.011 2.641 15.695 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.566 3.631 15.659 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.364 4.007 15.227 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -4.652 7.693 14.030 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -6.844 6.439 14.618 1.00 0.00 H new ATOM 1002 N GLU A 70 -4.247 3.350 11.870 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.288 3.273 10.859 1.00 0.00 C ATOM 1004 C GLU A 70 -5.186 1.954 10.091 1.00 0.00 C ATOM 1005 O GLU A 70 -4.091 1.527 9.727 1.00 0.00 O ATOM 1006 CB GLU A 70 -5.217 4.468 9.907 1.00 0.00 C ATOM 1007 CG GLU A 70 -5.830 5.716 10.547 1.00 0.00 C ATOM 1008 CD GLU A 70 -7.336 5.543 10.753 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -8.078 5.836 9.791 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -7.712 5.120 11.868 1.00 0.00 O ATOM 0 H GLU A 70 -3.630 4.158 11.787 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.256 3.306 11.359 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.178 4.664 9.641 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.744 4.233 8.982 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.348 5.912 11.505 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.643 6.583 9.913 1.00 0.00 H new ATOM 1017 N SER A 71 -6.341 1.345 9.867 1.00 0.00 N ATOM 1018 CA SER A 71 -6.395 0.083 9.149 1.00 0.00 C ATOM 1019 C SER A 71 -6.669 0.337 7.665 1.00 0.00 C ATOM 1020 O SER A 71 -7.730 0.841 7.303 1.00 0.00 O ATOM 1021 CB SER A 71 -7.465 -0.840 9.736 1.00 0.00 C ATOM 1022 OG SER A 71 -6.931 -1.718 10.722 1.00 0.00 O ATOM 0 H SER A 71 -7.247 1.702 10.170 1.00 0.00 H new ATOM 0 HA SER A 71 -5.430 -0.412 9.255 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.259 -0.239 10.178 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.917 -1.426 8.936 1.00 0.00 H new ATOM 0 HG SER A 71 -7.646 -2.289 11.073 1.00 0.00 H new ATOM 1028 N VAL A 72 -5.692 -0.025 6.846 1.00 0.00 N ATOM 1029 CA VAL A 72 -5.815 0.157 5.409 1.00 0.00 C ATOM 1030 C VAL A 72 -7.129 -0.463 4.931 1.00 0.00 C ATOM 1031 O VAL A 72 -7.818 0.108 4.088 1.00 0.00 O ATOM 1032 CB VAL A 72 -4.588 -0.423 4.702 1.00 0.00 C ATOM 1033 CG1 VAL A 72 -3.430 0.578 4.704 1.00 0.00 C ATOM 1034 CG2 VAL A 72 -4.166 -1.750 5.335 1.00 0.00 C ATOM 0 H VAL A 72 -4.813 -0.443 7.150 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.847 1.218 5.159 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.861 -0.619 3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.571 0.141 4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.734 1.487 4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.159 0.819 5.732 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.292 -2.140 4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.921 -1.591 6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.984 -2.466 5.258 1.00 0.00 H new ATOM 1044 N VAL A 73 -7.437 -1.624 5.491 1.00 0.00 N ATOM 1045 CA VAL A 73 -8.656 -2.328 5.132 1.00 0.00 C ATOM 1046 C VAL A 73 -9.866 -1.507 5.586 1.00 0.00 C ATOM 1047 O VAL A 73 -10.689 -1.103 4.766 1.00 0.00 O ATOM 1048 CB VAL A 73 -8.638 -3.740 5.719 1.00 0.00 C ATOM 1049 CG1 VAL A 73 -9.900 -4.512 5.330 1.00 0.00 C ATOM 1050 CG2 VAL A 73 -7.379 -4.496 5.289 1.00 0.00 C ATOM 0 H VAL A 73 -6.863 -2.094 6.191 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.727 -2.442 4.050 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.621 -3.651 6.805 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.862 -5.513 5.760 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.778 -3.988 5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.961 -4.586 4.244 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.391 -5.497 5.720 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.352 -4.569 4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.496 -3.961 5.639 1.00 0.00 H new ATOM 1060 N GLU A 74 -9.934 -1.287 6.890 1.00 0.00 N ATOM 1061 CA GLU A 74 -11.029 -0.522 7.463 1.00 0.00 C ATOM 1062 C GLU A 74 -11.206 0.798 6.710 1.00 0.00 C ATOM 1063 O GLU A 74 -12.331 1.236 6.474 1.00 0.00 O ATOM 1064 CB GLU A 74 -10.803 -0.275 8.956 1.00 0.00 C ATOM 1065 CG GLU A 74 -10.774 -1.594 9.732 1.00 0.00 C ATOM 1066 CD GLU A 74 -11.328 -1.411 11.146 1.00 0.00 C ATOM 1067 OE1 GLU A 74 -12.418 -0.809 11.255 1.00 0.00 O ATOM 1068 OE2 GLU A 74 -10.648 -1.876 12.086 1.00 0.00 O ATOM 0 H GLU A 74 -9.249 -1.625 7.566 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.945 -1.103 7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.863 0.258 9.102 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.595 0.364 9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.361 -2.345 9.202 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.751 -1.967 9.784 1.00 0.00 H new ATOM 1075 N VAL A 75 -10.078 1.395 6.353 1.00 0.00 N ATOM 1076 CA VAL A 75 -10.095 2.656 5.631 1.00 0.00 C ATOM 1077 C VAL A 75 -10.416 2.391 4.159 1.00 0.00 C ATOM 1078 O VAL A 75 -11.015 3.233 3.490 1.00 0.00 O ATOM 1079 CB VAL A 75 -8.767 3.390 5.831 1.00 0.00 C ATOM 1080 CG1 VAL A 75 -8.735 4.693 5.029 1.00 0.00 C ATOM 1081 CG2 VAL A 75 -8.503 3.653 7.315 1.00 0.00 C ATOM 0 H VAL A 75 -9.147 1.029 6.550 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.875 3.310 6.021 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.970 2.747 5.458 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.781 5.195 5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.855 4.471 3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.546 5.343 5.358 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.553 4.176 7.429 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.306 4.266 7.724 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.462 2.705 7.851 1.00 0.00 H new ATOM 1091 N GLN A 76 -10.005 1.220 3.697 1.00 0.00 N ATOM 1092 CA GLN A 76 -10.242 0.834 2.317 1.00 0.00 C ATOM 1093 C GLN A 76 -11.713 0.466 2.113 1.00 0.00 C ATOM 1094 O GLN A 76 -12.271 0.693 1.041 1.00 0.00 O ATOM 1095 CB GLN A 76 -9.325 -0.320 1.904 1.00 0.00 C ATOM 1096 CG GLN A 76 -9.932 -1.115 0.747 1.00 0.00 C ATOM 1097 CD GLN A 76 -8.841 -1.644 -0.186 1.00 0.00 C ATOM 1098 OE1 GLN A 76 -8.363 -0.959 -1.075 1.00 0.00 O ATOM 1099 NE2 GLN A 76 -8.476 -2.899 0.064 1.00 0.00 N ATOM 0 H GLN A 76 -9.509 0.525 4.255 1.00 0.00 H new ATOM 0 HA GLN A 76 -10.009 1.686 1.678 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.351 0.072 1.609 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.159 -0.980 2.756 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.515 -1.948 1.140 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.619 -0.481 0.186 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.917 -3.417 0.824 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.755 -3.343 -0.505 1.00 0.00 H new ATOM 1108 N ALA