USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 648 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 25 TYR OH : rot 165:sc= -0.664 USER MOD Set 1.2: A 29 ASN : amide:sc= -0.207 K(o=-0.87,f=-4.3!) 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 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 42:sc= 0.403 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -131:sc= 0 (180deg=-0.0781) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 18 GLN : amide:sc= -2.14! K(o=-2.1!,f=-1) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -175:sc= 0 (180deg=-0.128) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.719 K(o=-0.72,f=0.045) USER MOD Single : A 31 ASN : amide:sc= -1.17 K(o=-1.2,f=0.034) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.0463 X(o=-0.046,f=-0.29) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -146:sc= -4.68! (180deg=-5.43!) USER MOD Single : A 44 THR OG1 : rot -52:sc= 1.31 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -136:sc= -1.22 (180deg=-3.18!) USER MOD Single : A 52 GLN : amide:sc= -0.193 X(o=-0.19,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0.105 X(o=0.11,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -3.24! C(o=-3.2!,f=-2.3!) USER MOD Single : A 69 GLN : amide:sc= -0.0259 X(o=-0.026,f=-0.026) USER MOD Single : A 71 ASN : amide:sc= -0.844! C(o=-0.84!,f=-1.4!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 5:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.285 -30.012 -9.784 1.00 0.00 N ATOM 2 CA GLY A 1 1.838 -30.012 -9.684 1.00 0.00 C ATOM 3 C GLY A 1 1.262 -28.611 -9.614 1.00 0.00 C ATOM 4 O GLY A 1 0.856 -28.048 -10.629 1.00 0.00 O ATOM 0 H1 GLY A 1 3.630 -30.992 -9.829 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.574 -29.504 -10.644 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.691 -29.540 -8.951 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.417 -30.532 -10.545 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.538 -30.570 -8.797 1.00 0.00 H new ATOM 8 N SER A 2 1.225 -28.047 -8.410 1.00 0.00 N ATOM 9 CA SER A 2 0.690 -26.706 -8.210 1.00 0.00 C ATOM 10 C SER A 2 1.199 -25.752 -9.286 1.00 0.00 C ATOM 11 O SER A 2 2.387 -25.741 -9.609 1.00 0.00 O ATOM 12 CB SER A 2 1.073 -26.183 -6.824 1.00 0.00 C ATOM 13 OG SER A 2 0.510 -26.986 -5.803 1.00 0.00 O ATOM 0 H SER A 2 1.559 -28.499 -7.559 1.00 0.00 H new ATOM 0 HA SER A 2 -0.396 -26.760 -8.282 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.158 -26.170 -6.724 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.730 -25.154 -6.713 1.00 0.00 H new ATOM 0 HG SER A 2 0.771 -26.632 -4.927 1.00 0.00 H new ATOM 19 N SER A 3 0.292 -24.951 -9.835 1.00 0.00 N ATOM 20 CA SER A 3 0.647 -23.995 -10.877 1.00 0.00 C ATOM 21 C SER A 3 1.236 -22.725 -10.272 1.00 0.00 C ATOM 22 O SER A 3 0.698 -22.175 -9.311 1.00 0.00 O ATOM 23 CB SER A 3 -0.581 -23.649 -11.722 1.00 0.00 C ATOM 24 OG SER A 3 -0.843 -24.661 -12.679 1.00 0.00 O ATOM 0 H SER A 3 -0.694 -24.945 -9.576 1.00 0.00 H new ATOM 0 HA SER A 3 1.401 -24.456 -11.516 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.449 -23.523 -11.074 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.421 -22.697 -12.229 1.00 0.00 H new ATOM 0 HG SER A 3 -1.633 -24.417 -13.205 1.00 0.00 H new ATOM 30 N GLY A 4 2.345 -22.263 -10.841 1.00 0.00 N ATOM 31 CA GLY A 4 2.990 -21.062 -10.345 1.00 0.00 C ATOM 32 C GLY A 4 3.055 -19.965 -11.389 1.00 0.00 C ATOM 33 O GLY A 4 3.990 -19.915 -12.188 1.00 0.00 O ATOM 0 H GLY A 4 2.809 -22.700 -11.638 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.449 -20.697 -9.472 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.000 -21.306 -10.015 1.00 0.00 H new ATOM 37 N SER A 5 2.059 -19.085 -11.383 1.00 0.00 N ATOM 38 CA SER A 5 2.004 -17.986 -12.342 1.00 0.00 C ATOM 39 C SER A 5 1.006 -16.924 -11.892 1.00 0.00 C ATOM 40 O SER A 5 -0.063 -17.240 -11.371 1.00 0.00 O ATOM 41 CB SER A 5 1.621 -18.509 -13.727 1.00 0.00 C ATOM 42 OG SER A 5 0.256 -18.888 -13.770 1.00 0.00 O ATOM 0 H SER A 5 1.279 -19.111 -10.726 1.00 0.00 H new ATOM 0 HA SER A 5 2.993 -17.531 -12.395 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.812 -17.740 -14.475 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.247 -19.364 -13.982 1.00 0.00 H new ATOM 0 HG SER A 5 0.036 -19.217 -14.666 1.00 0.00 H new ATOM 48 N SER A 6 1.364 -15.660 -12.099 1.00 0.00 N ATOM 49 CA SER A 6 0.503 -14.549 -11.713 1.00 0.00 C ATOM 50 C SER A 6 -0.818 -14.594 -12.476 1.00 0.00 C ATOM 51 O SER A 6 -0.874 -14.270 -13.662 1.00 0.00 O ATOM 52 CB SER A 6 1.207 -13.216 -11.970 1.00 0.00 C ATOM 53 OG SER A 6 1.688 -13.142 -13.301 1.00 0.00 O ATOM 0 H SER A 6 2.244 -15.381 -12.532 1.00 0.00 H new ATOM 0 HA SER A 6 0.291 -14.640 -10.648 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.516 -12.394 -11.784 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.037 -13.099 -11.273 1.00 0.00 H new ATOM 0 HG SER A 6 1.016 -13.508 -13.913 1.00 0.00 H new ATOM 59 N GLY A 7 -1.880 -15.000 -11.787 1.00 0.00 N ATOM 60 CA GLY A 7 -3.186 -15.082 -12.415 1.00 0.00 C ATOM 61 C GLY A 7 -3.748 -13.717 -12.763 1.00 0.00 C ATOM 62 O GLY A 7 -3.171 -12.987 -13.569 1.00 0.00 O ATOM 0 H GLY A 7 -1.859 -15.274 -10.805 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.113 -15.683 -13.321 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.876 -15.596 -11.746 1.00 0.00 H new ATOM 66 N LYS A 8 -4.878 -13.373 -12.156 1.00 0.00 N ATOM 67 CA LYS A 8 -5.520 -12.088 -12.405 1.00 0.00 C ATOM 68 C LYS A 8 -5.543 -11.236 -11.140 1.00 0.00 C ATOM 69 O LYS A 8 -5.134 -11.686 -10.070 1.00 0.00 O ATOM 70 CB LYS A 8 -6.947 -12.297 -12.917 1.00 0.00 C ATOM 71 CG LYS A 8 -7.014 -13.031 -14.246 1.00 0.00 C ATOM 72 CD LYS A 8 -6.541 -12.154 -15.392 1.00 0.00 C ATOM 73 CE LYS A 8 -7.576 -11.098 -15.751 1.00 0.00 C ATOM 74 NZ LYS A 8 -7.338 -10.527 -17.105 1.00 0.00 N ATOM 0 H LYS A 8 -5.369 -13.967 -11.487 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.941 -11.563 -13.165 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.513 -12.857 -12.173 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.432 -11.327 -13.022 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.400 -13.930 -14.197 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.038 -13.354 -14.433 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.605 -11.668 -15.117 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.335 -12.774 -16.265 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.572 -11.538 -15.712 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.552 -10.299 -15.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.064 -9.812 -17.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.397 -10.085 -17.