A 77 -12.298 -0.098 3.160 1.00 0.00 N ATOM 1109 CA ALA A 77 -13.694 -0.500 3.110 1.00 0.00 C ATOM 1110 C ALA A 77 -14.582 0.745 3.172 1.00 0.00 C ATOM 1111 O ALA A 77 -15.758 0.691 2.817 1.00 0.00 O ATOM 1112 CB ALA A 77 -13.984 -1.481 4.248 1.00 0.00 C ATOM 0 H ALA A 77 -11.831 -0.286 4.047 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.912 -1.014 2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.031 -1.782 4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.349 -2.360 4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.779 -1.000 5.204 1.00 0.00 H new ATOM 1118 N ALA A 78 -13.984 1.836 3.627 1.00 0.00 N ATOM 1119 CA ALA A 78 -14.706 3.092 3.741 1.00 0.00 C ATOM 1120 C ALA A 78 -14.885 3.700 2.348 1.00 0.00 C ATOM 1121 O ALA A 78 -15.943 4.246 2.037 1.00 0.00 O ATOM 1122 CB ALA A 78 -13.957 4.027 4.693 1.00 0.00 C ATOM 0 H ALA A 78 -13.008 1.876 3.921 1.00 0.00 H new ATOM 0 HA ALA A 78 -15.699 2.928 4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -14.498 4.969 4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -13.881 3.561 5.676 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -12.957 4.217 4.304 1.00 0.00 H new ATOM 1128 N TRP A 79 -13.836 3.585 1.548 1.00 0.00 N ATOM 1129 CA TRP A 79 -13.864 4.117 0.196 1.00 0.00 C ATOM 1130 C TRP A 79 -15.175 3.676 -0.458 1.00 0.00 C ATOM 1131 O TRP A 79 -15.611 2.540 -0.280 1.00 0.00 O ATOM 1132 CB TRP A 79 -12.627 3.680 -0.591 1.00 0.00 C ATOM 1133 CG TRP A 79 -11.303 4.126 0.032 1.00 0.00 C ATOM 1134 CD1 TRP A 79 -11.112 5.026 1.006 1.00 0.00 C ATOM 1135 CD2 TRP A 79 -9.986 3.651 -0.317 1.00 0.00 C ATOM 1136 NE1 TRP A 79 -9.773 5.166 1.309 1.00 0.00 N ATOM 1137 CE2 TRP A 79 -9.066 4.303 0.479 1.00 0.00 C ATOM 1138 CE3 TRP A 79 -9.584 2.702 -1.273 1.00 0.00 C ATOM 1139 CZ2 TRP A 79 -7.687 4.077 0.400 1.00 0.00 C ATOM 1140 CZ3 TRP A 79 -8.202 2.487 -1.340 1.00 0.00 C ATOM 1141 CH2 TRP A 79 -7.264 3.136 -0.546 1.00 0.00 C ATOM 0 H TRP A 79 -12.961 3.131 1.810 1.00 0.00 H new ATOM 0 HA TRP A 79 -13.830 5.206 0.209 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -12.629 2.593 -0.676 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -12.693 4.079 -1.603 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.906 5.573 1.493 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.375 5.788 2.013 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.286 2.180 -1.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -6.987 4.600 1.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -7.840 1.767 -2.059 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -6.213 2.915 -0.658 1.00 0.00 H new ATOM 1152 N PRO A 80 -15.784 4.623 -1.221 1.00 0.00 N ATOM 1153 CA PRO A 80 -17.037 4.344 -1.903 1.00 0.00 C ATOM 1154 C PRO A 80 -16.809 3.455 -3.127 1.00 0.00 C ATOM 1155 O PRO A 80 -15.670 3.240 -3.539 1.00 0.00 O ATOM 1156 CB PRO A 80 -17.604 5.709 -2.257 1.00 0.00 C ATOM 1157 CG PRO A 80 -16.437 6.679 -2.179 1.00 0.00 C ATOM 1158 CD PRO A 80 -15.297 5.980 -1.455 1.00 0.00 C ATOM 0 HA PRO A 80 -17.738 3.785 -1.283 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.041 5.703 -3.256 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.396 5.994 -1.564 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -16.125 6.982 -3.178 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.728 7.585 -1.647 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -14.388 5.976 -2.057 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -15.056 6.482 -0.518 1.00 0.00 H new ATOM 1166 N VAL A 81 -17.910 2.961 -3.673 1.00 0.00 N ATOM 1167 CA VAL A 81 -17.845 2.100 -4.842 1.00 0.00 C ATOM 1168 C VAL A 81 -17.491 2.941 -6.070 1.00 0.00 C ATOM 1169 O VAL A 81 -16.632 2.557 -6.863 1.00 0.00 O ATOM 1170 CB VAL A 81 -19.159 1.333 -5.001 1.00 0.00 C ATOM 1171 CG1 VAL A 81 -20.320 2.288 -5.284 1.00 0.00 C ATOM 1172 CG2 VAL A 81 -19.044 0.269 -6.094 1.00 0.00 C ATOM 0 H VAL A 81 -18.853 3.140 -3.328 1.00 0.00 H new ATOM 0 HA VAL A 81 -17.061 1.352 -4.723 1.00 0.00 H new ATOM 0 HB VAL A 81 -19.366 0.824 -4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -21.242 1.717 -5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -20.423 2.990 -4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -20.123 2.838 -6.204 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -19.992 -0.262 -6.186 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -18.802 0.747 -7.043 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -18.257 -0.438 -5.832 1.00 0.00 H new ATOM 1182 N GLY A 82 -18.171 4.071 -6.190 1.00 0.00 N ATOM 1183 CA GLY A 82 -17.939 4.969 -7.308 1.00 0.00 C ATOM 1184 C GLY A 82 -16.646 5.764 -7.115 1.00 0.00 C ATOM 1185 O GLY A 82 -16.668 6.993 -7.075 1.00 0.00 O ATOM 0 H GLY A 82 -18.883 4.386 -5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -17.883 4.396 -8.233 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -18.780 5.655 -7.408 1.00 0.00 H new ATOM 1189 N GLY A 83 -15.550 5.029 -7.000 1.00 0.00 N ATOM 1190 CA GLY A 83 -14.249 5.649 -6.811 1.00 0.00 C ATOM 1191 C GLY A 83 -13.165 4.593 -6.586 1.00 0.00 C ATOM 1192 O GLY A 83 -13.103 3.979 -5.522 1.00 0.00 O ATOM 0 H GLY A 83 -15.536 4.010 -7.034 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.999 6.251 -7.684 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.285 6.325 -5.957 1.00 0.00 H new ATOM 1196 N ASP A 84 -12.338 4.414 -7.605 1.00 0.00 N ATOM 1197 CA ASP A 84 -11.259 3.443 -7.531 1.00 0.00 C ATOM 1198 C ASP A 84 -10.153 3.984 -6.624 1.00 0.00 C ATOM 1199 O ASP A 84 -9.022 4.179 -7.067 1.00 0.00 O ATOM 1200 CB ASP A 84 -10.654 3.186 -8.913 1.00 0.00 C ATOM 1201 CG ASP A 84 -11.394 2.148 -9.760 1.00 0.00 C ATOM 1202 OD1 ASP A 84 -12.385 2.547 -10.409 1.00 0.00 O ATOM 1203 OD2 ASP A 84 -10.951 0.979 -9.739 1.00 0.00 O ATOM 0 H ASP A 84 -12.393 4.925 -8.486 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.669 2.513 -7.138 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.626 4.127 -9.462 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.622 2.860 -8.786 1.00 0.00 H new ATOM 1208 N SER A 85 -10.517 4.212 -5.371 1.00 0.00 N ATOM 1209 CA SER A 85 -9.569 4.726 -4.397 1.00 0.00 C ATOM 1210 C SER A 85 -8.368 3.785 -4.288 1.00 0.00 C ATOM 1211 O SER A 85 -8.481 2.594 -4.571 1.00 0.00 O ATOM 1212 CB SER A 85 -10.229 4.906 -3.028 1.00 0.00 C ATOM 1213 OG SER A 85 -11.078 6.049 -2.991 1.00 0.00 O ATOM 0 H SER A 85 -11.456 4.050 -5.007 1.00 0.00 H new ATOM 0 HA SER A 85 -9.226 5.703 -4.736 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.809 4.016 -2.785 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.458 5.002 -2.264 1.00 0.00 H new ATOM 0 HG SER A 85 -10.547 6.857 -3.151 1.00 0.00 H new ATOM 1219 N ARG A 86 -7.245 4.356 -3.878 1.00 0.00 N ATOM 1220 CA ARG A 86 -6.024 3.583 -3.729 1.00 0.00 C ATOM 1221 C ARG