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.387 -11.285 -17.815 1.00 0.00 H new ATOM 88 N ARG A 9 -6.025 -10.004 -11.269 1.00 0.00 N ATOM 89 CA ARG A 9 -6.102 -9.090 -10.135 1.00 0.00 C ATOM 90 C ARG A 9 -7.532 -8.603 -9.926 1.00 0.00 C ATOM 91 O ARG A 9 -7.929 -7.567 -10.457 1.00 0.00 O ATOM 92 CB ARG A 9 -5.171 -7.896 -10.352 1.00 0.00 C ATOM 93 CG ARG A 9 -3.701 -8.275 -10.428 1.00 0.00 C ATOM 94 CD ARG A 9 -2.862 -7.142 -10.998 1.00 0.00 C ATOM 95 NE ARG A 9 -2.840 -7.160 -12.458 1.00 0.00 N ATOM 96 CZ ARG A 9 -2.233 -6.236 -13.196 1.00 0.00 C ATOM 97 NH1 ARG A 9 -1.601 -5.227 -12.612 1.00 0.00 N ATOM 98 NH2 ARG A 9 -2.258 -6.322 -14.519 1.00 0.00 N ATOM 0 H ARG A 9 -6.368 -9.616 -12.148 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.787 -9.630 -9.242 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.455 -7.388 -11.274 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.312 -7.184 -9.539 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.339 -8.532 -9.433 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.585 -9.163 -11.049 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.259 -6.187 -10.653 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.843 -7.219 -10.619 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.317 -7.924 -12.938 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.580 -5.159 -11.594 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.136 -4.519 -13.180 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.743 -7.097 -14.971 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.792 -5.613 -15.085 1.00 0.00 H new ATOM 112 N MET A 10 -8.301 -9.358 -9.148 1.00 0.00 N ATOM 113 CA MET A 10 -9.687 -9.003 -8.868 1.00 0.00 C ATOM 114 C MET A 10 -9.766 -7.687 -8.101 1.00 0.00 C ATOM 115 O MET A 10 -8.833 -7.316 -7.389 1.00 0.00 O ATOM 116 CB MET A 10 -10.371 -10.114 -8.070 1.00 0.00 C ATOM 117 CG MET A 10 -10.460 -11.434 -8.819 1.00 0.00 C ATOM 118 SD MET A 10 -11.545 -12.622 -8.007 1.00 0.00 S ATOM 119 CE MET A 10 -13.153 -11.988 -8.476 1.00 0.00 C ATOM 0 H MET A 10 -7.988 -10.219 -8.700 1.00 0.00 H new ATOM 0 HA MET A 10 -10.203 -8.880 -9.820 1.00 0.00 H new ATOM 0 HB2 MET A 10 -9.826 -10.270 -7.139 1.00 0.00 H new ATOM 0 HB3 MET A 10 -11.376 -9.790 -7.800 1.00 0.00 H new ATOM 0 HG2 MET A 10 -10.822 -11.250 -9.830 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.462 -11.863 -8.911 1.00 0.00 H new ATOM 0 HE1 MET A 10 -13.787 -11.914 -7.592 1.00 0.00 H new ATOM 0 HE2 MET A 10 -13.038 -11.001 -8.924 1.00 0.00 H new ATOM 0 HE3 MET A 10 -13.614 -12.663 -9.197 1.00 0.00 H new ATOM 129 N ARG A 11 -10.886 -6.986 -8.249 1.00 0.00 N ATOM 130 CA ARG A 11 -11.085 -5.711 -7.570 1.00 0.00 C ATOM 131 C ARG A 11 -12.101 -5.850 -6.440 1.00 0.00 C ATOM 132 O ARG A 11 -13.039 -6.643 -6.528 1.00 0.00 O ATOM 133 CB ARG A 11 -11.554 -4.648 -8.564 1.00 0.00 C ATOM 134 CG ARG A 11 -10.534 -4.337 -9.649 1.00 0.00 C ATOM 135 CD ARG A 11 -11.169 -3.589 -10.811 1.00 0.00 C ATOM 136 NE ARG A 11 -11.852 -4.491 -11.734 1.00 0.00 N ATOM 137 CZ ARG A 11 -12.251 -4.133 -12.950 1.00 0.00 C ATOM 138 NH1 ARG A 11 -12.036 -2.900 -13.386 1.00 0.00 N ATOM 139 NH2 ARG A 11 -12.867 -5.011 -13.732 1.00 0.00 N ATOM 0 H ARG A 11 -11.669 -7.280 -8.833 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.131 -5.403 -7.142 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.479 -4.983 -9.032 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.785 -3.732 -8.021 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.725 -3.740 -9.229 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.091 -5.265 -10.011 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.880 -2.858 -10.426 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.400 -3.034 -11.349 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.033 -5.447 -11.429 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.563 -2.223 -12.788 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.343 -2.628 -14.320 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.034 -5.961 -13.400 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.173 -4.736 -14.665 1.00 0.00 H new ATOM 153 N THR A 12 -11.909 -5.072 -5.380 1.00 0.00 N ATOM 154 CA THR A 12 -12.807 -5.110 -4.232 1.00 0.00 C ATOM 155 C THR A 12 -12.700 -3.831 -3.409 1.00 0.00 C ATOM 156 O THR A 12 -11.615 -3.274 -3.247 1.00 0.00 O ATOM 157 CB THR A 12 -12.508 -6.317 -3.324 1.00 0.00 C ATOM 158 OG1 THR A 12 -13.554 -6.475 -2.358 1.00 0.00 O ATOM 159 CG2 THR A 12 -11.176 -6.142 -2.611 1.00 0.00 C ATOM 0 H THR A 12 -11.140 -4.408 -5.292 1.00 0.00 H new ATOM 0 HA THR A 12 -13.819 -5.203 -4.625 1.00 0.00 H new ATOM 0 HB THR A 12 -12.453 -7.208 -3.949 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.357 -7.246 -1.786 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.987 -7.007 -1.976 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.378 -6.052 -3.348 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.207 -5.241 -1.998 1.00 0.00 H new ATOM 167 N SER A 13 -13.835 -3.369 -2.892 1.00 0.00 N ATOM 168 CA SER A 13 -13.869 -2.154 -2.087 1.00 0.00 C ATOM 169 C SER A 13 -13.338 -2.417 -0.682 1.00 0.00 C ATOM 170 O SER A 13 -14.016 -3.024 0.147 1.00 0.00 O ATOM 171 CB SER A 13 -15.295 -1.607 -2.011 1.00 0.00 C ATOM 172 OG SER A 13 -15.634 -0.898 -3.192 1.00 0.00 O ATOM 0 H SER A 13 -14.742 -3.818 -3.017 1.00 0.00 H new ATOM 0 HA SER A 13 -13.228 -1.413 -2.566 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.996 -2.429 -1.863 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.389 -0.948 -1.148 1.00 0.00 H new ATOM 0 HG SER A 13 -16.551 -0.560 -3.119 1.00 0.00 H new ATOM 178 N PHE A 14 -12.119 -1.955 -0.420 1.00 0.00 N ATOM 179 CA PHE A 14 -11.495 -2.140 0.885 1.00 0.00 C ATOM 180 C PHE A 14 -12.236 -1.352 1.959 1.00 0.00 C ATOM 181 O PHE A 14 -12.466 -0.150 1.817 1.00 0.00 O ATOM 182 CB PHE A 14 -10.028 -1.706 0.837 1.00 0.00 C ATOM 183 CG PHE A 14 -9.273 -2.270 -0.333 1.00 0.00 C ATOM 184 CD1 PHE A 14 -8.806 -3.574 -0.309 1.00 0.00 C ATOM 185 CD2 PHE A 14 -9.031 -1.494 -1.455 1.00 0.00 C ATOM 186 CE1 PHE A 14 -8.111 -4.095 -1.385 1.00 0.00 C ATOM 187 CE2 PHE A 14 -8.337 -2.011 -2.534 1.00 0.00 C ATOM 188 CZ PHE A 14 -7.876 -3.312 -2.497 1.00 0.00 C ATOM 0 H PHE A 14 -11.544 -1.450 -1.094 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.546 -3.199 1.138 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.981 -0.618 0.799 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.536 -2.015 1.759 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.987 -4.190 0.559 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.388 -0.475 -1.487 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.753 -5.113 -1.355 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.156 -1.398 -3.404 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.332 -3.717 -3.338 1.00 0.00 H new ATOM 198 N LYS A 15 -12.609 -2.035 3.035 1.00 0.00 N ATOM 199 CA LYS A 15 -13.324 -1.401 4.136 1.00 0.00 C ATOM 200 C LYS A 15 -12.469 -0.318 4.789 1.00 0.00 C ATOM 201 O LYS A 15 -11.322 -0.101 4.398 1.00 0.00 O ATOM 202 CB LYS A 15 -13.726 -2.445 5.180 1.00 0.00 C ATOM 203 CG LYS A 15 -14.486 -3.624 4.597 1.00 0.00 C ATOM 204 CD LYS A 15 -15.953 -3.290 4.380 1.00 0.00 C ATOM 205 CE LYS A 15 -16.770 -3.518 5.643 1.00 0.00 C ATOM 206 NZ LYS A 15 -18.086 -2.824 5.584 1.00 0.00 N ATOM 0 H LYS A 15 -12.428 -3.030 3.168 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.223 -0.936 3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.829 -2.812 5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.342 -1.967 5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.034 -3.916 3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.402 -4.479 5.267 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.048 -2.250 4.067 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.351 -3.904 3.572 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.929 -4.587 5.785 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.210 -3.162 6.