A 86 -5.125 4.211 -2.661 1.00 0.00 C ATOM 1222 O ARG A 86 -5.403 5.307 -2.177 1.00 0.00 O ATOM 1223 CB ARG A 86 -5.256 3.505 -5.050 1.00 0.00 C ATOM 1224 CG ARG A 86 -4.999 4.902 -5.618 1.00 0.00 C ATOM 1225 CD ARG A 86 -3.518 5.271 -5.515 1.00 0.00 C ATOM 1226 NE ARG A 86 -3.239 6.475 -6.330 1.00 0.00 N ATOM 1227 CZ ARG A 86 -3.240 6.491 -7.670 1.00 0.00 C ATOM 1228 NH1 ARG A 86 -3.505 5.370 -8.353 1.00 0.00 N ATOM 1229 NH2 ARG A 86 -2.975 7.630 -8.326 1.00 0.00 N ATOM 0 H ARG A 86 -7.155 5.345 -3.644 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.305 2.575 -3.426 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.307 2.992 -4.893 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.823 2.914 -5.770 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.315 4.938 -6.661 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.599 5.634 -5.077 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.252 5.457 -4.474 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.903 4.439 -5.858 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.033 7.346 -5.841 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.706 4.504 -7.853 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.506 5.382 -9.373 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.773 8.483 -7.805 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.976 7.643 -9.346 1.00 0.00 H new ATOM 1243 N PHE A 87 -4.066 3.489 -2.325 1.00 0.00 N ATOM 1244 CA PHE A 87 -3.125 3.962 -1.324 1.00 0.00 C ATOM 1245 C PHE A 87 -1.811 4.403 -1.972 1.00 0.00 C ATOM 1246 O PHE A 87 -1.419 3.874 -3.011 1.00 0.00 O ATOM 1247 CB PHE A 87 -2.848 2.789 -0.382 1.00 0.00 C ATOM 1248 CG PHE A 87 -3.887 2.623 0.728 1.00 0.00 C ATOM 1249 CD1 PHE A 87 -3.953 3.530 1.739 1.00 0.00 C ATOM 1250 CD2 PHE A 87 -4.745 1.568 0.703 1.00 0.00 C ATOM 1251 CE1 PHE A 87 -4.918 3.376 2.769 1.00 0.00 C ATOM 1252 CE2 PHE A 87 -5.710 1.414 1.734 1.00 0.00 C ATOM 1253 CZ PHE A 87 -5.776 2.321 2.745 1.00 0.00 C ATOM 0 H PHE A 87 -3.839 2.580 -2.728 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.543 4.819 -0.795 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.806 1.870 -0.966 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.866 2.924 0.071 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.271 4.367 1.758 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.693 0.848 -0.100 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.971 4.097 3.572 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.391 0.576 1.715 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.510 2.204 3.529 1.00 0.00 H new ATOM 1263 N VAL A 88 -1.166 5.367 -1.331 1.00 0.00 N ATOM 1264 CA VAL A 88 0.096 5.884 -1.831 1.00 0.00 C ATOM 1265 C VAL A 88 1.116 5.916 -0.692 1.00 0.00 C ATOM 1266 O VAL A 88 0.765 6.194 0.453 1.00 0.00 O ATOM 1267 CB VAL A 88 -0.121 7.254 -2.479 1.00 0.00 C ATOM 1268 CG1 VAL A 88 1.201 7.838 -2.981 1.00 0.00 C ATOM 1269 CG2 VAL A 88 -1.147 7.169 -3.610 1.00 0.00 C ATOM 0 H VAL A 88 -1.494 5.803 -0.470 1.00 0.00 H new ATOM 0 HA VAL A 88 0.496 5.232 -2.607 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.517 7.926 -1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.019 8.811 -3.437 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.889 7.953 -2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.638 7.167 -3.721 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.283 