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.613 -3.004 6.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.934 -1.801 5.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.631 -3.182 4.774 1.00 0.00 H new ATOM 220 N HIS A 16 -13.035 0.357 5.783 1.00 0.00 N ATOM 221 CA HIS A 16 -12.323 1.415 6.492 1.00 0.00 C ATOM 222 C HIS A 16 -11.562 0.852 7.687 1.00 0.00 C ATOM 223 O HIS A 16 -10.711 1.526 8.269 1.00 0.00 O ATOM 224 CB HIS A 16 -13.302 2.494 6.957 1.00 0.00 C ATOM 225 CG HIS A 16 -13.957 3.235 5.832 1.00 0.00 C ATOM 226 ND1 HIS A 16 -13.247 3.877 4.841 1.00 0.00 N ATOM 227 CD2 HIS A 16 -15.265 3.429 5.544 1.00 0.00 C ATOM 228 CE1 HIS A 16 -14.090 4.438 3.992 1.00 0.00 C ATOM 229 NE2 HIS A 16 -15.321 4.181 4.396 1.00 0.00 N ATOM 0 H HIS A 16 -13.985 0.191 6.116 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.604 1.860 5.804 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -14.073 2.032 7.574 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.772 3.206 7.590 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -16.107 3.061 6.111 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -13.819 5.009 3.117 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -16.174 4.491 3.931 1.00 0.00 H new ATOM 238 N HIS A 17 -11.873 -0.388 8.052 1.00 0.00 N ATOM 239 CA HIS A 17 -11.219 -1.042 9.179 1.00 0.00 C ATOM 240 C HIS A 17 -9.945 -1.750 8.730 1.00 0.00 C ATOM 241 O HIS A 17 -8.841 -1.356 9.106 1.00 0.00 O ATOM 242 CB HIS A 17 -12.169 -2.043 9.837 1.00 0.00 C ATOM 243 CG HIS A 17 -13.486 -1.450 10.232 1.00 0.00 C ATOM 244 ND1 HIS A 17 -13.600 -0.244 10.890 1.00 0.00 N ATOM 245 CD2 HIS A 17 -14.749 -1.903 10.057 1.00 0.00 C ATOM 246 CE1 HIS A 17 -14.877 0.018 11.104 1.00 0.00 C ATOM 247 NE2 HIS A 17 -15.596 -0.972 10.608 1.00 0.00 N ATOM 0 H HIS A 17 -12.575 -0.960 7.583 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.951 -0.276 9.907 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.344 -2.871 9.150 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -11.688 -2.460 10.722 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -15.038 -2.825 9.574 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.267 0.894 11.601 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.614 -1.035 10.630 1.00 0.00 H new ATOM 256 N GLN A 18 -10.106 -2.796 7.926 1.00 0.00 N ATOM 257 CA GLN A 18 -8.967 -3.559 7.429 1.00 0.00 C ATOM 258 C GLN A 18 -7.866 -2.630 6.929 1.00 0.00 C ATOM 259 O GLN A 18 -6.700 -2.774 7.301 1.00 0.00 O ATOM 260 CB GLN A 18 -9.408 -4.498 6.305 1.00 0.00 C ATOM 261 CG GLN A 18 -10.586 -3.974 5.500 1.00 0.00 C ATOM 262 CD GLN A 18 -10.585 -4.474 4.069 1.00 0.00 C ATOM 263 OE1 GLN A 18 -11.209 -5.487 3.754 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.882 -3.764 3.194 1.00 0.00 N ATOM 0 H GLN A 18 -11.013 -3.134 7.605 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.570 -4.151 8.254 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.566 -4.667 5.633 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.673 -5.465 6.734 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.515 -4.275 5.985 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.565 -2.884 5.500 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.380 -2.930 3.500 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.844 -4.052 2.216 1.00 0.00 H new ATOM 273 N LEU A 19 -8.241 -1.677 6.084 1.00 0.00 N ATOM 274 CA LEU A 19 -7.285 -0.723 5.532 1.00 0.00 C ATOM 275 C LEU A 19 -6.441 -0.097 6.637 1.00 0.00 C ATOM 276 O LEU A 19 -5.212 -0.076 6.558 1.00 0.00 O ATOM 277 CB LEU A 19 -8.017 0.369 4.752 1.00 0.00 C ATOM 278 CG LEU A 19 -8.246 0.094 3.265 1.00 0.00 C ATOM 279 CD1 LEU A 19 -9.224 1.101 2.680 1.00 0.00 C ATOM 280 CD2 LEU A 19 -6.927 0.126 2.506 1.00 0.00 C ATOM 0 H LEU A 19 -9.201 -1.544 5.766 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.622 -1.261 4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.985 0.537 5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.452 1.296 4.847 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.677 -0.902 3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.374 0.889 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.177 1.029 3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.822 2.108 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.110 -0.072 1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.467 1.108 2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.258 -0.635 2.907 1.00 0.00 H new ATOM 292 N ARG A 20 -7.109 0.411 7.668 1.00 0.00 N ATOM 293 CA ARG A 20 -6.421 1.038 8.790 1.00 0.00 C ATOM 294 C ARG A 20 -5.178 0.242 9.178 1.00 0.00 C ATOM 295 O ARG A 20 -4.149 0.814 9.543 1.00 0.00 O ATOM 296 CB ARG A 20 -7.361 1.154 9.992 1.00 0.00 C ATOM 297 CG ARG A 20 -6.759 1.911 11.165 1.00 0.00 C ATOM 298 CD ARG A 20 -6.016 0.976 12.108 1.00 0.00 C ATOM 299 NE ARG A 20 -5.557 1.665 13.311 1.00 0.00 N ATOM 300 CZ ARG A 20 -5.236 1.039 14.438 1.00 0.00 C ATOM 301 NH1 ARG A 20 -5.324 -0.281 14.516 1.00 0.00 N ATOM 302 NH2 ARG A 20 -4.825 1.735 15.491 1.00 0.00 N ATOM 0 H ARG A 20 -8.126 0.401 7.749 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.111 2.037 8.482 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.277 1.655 9.679 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.641 0.153 10.321 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.075 2.675 10.794 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.549 2.428 11.710 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.670 0.151 12.390 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.161 0.543 11.590 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.479 2.682 13.285 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.639 -0.820 13.709 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.077 -0.758 15.383 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.755 2.751 15.435 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.579 1.254 16.356 1.00 0.00 H new ATOM 316 N THR A 21 -5.280 -1.080 9.099 1.00 0.00 N ATOM 317 CA THR A 21 -4.165 -1.955 9.442 1.00 0.00 C ATOM 318 C THR A 21 -3.050 -1.857 8.408 1.00 0.00 C ATOM 319 O THR A 21 -1.877 -1.725 8.757 1.00 0.00 O ATOM 320 CB THR A 21 -4.617 -3.423 9.555 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.690 -3.534 10.497 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.461 -4.313 9.989 1.00 0.00 C ATOM 0 H THR A 21 -6.124 -1.569 8.800 1.00 0.00 H new ATOM 0 HA THR A 21 -3.789 -1.622 10.410 1.00 0.00 H new ATOM 0 HB THR A 21 -4.960 -3.751 8.574 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.973 -4.470 10.562 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.804 -5.345 10.062 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.657 -4.249 9.256 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.093 -3.983 10.961 1.00 0.00 H new ATOM 330 N MET A 22 -3.423 -1.921 7.134 1.00 0.00 N ATOM 331 CA MET A 22 -2.452 -1.838 6.048 1.00 0.00 C ATOM 332 C MET A 22 -1.832 -0.446 5.980 1.00 0.00 C ATOM 333 O MET A 22 -0.628 -0.281 6.172 1.00 0.00 O ATOM 334 CB MET A 22 -3.118 -2.179 4.714 1.00 0.00 C ATOM 335 CG MET A 22 -3.293 -3.672 4.486 1.00 0.00 C ATOM 336 SD MET A 22 -3.265 -4.116 2.739 1.00 0.00 S ATOM 337 CE MET A 22 -4.890 -3.564 2.224 1.00 0.00 C ATOM 0 H MET A 22 -4.390 -2.030 6.828 1.00 0.00 H new ATOM 0 HA MET A 22 -1.660 -2.560 6.245 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.094 -1.696 4.671 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.521 -1.763 3.902 1.00 0.00 H new ATOM 0 HG2 MET A 22 -2.501 -4.210 5.006 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.238 -3.994 4.924 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.059 -3.850 1.186 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.648 -4.026 2.856 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.952 -2.480 2.317 1.00 0.00 H new ATOM 347 N LYS A 23 -2.663 0.554 5.704 1.00 0.00 N ATOM 348 CA LYS A 23 -2.198 1.932 5.611 1.00 0.00 C ATOM 349 C LYS A 23 -1.167 2.233 6.694 1.00 0.00 C ATOM 350 O LYS A 23 -0.030 2.600 6.397 1.00 0.00 O ATOM 351 CB LYS A 23 -3.377 2.900 5.731 1.00 0.00 C ATOM 352 CG LYS A 23 -4.323 2.858 4.543 1.00 0.00 C ATOM 353 CD LYS A 23 -5.631 3.568 4.847 1.00 0.00 C ATOM 354 CE LYS A 23 -6.473 3.747 3.593 1.00 0.00 C ATOM 355 NZ LYS A 23 -7.513 4.798 3.767 1.00 0.00 N ATOM 0 H LYS A 23 -3.663 0.435 5.541 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.726 2.064 4.638 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.936 2.668 6.638 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.993 3.914 5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.847 3.324 3.681 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.525 1.821 4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.193 2.996 5.585 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.423 4.542 5.289 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.826 4.011 2.756 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.952 2.801 3.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.065 4.889 2.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.146 4.534 4.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.056 5.706 3.984 1.00 0.00 H new ATOM 369 N SER A 24 -1.572 2.075 7.950 1.00 0.00 N ATOM 370 CA SER A 24 -0.683 2.331 9.078 1.00 0.00 C ATOM 371 C SER A 24 0.684 1.694 8.848 1.00 0.00 C ATOM 372 O SER A 24 1.710 2.232 9.264 1.00 0.00 O ATOM 373 CB SER A 24 -1.299 1.795 10.371 1.00 0.00 C ATOM 374 OG SER A 24 -0.718 2.413 11.507 1.00 0.00 O ATOM 0 H SER A 24 -2.510 1.771 8.212 1.00 0.00 H new ATOM 0 HA SER A 24 -0.550 3.409 9.168 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.374 1.973 10.366 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.155 0.716 10.426 1.00 0.00 H new ATOM 0 HG SER A 24 -1.130 2.055 12.321 1.00 0.00 H new ATOM 380 N TYR A 25 0.689 0.543 8.184 1.00 0.00 N ATOM 381 CA TYR A 25 1.929 -0.170 7.900 1.00 0.00 C ATOM 382 C TYR A 25 2.728 0.537 6.810 1.00 0.00 C ATOM 383 O TYR A 25 3.952 0.641 6.890 1.00 0.00 O ATOM 384 CB TYR A 25 1.629 -1.609 7.477 1.00 0.00 C ATOM 385 CG TYR A 25 2.860 -2.479 7.370 1.00 0.00 C ATOM 386 CD1 TYR A 25 3.648 -2.465 6.226 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.237 -3.314 8.415 1.00 0.00 C ATOM 388 CE1 TYR A 25 4.774 -3.258 6.124 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.363 -4.110 8.322 1.00 0.00 C ATOM 390 CZ TYR A 25 5.127 -4.079 7.175 1.00 0.00 C ATOM 391 OH TYR A 25 6.249 -4.871 7.078 1.00 0.00 O ATOM 0 H TYR A 25 -0.151 0.084 7.833 1.00 0.00 H new ATOM 0 HA TYR A 25 2.527 -0.183 8.811 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.942 -2.054 8.196 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.119 -1.597 6.514 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.375 -1.823 5.402 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.640 -3.341 9.315 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.375 -3.236 5.227 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.643 -4.753 9.144 1.00 0.00 H new ATOM 0 HH TYR A 25 6.495 -5.200 7.968 1.00 0.00 H new ATOM 401 N PHE A 26 2.025 1.022 5.792 1.00 0.00 N ATOM 402 CA PHE A 26 2.667 1.720 4.684 1.00 0.00 C ATOM 403 C PHE A 26 3.711 2.708 5.195 1.00 0.00 C ATOM 404 O PHE A 26 4.746 2.917 4.561 1.00 0.00 O ATOM 405 CB PHE A 26 1.622 2.455 3.842 1.00 0.00 C ATOM 406 CG PHE A 26 2.199 3.148 2.641 1.00 0.00 C ATOM 407 CD1 PHE A 26 2.332 2.477 1.435 1.00 0.00 C ATOM 408 CD2 PHE A 26 2.609 4.469 2.717 1.00 0.00 C ATOM 409 CE1 PHE A 26 2.862 3.111 0.327 1.00 0.00 C ATOM 410 CE2 PHE A 26 3.139 5.108 1.612 1.00 0.00 C ATOM 411 CZ PHE A 26 3.267 4.428 0.417 1.00 0.00 C ATOM 0 H PHE A 26 1.011 0.945 5.711 1.00 0.00 H new ATOM 0 HA PHE A 26 3.168 0.978 4.062 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.866 1.742 3.512 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.115 3.190 4.467 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.018 1.446 1.360 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.513 5.005 3.650 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.959 2.578 -0.607 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.453 6.139 1.683 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.683 4.926 -0.446 1.00 0.00 H new ATOM 421 N ALA A 27 3.432 3.312 6.345 1.00 0.00 N ATOM 422 CA ALA A 27 4.346 4.277 6.942 1.00 0.00 C ATOM 423 C ALA A 27 5.552 3.579 7.563 1.00 0.00 C ATOM 424 O ALA A 27 6.663 4.109 7.551 1.00 0.00 O ATOM 425 CB ALA A 27 3.624 5.113 7.988 1.00 0.00 C ATOM 0 H ALA A 27 2.580 3.150 6.882 1.00 0.00 H new ATOM 0 HA ALA A 27 4.705 4.935 6.151 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.320 5.829 8.425 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.799 5.649 7.519 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.236 4.461 8.770 1.00 0.00 H new ATOM 431 N ILE A 28 5.326 2.387 8.107 1.00 0.00 N ATOM 432 CA ILE A 28 6.394 1.618 8.732 1.00 0.00 C ATOM 433 C ILE A 28 7.299 0.982 7.682 1.00 0.00 C ATOM 434 O ILE A 28 8.521 1.112 7.741 1.00 0.00 O ATOM 435 CB ILE A 28 5.830 0.513 9.646 1.00 0.00 C ATOM 436 CG1 ILE A 28 4.895 1.116 10.694 1.00 0.00 C ATOM 437 CG2 ILE A 28 6.964 -0.249 10.315 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.799 0.173 11.141 1.00 0.00 C ATOM 0 H ILE A 28 4.412 1.934 8.127 1.00 0.00 H new ATOM 0 HA ILE A 28 6.976 2.315 9.335 1.00 0.00 H new ATOM 0 HB ILE A 28 5.258 -0.186 9.036 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.481 1.416 11.562 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.442 2.020 10.287 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.551 -1.026 10.958 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.595 -0.706 9.553 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.560 0.439 10.915 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.174 0.668 11.885 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.188 -0.108 10.283 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.244 -0.721 11.578 1.00 0.00 H new ATOM 450 N ASN A 29 6.690 0.294 6.721 1.00 0.00 N ATOM 451 CA ASN A 29 7.441 -0.361 5.657 1.00 0.00 C ATOM 452 C ASN A 29 6.620 -0.429 4.373 1.00 0.00 C ATOM 453 O ASN A 29 5.441 -0.784 4.395 1.00 0.00 O ATOM 454 CB ASN A 29 7.851 -1.772 6.088 1.00 0.00 C ATOM 455 CG ASN A 29 8.868 -2.390 5.148 1.00 0.00 C ATOM 456 OD1 ASN A 29 9.368 -1.732 4.235 1.00 0.00 O ATOM 457 ND2 ASN A 29 9.179 -3.663 5.367 1.00 0.00 N ATOM 0 H ASN A 29 5.679 0.176 6.658 1.00 0.00 H new ATOM 0 HA ASN A 29 8.337 0.228 5.463 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.266 -1.735 7.095 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.966 -2.407 6.131 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.857 -4.133 4.767 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.740 -4.170 6.135 1.00 0.00 H new ATOM 464 N HIS A 30 7.251 -0.085 3.254 1.00 0.00 N ATOM 465 CA HIS A 30 6.579 -0.107 1.960 1.00 0.00 C ATOM 466 C HIS A 30 6.621 -1.506 1.351 1.00 0.00 C ATOM 467 O HIS A 30 5.606 -2.017 0.880 1.00 0.00 O ATOM 468 CB HIS A 30 7.230 0.897 1.008 1.00 0.00 C ATOM 469 CG HIS A 30 7.305 2.286 1.561 1.00 0.00 C ATOM 470 ND1 HIS A 30 8.434 3.072 1.471 1.00 0.00 N ATOM 471 CD2 HIS A 30 6.381 3.031 2.213 1.00 0.00 C ATOM 472 CE1 HIS A 30 8.203 4.239 2.046 1.00 0.00 C ATOM 473 NE2 HIS A 30 6.964 4.239 2.504 1.00 0.00 N ATOM 0 H HIS A 30 8.226 0.212 3.218 1.00 0.00 H new ATOM 0 HA HIS A 30 5.537 0.172 2.113 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.237 0.556 0.767 1.00 0.00 H new ATOM 0 HB3 HIS A 30 6.668 0.917 0.074 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.373 2.731 2.458 1.00 0.00 H new ATOM 0 HE1 HIS A 30 8.907 5.054 2.128 1.00 0.00 H new ATOM 0 HE2 HIS A 30 6.514 5.012 2.994 1.00 0.00 H new ATOM 482 N ASN A 31 7.801 -2.117 1.363 1.00 0.00 N ATOM 483 CA ASN A 31 7.975 -3.455 0.810 1.00 0.00 C ATOM 484 C ASN A 31 8.161 -4.483 1.922 1.00 0.00 C ATOM 485 O ASN A 31 9.277 -4.892 2.242 1.00 0.00 O ATOM 486 CB ASN A 31 9.176 -3.486 -0.136 1.00 0.00 C ATOM 487 CG ASN A 31 8.941 -2.678 -1.397 1.00 0.00 C ATOM 488 OD1 ASN A 31 8.349 -3.166 -2.359 1.00 0.00 O ATOM 489 ND2 ASN A 31 9.406 -1.434 -1.397 1.00 0.00 N ATOM 0 H ASN A 31 8.651 -1.707 1.750 1.00 0.00 H new ATOM 0 HA ASN A 31 7.075 -3.710 0.251 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.053 -3.098 0.382 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.396 -4.519 -0.406 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.278 -0.842 -2.217 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.891 -1.071 -0.576 1.00 0.00 H new ATOM 496 N PRO A 32 7.042 -4.911 2.525 1.00 0.00 N ATOM 497 CA PRO A 32 7.056 -5.898 3.610 1.00 0.00 C ATOM 498 C PRO A 32 7.444 -7.290 3.123 1.00 0.00 C ATOM 499 O PRO A 32 7.314 -7.602 1.938 1.00 0.00 O ATOM 500 CB PRO A 32 5.611 -5.892 4.113 1.00 0.00 C ATOM 501 CG PRO A 32 4.805 -5.433 2.948 1.00 0.00 C ATOM 502 CD PRO A 32 5.678 -4.467 2.194 1.00 0.00 C ATOM 0 HA PRO A 32 7.790 -5.650 4.377 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.302 -6.884 4.441 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.491 -5.223 4.965 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.518 -6.274 2.317 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.884 -4.952 3.276 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.491 -4.509 1.121 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.503 -3.438 2.508 1.00 0.00 H new ATOM 510 N ASP A 33 7.919 -8.122 4.042 1.00 0.00 N ATOM 511 CA ASP A 33 8.324 -9.482 3.706 1.00 0.00 C ATOM 512 C ASP A 33 7.140 -10.439 3.794 1.00 0.00 C ATOM 513 O ASP A 33 6.156 -10.163 4.478 1.00 0.00 O ATOM 514 CB ASP A 33 9.444 -9.949 4.637 1.00 0.00 C ATOM 515 CG ASP A 33 9.272 -9.433 6.052 1.00 0.00 C ATOM 516 OD1 ASP A 33 8.373 -9.931 6.761 1.00 0.00 O ATOM 517 OD2 ASP A 33 10.036 -8.529 6.452 1.00 0.00 O ATOM 0 H ASP A 33 8.033 -7.879 5.026 1.00 0.00 H new ATOM 0 HA ASP A 33 8.692 -9.482 2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.470 -11.039 4.651 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.403 -9.612 4.244 1.00 0.00 H new ATOM 522 N ALA A 34 7.243 -11.566 3.096 1.00 0.00 N ATOM 523 CA ALA A 34 6.181 -12.565 3.097 1.00 0.00 C ATOM 524 C ALA A 34 5.613 -12.761 4.498 1.00 0.00 C ATOM 525 O ALA A 34 4.400 -12.878 4.677 1.00 0.00 O ATOM 526 CB ALA A 34 6.698 -13.886 2.546 1.00 0.00 C ATOM 0 H ALA A 34 8.051 -11.810 2.523 1.00 0.00 H new ATOM 0 HA ALA A 34 5.377 -12.205 2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.894 -14.622 2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.049 -13.742 1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.521 -14.242 3.166 1.00 0.00 H new ATOM 532 N LYS A 35 6.496 -12.798 5.490 1.00 0.00 N ATOM 533 CA LYS A 35 6.083 -12.979 6.876 1.00 0.00 C ATOM 534 C LYS A 35 5.050 -11.931 7.278 1.00 0.00 C ATOM 535 O LYS A 35 3.991 -12.262 7.811 1.00 0.00 O ATOM 536 CB LYS A 35 7.296 -12.897 7.807 1.00 0.00 C ATOM 537 CG LYS A 35 7.073 -13.560 9.156 1.00 0.00 C ATOM 538 CD LYS A 35 6.227 -12.691 10.071 1.00 0.00 C ATOM 539 CE LYS A 35 6.485 -13.007 11.535 1.00 0.00 C ATOM 540 NZ LYS A 35 6.089 -11.880 12.425 1.00 0.00 N ATOM 0 H LYS A 35 7.503 -12.705 5.359 1.00 0.00 H new ATOM 0 HA LYS A 35 5.629 -13.966 6.967 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.151 -13.365 7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.553 -11.849 7.964 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.583 -14.523 9.013 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.035 -13.759 9.628 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.445 -11.640 9.881 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.172 -12.843 9.845 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.932 -13.903 11.816 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.543 -13.228 11.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.281 -12.135 13.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.635 -11.031 12.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.074 -11.686 12.308 1.00 0.00 H new ATOM 554 N ASP A 36 5.364 -10.667 7.019 1.00 0.00 N ATOM 555 CA ASP A 36 4.462 -9.571 7.351 1.00 0.00 C ATOM 556 C ASP A 36 3.192 -9.638 6.508 1.00 0.00 C ATOM 557 O ASP A 36 2.097 -9.350 6.993 1.00 0.00 O ATOM 558 CB ASP A 36 5.160 -8.226 7.139 1.00 0.00 C ATOM 559 CG ASP A 36 4.442 -7.085 7.833 1.00 0.00 C ATOM 560 OD1 ASP A 36 4.570 -6.967 9.069 1.00 0.00 O ATOM 561 OD2 ASP A 36 3.749 -6.311 7.139 1.00 0.00 O ATOM 0 H ASP A 36 6.237 -10.376 6.580 1.00 0.00 H new ATOM 0 HA ASP A 36 4.185 -9.666 8.401 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.183 -8.288 7.511 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.222 -8.016 6.071 1.00 0.00 H new ATOM 566 N LEU A 37 3.346 -10.019 5.245 1.00 0.00 N ATOM 567 CA LEU A 37 2.211 -10.123 4.334 1.00 0.00 C ATOM 568 C LEU A 37 1.151 -11.067 4.891 1.00 0.00 C ATOM 569 O LEU A 37 0.000 -10.678 5.090 1.00 0.00 O ATOM 570 CB LEU A 37 2.678 -10.612 2.962 1.00 0.00 C ATOM 571 CG LEU A 37 3.236 -9.544 2.022 1.00 0.00 C ATOM 572 CD1 LEU A 37 4.033 -10.186 0.897 1.00 0.00 C ATOM 573 CD2 LEU A 37 2.111 -8.687 1.460 1.00 0.00 C ATOM 0 H LEU A 37 4.245 -10.261 4.828 1.00 0.00 H new ATOM 0 HA LEU A 37 1.768 -9.133 4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.445 -11.372 3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.838 -11.100 2.467 1.00 0.00 H new ATOM 0 HG LEU A 37 3.906 -8.900 2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.422 -9.410 0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.862 -10.755 1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.386 -10.854 0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.527 -7.932 0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.416 -9.317 0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.583 -8.197 2.278 1.00 0.00 H new ATOM 585 N LYS A 38 1.546 -12.310 5.143 1.00 0.00 N ATOM 586 CA LYS A 38 0.632 -13.311 5.679 1.00 0.00 C ATOM 587 C LYS A 38 -0.103 -12.774 6.903 1.00 0.00 C ATOM 588 O LYS A 38 -1.288 -13.045 7.094 1.00 0.00 O ATOM 589 CB LYS A 38 1.397 -14.584 6.049 1.00 0.00 C ATOM 590 CG LYS A 38 2.560 -14.343 6.995 1.00 0.00 C ATOM 591 CD LYS A 38 3.034 -15.636 7.637 1.00 0.00 C ATOM 592 CE LYS A 38 3.936 -16.426 6.701 1.00 0.00 C ATOM 593 NZ LYS A 38 4.095 -17.838 7.145 1.00 0.00 N ATOM 0 H LYS A 38 2.495 -12.649 4.984 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.102 -13.547 4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.707 -15.292 6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.772 -15.050 5.138 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.384 -13.883 6.450 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.259 -13.639 7.771 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.572 -15.410 8.558 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.172 -16.244 7.912 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.520 -16.407 5.694 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.915 -15.949 6.