8.156 -4.053 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.792 6.475 -4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.099 6.816 -3.212 1.00 0.00 H new ATOM 1279 N PHE A 89 2.360 5.628 -1.047 1.00 0.00 N ATOM 1280 CA PHE A 89 3.434 5.621 -0.068 1.00 0.00 C ATOM 1281 C PHE A 89 4.306 6.871 -0.201 1.00 0.00 C ATOM 1282 O PHE A 89 4.951 7.076 -1.228 1.00 0.00 O ATOM 1283 CB PHE A 89 4.290 4.385 -0.353 1.00 0.00 C ATOM 1284 CG PHE A 89 5.204 3.981 0.805 1.00 0.00 C ATOM 1285 CD1 PHE A 89 4.720 3.950 2.075 1.00 0.00 C ATOM 1286 CD2 PHE A 89 6.502 3.652 0.564 1.00 0.00 C ATOM 1287 CE1 PHE A 89 5.569 3.575 3.150 1.00 0.00 C ATOM 1288 CE2 PHE A 89 7.351 3.277 1.639 1.00 0.00 C ATOM 1289 CZ PHE A 89 6.866 3.247 2.909 1.00 0.00 C ATOM 0 H PHE A 89 2.648 5.398 -1.998 1.00 0.00 H new ATOM 0 HA PHE A 89 3.019 5.606 0.940 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.634 3.549 -0.593 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.901 4.574 -1.236 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.690 4.211 2.267 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.887 3.676 -0.445 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.184 3.550 4.159 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.381 3.016 1.448 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.512 2.962 3.727 1.00 0.00 H new ATOM 1299 N ARG A 90 4.297 7.675 0.852 1.00 0.00 N ATOM 1300 CA ARG A 90 5.078 8.900 0.866 1.00 0.00 C ATOM 1301 C ARG A 90 5.504 9.241 2.295 1.00 0.00 C ATOM 1302 O ARG A 90 4.774 8.969 3.246 1.00 0.00 O ATOM 1303 CB ARG A 90 4.280 10.069 0.286 1.00 0.00 C ATOM 1304 CG ARG A 90 2.883 10.140 0.905 1.00 0.00 C ATOM 1305 CD ARG A 90 1.837 10.521 -0.145 1.00 0.00 C ATOM 1306 NE ARG A 90 2.314 11.676 -0.938 1.00 0.00 N ATOM 1307 CZ ARG A 90 1.750 12.085 -2.083 1.00 0.00 C ATOM 1308 NH1 ARG A 90 0.686 11.436 -2.575 1.00 0.00 N ATOM 1309 NH2 ARG A 90 2.250 13.143 -2.735 1.00 0.00 N ATOM 0 H ARG A 90 3.761 7.502 1.702 1.00 0.00 H new ATOM 0 HA ARG A 90 5.962 8.737 0.249 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.811 11.003 0.470 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.197 9.957 -0.795 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.627 9.176 1.346 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.876 10.872 1.713 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.644 9.673 -0.802 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.894 10.768 0.342 1.00 0.00 H new ATOM 0 HE ARG A 90 3.122 12.193 -0.592 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.305 10.631 -2.078 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.257 11.747 -3.446 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.060 13.637 -2.360 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.821 13.454 -3.606 1.00 0.00 H new ATOM 1323 N LYS A 91 6.685 9.832 2.401 1.00 0.00 N ATOM 1324 CA LYS A 91 7.218 10.214 3.698 1.00 0.00 C ATOM 1325 C LYS A 91 7.047 11.722 3.891 1.00 0.00 C ATOM 1326 O LYS A 91 7.146 12.224 5.010 1.00 0.00 O ATOM 1327 CB LYS A 91 8.663 9.734 3.847 1.00 0.00 C ATOM 1328 CG LYS A 91 9.527 10.231 2.686 1.00 0.00 C ATOM 1329 CD LYS A 91 11.013 10.184 3.049 1.00 0.00 C ATOM 1330 CE LYS A 91 11.836 9.577 1.911 1.00 0.00 C ATOM 1331 NZ LYS A 91 12.823 10.558 1.406 1.00 0.00 N ATOM 0 H LYS A 91 7.288 10.056 1.610 1.00 0.00 H new ATOM 0 HA LYS A 91 6.661 9.725 4.497 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.074 10.093 4.791 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.687 8.645 3.883 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.345 9.617 1.804 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.244 11.252 2.428 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.371 11.191 3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.151 9.596 3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.350 8.683 2.263 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.175 9.267 1.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.374 10.131 0.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.326 11.400 1.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.464 10.834 2.177 1.00 0.00 H new ATOM 1345 N ASN A 92 6.793 12.403 2.783 1.00 0.00 N ATOM 1346 CA ASN A 92 6.608 13.844 2.816 1.00 0.00 C ATOM 1347 C ASN A 92 5.232 14.190 2.245 1.00 0.00 C ATOM 1348 O ASN A 92 5.021 14.115 1.035 1.00 0.00 O ATOM 1349 CB ASN A 92 7.665 14.554 1.968 1.00 0.00 C ATOM 1350 CG ASN A 92 7.797 13.897 0.593 1.00 0.00 C ATOM 1351 OD1 ASN A 92 8.451 12.882 0.422 1.00 0.00 O ATOM 1352 ND2 ASN A 92 7.141 14.531 -0.375 1.00 0.00 N ATOM 0 H ASN A 92 6.711 11.984 1.857 1.00 0.00 H new ATOM 0 HA ASN A 92 6.697 14.172 3.852 1.00 0.00 H new ATOM 0 HB2 ASN A 92 7.396 15.604 1.849 1.00 0.00 H new ATOM 0 HB3 ASN A 92 8.626 14.527 2.481 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.167 14.171 -1.329 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.612 15.377 -0.163 1.00 0.00 H new ATOM 1359 N PHE A 93 4.330 14.562 3.141 1.00 0.00 N ATOM 1360 CA PHE A 93 2.980 14.920 2.741 1.00 0.00 C ATOM 1361 C PHE A 93 2.133 15.306 3.955 1.00 0.00 C ATOM 1362 O PHE A 93 1.529 14.445 4.595 1.00 0.00 O ATOM 1363 CB PHE A 93 2.367 13.684 2.079 1.00 0.00 C ATOM 1364 CG PHE A 93 0.847 13.750 1.925 1.00 0.00 C ATOM 1365 CD1 PHE A 93 0.293 14.554 0.978 1.00 0.00 C ATOM 1366 CD2 PHE A 93 0.048 13.004 2.735 1.00 0.00 C ATOM 1367 CE1 PHE A 93 -1.119 14.615 0.836 1.00 0.00 C ATOM 1368 CE2 PHE A 93 -1.363 13.066 2.593 1.00 0.00 C ATOM 1369 CZ PHE A 93 -1.917 13.870 1.646 1.00 0.00 C ATOM 0 H PHE A 93 4.508 14.623 4.144 1.00 0.00 H new ATOM 0 HA PHE A 93 3.007 15.774 2.064 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.816 13.551 1.095 1.00 0.00 H new ATOM 0 HB3 PHE A 93 2.624 12.804 2.668 1.00 0.00 H new ATOM 0 HD1 PHE A 93 0.927 15.146 0.334 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.487 12.364 3.486 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.559 15.254 0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.997 12.475 3.237 1.00 0.00 H new ATOM 0 HZ PHE A 93 -2.991 13.916 1.538 1.00 0.00 H new ATOM 1379 N ALA A 94 2.114 16.600 4.237 1.00 0.00 N ATOM 1380 CA ALA A 94 1.351 17.111 5.363 1.00 0.00 C ATOM 1381 C ALA A 94 1.425 18.639 5.373 1.00 0.00 C ATOM 1382 O ALA A 94 1.912 19.247 4.421 1.00 0.00 O ATOM 1383 CB ALA A 94 1.878 16.493 6.659 1.00 0.00 C ATOM 0 H ALA A 94 2.615 17.311 3.704 1.00 0.00 H new ATOM 0 HA ALA A 94 0.301 16.833 5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.306 16.876 7.504 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.775 15.409 6.613 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.929 16.753 6.785 1.00 0.00 H new ATOM 1389 N SER A 95 0.934 19.216 6.459 1.00 0.00 N ATOM 1390 CA SER A 95 0.938 20.662 6.606 1.00 0.00 C ATOM 1391 