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.716 -18.343 6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.515 -17.858 8.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.164 -18.301 7.168 1.00 0.00 H new ATOM 607 N GLN A 39 0.607 -12.011 7.728 1.00 0.00 N ATOM 608 CA GLN A 39 0.020 -11.437 8.933 1.00 0.00 C ATOM 609 C GLN A 39 -1.105 -10.470 8.582 1.00 0.00 C ATOM 610 O GLN A 39 -2.152 -10.457 9.231 1.00 0.00 O ATOM 611 CB GLN A 39 1.091 -10.716 9.753 1.00 0.00 C ATOM 612 CG GLN A 39 1.988 -11.656 10.543 1.00 0.00 C ATOM 613 CD GLN A 39 1.276 -12.286 11.723 1.00 0.00 C ATOM 614 OE1 GLN A 39 0.610 -11.602 12.499 1.00 0.00 O ATOM 615 NE2 GLN A 39 1.415 -13.600 11.865 1.00 0.00 N ATOM 0 H GLN A 39 1.589 -11.776 7.584 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.397 -12.250 9.527 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.707 -10.117 9.083 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.605 -10.026 10.443 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.355 -12.442 9.883 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.859 -11.107 10.900 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.977 -14.128 11.198 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.960 -14.080 12.641 1.00 0.00 H new ATOM 624 N LEU A 40 -0.883 -9.660 7.552 1.00 0.00 N ATOM 625 CA LEU A 40 -1.879 -8.688 7.115 1.00 0.00 C ATOM 626 C LEU A 40 -3.052 -9.381 6.430 1.00 0.00 C ATOM 627 O LEU A 40 -4.203 -8.972 6.583 1.00 0.00 O ATOM 628 CB LEU A 40 -1.246 -7.673 6.162 1.00 0.00 C ATOM 629 CG LEU A 40 -0.271 -6.677 6.793 1.00 0.00 C ATOM 630 CD1 LEU A 40 0.528 -5.959 5.717 1.00 0.00 C ATOM 631 CD2 LEU A 40 -1.018 -5.678 7.663 1.00 0.00 C ATOM 0 H LEU A 40 -0.022 -9.657 7.004 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.252 -8.167 7.996 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.720 -8.219 5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.045 -7.112 5.678 1.00 0.00 H new ATOM 0 HG LEU A 40 0.425 -7.229 7.425 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.216 -5.255 6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.093 -6.688 5.136 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.152 -5.419 5.058 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.309 -4.977 8.104 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.737 -5.131 7.053 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.544 -6.209 8.456 1.00 0.00 H new ATOM 643 N ALA A 41 -2.753 -10.435 5.677 1.00 0.00 N ATOM 644 CA ALA A 41 -3.783 -11.188 4.972 1.00 0.00 C ATOM 645 C ALA A 41 -4.908 -11.596 5.918 1.00 0.00 C ATOM 646 O ALA A 41 -6.082 -11.563 5.551 1.00 0.00 O ATOM 647 CB ALA A 41 -3.179 -12.415 4.308 1.00 0.00 C ATOM 0 H ALA A 41 -1.805 -10.787 5.540 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.206 -10.543 4.202 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.960 -12.967 3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.415 -12.104 3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.728 -13.054 5.067 1.00 0.00 H new ATOM 653 N GLN A 42 -4.541 -11.982 7.136 1.00 0.00 N ATOM 654 CA GLN A 42 -5.520 -12.397 8.133 1.00 0.00 C ATOM 655 C GLN A 42 -6.060 -11.195 8.900 1.00 0.00 C ATOM 656 O GLN A 42 -7.269 -11.062 9.095 1.00 0.00 O ATOM 657 CB GLN A 42 -4.895 -13.399 9.106 1.00 0.00 C ATOM 658 CG GLN A 42 -4.578 -14.745 8.473 1.00 0.00 C ATOM 659 CD GLN A 42 -4.522 -15.868 9.490 1.00 0.00 C ATOM 660 OE1 GLN A 42 -3.594 -15.946 10.296 1.00 0.00 O ATOM 661 NE2 GLN A 42 -5.516 -16.747 9.459 1.00 0.00 N ATOM 0 H GLN A 42 -3.573 -12.016 7.456 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.350 -12.875 7.613 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.978 -12.973 9.514 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.575 -13.552 9.944 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.334 -14.977 7.723 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.622 -14.682 7.954 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.266 -16.645 8.775 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.530 -17.524 10.120 1.00 0.00 H new ATOM 670 N LYS A 43 -5.158 -10.322 9.333 1.00 0.00 N ATOM 671 CA LYS A 43 -5.543 -9.129 10.079 1.00 0.00 C ATOM 672 C LYS A 43 -6.534 -8.287 9.283 1.00 0.00 C ATOM 673 O LYS A 43 -7.272 -7.478 9.846 1.00 0.00 O ATOM 674 CB LYS A 43 -4.306 -8.295 10.421 1.00 0.00 C ATOM 675 CG LYS A 43 -3.287 -9.038 11.269 1.00 0.00 C ATOM 676 CD LYS A 43 -1.874 -8.552 10.995 1.00 0.00 C ATOM 677 CE LYS A 43 -1.493 -7.399 11.911 1.00 0.00 C ATOM 678 NZ LYS A 43 -1.947 -6.088 11.372 1.00 0.00 N ATOM 0 H LYS A 43 -4.154 -10.418 9.180 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.025 -9.448 11.003 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.829 -7.971 9.496 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.620 -7.395 10.950 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.522 -8.901 12.325 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.351 -10.107 11.064 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.172 -9.375 11.133 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.793 -8.234 9.956 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.932 -7.558 12.896 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.411 -7.382 12.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.258 -5.351 11.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.026 -6.147 10.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.874 -5.849 11.777 1.00 0.00 H new ATOM 692 N THR A 44 -6.545 -8.480 7.967 1.00 0.00 N ATOM 693 CA THR A 44 -7.445 -7.738 7.093 1.00 0.00 C ATOM 694 C THR A 44 -8.370 -8.679 6.329 1.00 0.00 C ATOM 695 O THR A 44 -9.301 -8.239 5.657 1.00 0.00 O ATOM 696 CB THR A 44 -6.664 -6.874 6.086 1.00 0.00 C ATOM 697 OG1 THR A 44 -5.965 -7.713 5.159 1.00 0.00 O ATOM 698 CG2 THR A 44 -5.675 -5.967 6.802 1.00 0.00 C ATOM 0 H THR A 44 -5.940 -9.144 7.484 1.00 0.00 H new ATOM 0 HA THR A 44 -8.041 -7.087 7.733 1.00 0.00 H new ATOM 0 HB THR A 44 -7.377 -6.251 5.546 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.426 -8.367 5.652 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.136 -5.367 6.069 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.213 -5.309 7.485 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.967 -6.574 7.366 1.00 0.00 H new ATOM 706 N GLY A 45 -8.107 -9.978 6.439 1.00 0.00 N ATOM 707 CA GLY A 45 -8.926 -10.961 5.753 1.00 0.00 C ATOM 708 C GLY A 45 -8.507 -11.159 4.310 1.00 0.00 C ATOM 709 O GLY A 45 -8.723 -12.226 3.734 1.00 0.00 O ATOM 0 H GLY A 45 -7.342 -10.367 6.990 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.864 -11.913 6.280 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.969 -10.647 5.785 1.00 0.00 H new ATOM 713 N LEU A 46 -7.908 -10.128 3.723 1.00 0.00 N ATOM 714 CA LEU A 46 -7.459 -10.194 2.337 1.00 0.00 C ATOM 715 C LEU A 46 -6.405 -11.281 2.156 1.00 0.00 C ATOM 716 O LEU A 46 -5.918 -11.857 3.128 1.00 0.00 O ATOM 717 CB LEU A 46 -6.893 -8.841 1.900 1.00 0.00 C ATOM 718 CG LEU A 46 -7.785 -7.625 2.155 1.00 0.00 C ATOM 719 CD1 LEU A 46 -7.026 -6.338 1.873 1.00 0.00 C ATOM 720 CD2 LEU A 46 -9.046 -7.701 1.306 1.00 0.00 C ATOM 0 H LEU A 46 -7.722 -9.238 4.185 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.318 -10.441 1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.944 -8.684 2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.675 -8.889 0.833 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.078 -7.627 3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.676 -5.484 2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.154 -6.280 2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.703 -6.327 0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.669 -6.828 1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.773 -7.725 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.600 -8.605 1.558 1.00 0.00 H new ATOM 732 N THR A 47 -6.055 -11.557 0.903 1.00 0.00 N ATOM 733 CA THR A 47 -5.059 -12.574 0.594 1.00 0.00 C ATOM 734 C THR A 47 -3.716 -11.941 0.250 1.00 0.00 C ATOM 735 O THR A 47 -3.612 -10.724 0.097 1.00 0.00 O ATOM 736 CB THR A 47 -5.509 -13.463 -0.580 1.00 0.00 C ATOM 737 OG1 THR A 47 -4.873 -14.743 -0.498 1.00 0.00 O ATOM 738 CG2 THR A 47 -5.174 -12.811 -1.914 1.00 0.00 C ATOM 0 H THR A 47 -6.448 -11.089 0.086 1.00 0.00 H new ATOM 0 HA THR A 47 -4.950 -13.191 1.486 1.00 0.00 H new ATOM 0 HB THR A 47 -6.590 -13.589 -0.516 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.166 -15.303 -1.247 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.502 -13.458 -2.728 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.683 -11.850 -1.987 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.097 -12.657 -1.984 1.00 0.00 H new ATOM 746 N LYS A 48 -2.687 -12.775 0.131 1.00 0.00 N ATOM 747 CA LYS A 48 -1.348 -12.297 -0.195 1.00 0.00 C ATOM 748 C LYS A 48 -1.377 -11.402 -1.431 1.00 0.00 C ATOM 749 O LYS A 48 -0.969 -10.242 -1.377 1.00 0.00 O ATOM 750 CB LYS A 48 -0.407 -13.480 -0.432 1.00 0.00 C ATOM 751 CG LYS A 48 1.064 -13.120 -0.311 1.00 0.00 C ATOM 752 CD LYS A 48 1.553 -13.243 1.122 1.00 0.00 C ATOM 753 CE LYS A 48 1.752 -14.697 1.520 1.00 0.00 C ATOM 754 NZ LYS A 48 0.501 -15.303 2.054 1.00 0.00 N ATOM 0 H LYS A 48 -2.755 -13.785 0.256 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.982 -11.712 0.648 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.640 -14.268 0.284 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.592 -13.888 -1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.653 -13.773 -0.955 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.220 -12.100 -0.663 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.493 -12.702 1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.834 -12.776 1.794 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.091 -15.267 0.655 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.537 -14.763 2.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.721 -15.860 2.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.173 -14.550 2.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.081 -15.924 1.333 1.00 0.00 H new ATOM 768 N ARG A 49 -1.861 -11.948 -2.541 1.00 0.00 N ATOM 769 CA ARG A 49 -1.944 -11.198 -3.789 1.00 0.00 C ATOM 770 C ARG A 49 -2.508 -9.801 -3.548 1.00 0.00 C ATOM 771 O ARG A 49 -1.806 -8.802 -3.703 1.00 0.00 O ATOM 772 CB ARG A 49 -2.814 -11.944 -4.800 1.00 0.00 C ATOM 773 CG ARG A 49 -2.977 -11.210 -6.122 1.00 0.00 C ATOM 774 CD ARG A 49 -1.829 -11.512 -7.072 1.00 0.00 C ATOM 775 NE ARG A 49 -1.825 -12.908 -7.501 1.00 0.00 N ATOM 776 CZ ARG A 49 -0.783 -13.498 -8.076 1.00 0.00 C ATOM 777 NH1 ARG A 49 0.334 -12.817 -8.288 1.00 0.00 N ATOM 778 NH2 ARG A 49 -0.858 -14.772 -8.439 1.00 0.00 N ATOM 0 H ARG A 49 -2.202 -12.907 -2.602 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.936 -11.099 -4.191 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.377 -12.924 -4.990 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.799 -12.113 -4.364 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.920 -11.499 -6.586 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.027 -10.137 -5.940 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.902 -10.865 -7.946 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.883 -11.281 -6.582 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.669 -13.461 -7.351 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.395 -11.838 -8.009 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.133 -13.272 -8.730 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.716 -15.299 -8.277 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.058 -15.224 -8.881 1.00 0.00 H new ATOM 792 N VAL A 50 -3.780 -9.740 -3.168 1.00 0.00 N ATOM 793 CA VAL A 50 -4.438 -8.466 -2.904 1.00 0.00 C ATOM 794 C VAL A 50 -3.508 -7.508 -2.170 1.00 0.00 C ATOM 795 O VAL A 50 -3.265 -6.389 -2.625 1.00 0.00 O ATOM 796 CB VAL A 50 -5.720 -8.659 -2.072 1.00 0.00 C ATOM 797 CG1 VAL A 50 -6.354 -7.314 -1.749 1.00 0.00 C ATOM 798 CG2 VAL A 50 -6.702 -9.557 -2.807 1.00 0.00 C ATOM 0 H VAL A 50 -4.375 -10.558 -3.036 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.702 -8.040 -3.872 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.453 -9.143 -1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.258 -7.470 -1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.650 -6.708 -1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.608 -6.800 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.602 -9.682 -2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.965 -9.103 -3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.244 -10.531 -2.982 1.00 0.00 H new ATOM 808 N LEU A 51 -2.989 -7.953 -1.031 1.00 0.00 N ATOM 809 CA LEU A 51 -2.083 -7.135 -0.231 1.00 0.00 C ATOM 810 C LEU A 51 -0.918 -6.628 -1.075 1.00 0.00 C ATOM 811 O LEU A 51 -0.638 -5.430 -1.109 1.00 0.00 O ATOM 812 CB LEU A 51 -1.554 -7.938 0.959 1.00 0.00 C ATOM 813 CG LEU A 51 -2.609 -8.484 1.922 1.00 0.00 C ATOM 814 CD1 LEU A 51 -2.028 -9.605 2.769 1.00 0.00 C ATOM 815 CD2 LEU A 51 -3.151 -7.370 2.806 1.00 0.00 C ATOM 0 H LEU A 51 -3.180 -8.876 -0.640 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.641 -6.275 0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.972 -8.776 0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.869 -7.305 1.523 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.434 -8.889 1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.793 -9.981 3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.689 -10.413 2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.185 -9.225 3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.901 -7.776 