C SER A 95 1.588 21.051 7.935 1.00 0.00 C ATOM 1392 O SER A 95 1.002 20.852 8.998 1.00 0.00 O ATOM 1393 CB SER A 95 -0.481 21.228 6.522 1.00 0.00 C ATOM 1394 OG SER A 95 -0.481 22.636 6.301 1.00 0.00 O ATOM 0 H SER A 95 0.530 18.709 7.246 1.00 0.00 H new ATOM 0 HA SER A 95 1.518 21.088 5.787 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.021 20.734 5.714 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.015 21.006 7.446 1.00 0.00 H new ATOM 0 HG SER A 95 -1.405 22.959 6.252 1.00 0.00 H new ATOM 1400 N GLY A 96 2.790 21.599 7.832 1.00 0.00 N ATOM 1401 CA GLY A 96 3.525 22.018 9.013 1.00 0.00 C ATOM 1402 C GLY A 96 4.626 21.013 9.358 1.00 0.00 C ATOM 1403 O GLY A 96 4.376 19.810 9.421 1.00 0.00 O ATOM 0 H GLY A 96 3.273 21.762 6.949 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.965 23.001 8.842 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.841 22.117 9.856 1.00 0.00 H new ATOM 1407 N PRO A 97 5.852 21.557 9.580 1.00 0.00 N ATOM 1408 CA PRO A 97 6.992 20.722 9.917 1.00 0.00 C ATOM 1409 C PRO A 97 6.907 20.238 11.366 1.00 0.00 C ATOM 1410 O PRO A 97 6.321 20.909 12.215 1.00 0.00 O ATOM 1411 CB PRO A 97 8.210 21.592 9.652 1.00 0.00 C ATOM 1412 CG PRO A 97 7.701 23.024 9.622 1.00 0.00 C ATOM 1413 CD PRO A 97 6.185 22.977 9.514 1.00 0.00 C ATOM 0 HA PRO A 97 7.035 19.809 9.323 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.961 21.461 10.431 1.00 0.00 H new ATOM 0 HB3 PRO A 97 8.682 21.325 8.706 1.00 0.00 H new ATOM 0 HG2 PRO A 97 8.003 23.556 10.524 1.00 0.00 H new ATOM 0 HG3 PRO A 97 8.128 23.563 8.776 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.713 23.532 10.324 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.841 23.421 8.580 1.00 0.00 H new ATOM 1421 N SER A 98 7.501 19.078 11.605 1.00 0.00 N ATOM 1422 CA SER A 98 7.500 18.497 12.937 1.00 0.00 C ATOM 1423 C SER A 98 8.838 17.807 13.207 1.00 0.00 C ATOM 1424 O SER A 98 9.537 18.150 14.160 1.00 0.00 O ATOM 1425 CB SER A 98 6.348 17.505 13.104 1.00 0.00 C ATOM 1426 OG SER A 98 6.252 16.607 12.001 1.00 0.00 O ATOM 0 H SER A 98 7.986 18.525 10.899 1.00 0.00 H new ATOM 0 HA SER A 98 7.360 19.300 13.661 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.490 16.936 14.023 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.411 18.052 13.209 1.00 0.00 H new ATOM 0 HG SER A 98 5.506 15.989 12.146 1.00 0.00 H new ATOM 1432 N SER A 99 9.156 16.846 12.352 1.00 0.00 N ATOM 1433 CA SER A 99 10.398 16.104 12.487 1.00 0.00 C ATOM 1434 C SER A 99 10.474 15.458 13.872 1.00 0.00 C ATOM 1435 O SER A 99 10.684 16.145 14.871 1.00 0.00 O ATOM 1436 CB SER A 99 11.609 17.011 12.258 1.00 0.00 C ATOM 1437 OG SER A 99 11.862 17.222 10.871 1.00 0.00 O ATOM 0 H SER A 99 8.575 16.564 11.563 1.00 0.00 H new ATOM 0 HA SER A 99 10.414 15.323 11.727 1.00 0.00 H new ATOM 0 HB2 SER A 99 11.441 17.971 12.746 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.489 16.566 12.724 1.00 0.00 H new ATOM 0 HG SER A 99 12.641 17.807 10.766 1.00 0.00 H new ATOM 1443 N GLY A 100 10.299 14.145 13.888 1.00 0.00 N ATOM 1444 CA GLY A 100 10.345 13.398 15.133 1.00 0.00 C ATOM 1445 C GLY A 100 11.123 12.092 14.961 1.00 0.00 C ATOM 1446 O GLY A 100 11.507 11.460 15.944 1.00 0.00 O ATOM 0 H GLY A 100 10.125 13.579 13.058 1.00 0.00 H new ATOM 0 HA2 GLY A 100 10.813 14.005 15.908 1.00 0.00 H new ATOM 0 HA3 GLY A 100 9.331 13.180 15.468 1.00 0.00 H new TER 1450 GLY A 100