3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.336 -6.935 3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.605 -6.600 2.183 1.00 0.00 H new ATOM 827 N GLN A 52 -0.244 -7.549 -1.757 1.00 0.00 N ATOM 828 CA GLN A 52 0.890 -7.195 -2.603 1.00 0.00 C ATOM 829 C GLN A 52 0.511 -6.096 -3.590 1.00 0.00 C ATOM 830 O GLN A 52 1.153 -5.047 -3.644 1.00 0.00 O ATOM 831 CB GLN A 52 1.392 -8.426 -3.361 1.00 0.00 C ATOM 832 CG GLN A 52 2.321 -9.307 -2.542 1.00 0.00 C ATOM 833 CD GLN A 52 3.778 -8.913 -2.688 1.00 0.00 C ATOM 834 OE1 GLN A 52 4.502 -9.463 -3.518 1.00 0.00 O ATOM 835 NE2 GLN A 52 4.217 -7.955 -1.879 1.00 0.00 N ATOM 0 H GLN A 52 -0.463 -8.545 -1.740 1.00 0.00 H new ATOM 0 HA GLN A 52 1.688 -6.822 -1.960 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.536 -9.017 -3.685 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.913 -8.101 -4.261 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.037 -9.250 -1.491 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.197 -10.345 -2.850 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.583 -7.526 -1.205 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.188 -7.649 -1.932 1.00 0.00 H new ATOM 844 N VAL A 53 -0.537 -6.343 -4.370 1.00 0.00 N ATOM 845 CA VAL A 53 -1.003 -5.374 -5.355 1.00 0.00 C ATOM 846 C VAL A 53 -1.285 -4.024 -4.706 1.00 0.00 C ATOM 847 O VAL A 53 -0.704 -3.008 -5.087 1.00 0.00 O ATOM 848 CB VAL A 53 -2.277 -5.866 -6.066 1.00 0.00 C ATOM 849 CG1 VAL A 53 -2.812 -4.793 -7.003 1.00 0.00 C ATOM 850 CG2 VAL A 53 -2.000 -7.156 -6.823 1.00 0.00 C ATOM 0 H VAL A 53 -1.079 -7.206 -4.339 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.206 -5.261 -6.090 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.038 -6.070 -5.313 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.713 -5.158 -7.497 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.050 -3.896 -6.431 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.057 -4.556 -7.753 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.911 -7.489 -7.319 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.224 -6.981 -7.568 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.666 -7.923 -6.125 1.00 0.00 H new ATOM 860 N TRP A 54 -2.180 -4.020 -3.725 1.00 0.00 N ATOM 861 CA TRP A 54 -2.539 -2.793 -3.023 1.00 0.00 C ATOM 862 C TRP A 54 -1.298 -1.970 -2.697 1.00 0.00 C ATOM 863 O TRP A 54 -1.143 -0.848 -3.180 1.00 0.00 O ATOM 864 CB TRP A 54 -3.300 -3.122 -1.737 1.00 0.00 C ATOM 865 CG TRP A 54 -3.770 -1.907 -0.997 1.00 0.00 C ATOM 866 CD1 TRP A 54 -4.961 -1.259 -1.157 1.00 0.00 C ATOM 867 CD2 TRP A 54 -3.055 -1.192 0.017 1.00 0.00 C ATOM 868 NE1 TRP A 54 -5.031 -0.184 -0.302 1.00 0.00 N ATOM 869 CE2 TRP A 54 -3.874 -0.123 0.429 1.00 0.00 C ATOM 870 CE3 TRP A 54 -1.804 -1.353 0.620 1.00 0.00 C ATOM 871 CZ2 TRP A 54 -3.481 0.780 1.413 1.00 0.00 C ATOM 872 CZ3 TRP A 54 -1.415 -0.456 1.596 1.00 0.00 C ATOM 873 CH2 TRP A 54 -2.251 0.599 1.986 1.00 0.00 C ATOM 0 H TRP A 54 -2.670 -4.852 -3.398 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.182 -2.204 -3.677 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.160 -3.745 -1.982 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.656 -3.710 -1.083 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.735 -1.548 -1.853 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.816 0.462 -0.225 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.153 -2.164 0.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.124 1.594 1.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.450 -0.570 2.067 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.918 1.282 2.753 1.00 0.00 H new ATOM 884 N PHE A 55 -0.419 -2.532 -1.876 1.00 0.00 N ATOM 885 CA PHE A 55 0.809 -1.848 -1.484 1.00 0.00 C ATOM 886 C PHE A 55 1.540 -1.303 -2.708 1.00 0.00 C ATOM 887 O PHE A 55 2.080 -0.197 -2.679 1.00 0.00 O ATOM 888 CB PHE A 55 1.723 -2.799 -0.711 1.00 0.00 C ATOM 889 CG PHE A 55 1.485 -2.787 0.772 1.00 0.00 C ATOM 890 CD1 PHE A 55 2.135 -1.872 1.584 1.00 0.00 C ATOM 891 CD2 PHE A 55 0.610 -3.691 1.353 1.00 0.00 C ATOM 892 CE1 PHE A 55 1.917 -1.860 2.949 1.00 0.00 C ATOM 893 CE2 PHE A 55 0.387 -3.682 2.717 1.00 0.00 C ATOM 894 CZ PHE A 55 1.042 -2.765 3.516 1.00 0.00 C ATOM 0 H PHE A 55 -0.533 -3.460 -1.468 1.00 0.00 H new ATOM 0 HA PHE A 55 0.541 -1.011 -0.839 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.580 -3.812 -1.086 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.761 -2.531 -0.906 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.819 -1.160 1.146 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.096 -4.411 0.733 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.431 -1.143 3.572 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.298 -4.391 3.158 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.870 -2.756 4.582 1.00 0.00 H new ATOM 904 N GLN A 56 1.554 -2.088 -3.780 1.00 0.00 N ATOM 905 CA GLN A 56 2.220 -1.685 -5.013 1.00 0.00 C ATOM 906 C GLN A 56 1.528 -0.478 -5.636 1.00 0.00 C ATOM 907 O GLN A 56 2.180 0.406 -6.191 1.00 0.00 O ATOM 908 CB GLN A 56 2.242 -2.845 -6.009 1.00 0.00 C ATOM 909 CG GLN A 56 3.338 -3.863 -5.734 1.00 0.00 C ATOM 910 CD GLN A 56 3.415 -4.940 -6.799 1.00 0.00 C ATOM 911 OE1 GLN A 56 2.879 -6.036 -6.629 1.00 0.00 O ATOM 912 NE2 GLN A 56 4.081 -4.633 -7.906 1.00 0.00 N ATOM 0 H GLN A 56 1.112 -3.006 -3.820 1.00 0.00 H new ATOM 0 HA GLN A 56 3.245 -1.407 -4.768 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.276 -3.349 -5.988 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.372 -2.447 -7.015 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.298 -3.350 -5.671 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.161 -4.328 -4.764 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.510 -3.713 -8.005 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.164 -5.317 -8.658 1.00 0.00 H new ATOM 921 N ASN A 57 0.203 -0.447 -5.540 1.00 0.00 N ATOM 922 CA ASN A 57 -0.578 0.652 -6.096 1.00 0.00 C ATOM 923 C ASN A 57 -0.413 1.916 -5.257 1.00 0.00 C ATOM 924 O ASN A 57 -0.452 3.030 -5.779 1.00 0.00 O ATOM 925 CB ASN A 57 -2.057 0.268 -6.171 1.00 0.00 C ATOM 926 CG ASN A 57 -2.396 -0.473 -7.451 1.00 0.00 C ATOM 927 OD1 ASN A 57 -3.207 -0.010 -8.253 1.00 0.00 O ATOM 928 ND2 ASN A 57 -1.776 -1.631 -7.646 1.00 0.00 N ATOM 0 H ASN A 57 -0.352 -1.170 -5.083 1.00 0.00 H new ATOM 0 HA ASN A 57 -0.210 0.853 -7.102 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.312 -0.356 -5.314 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.668 1.168 -6.102 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.965 -2.175 -8.488 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.111 -1.976 -6.954 1.00 0.00 H new ATOM 935 N ALA A 58 -0.226 1.735 -3.953 1.00 0.00 N ATOM 936 CA ALA A 58 -0.052 2.858 -3.043 1.00 0.00 C ATOM 937 C ALA A 58 1.101 3.752 -3.488 1.00 0.00 C ATOM 938 O ALA A 58 0.911 4.940 -3.753 1.00 0.00 O ATOM 939 CB ALA A 58 0.184 2.358 -1.625 1.00 0.00 C ATOM 0 H ALA A 58 -0.191 0.820 -3.504 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.966 3.451 -3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.312 3.209 -0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.672 1.767 -1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.081 1.740 -1.602 1.00 0.00 H new ATOM 945 N ARG A 59 2.294 3.175 -3.568 1.00 0.00 N ATOM 946 CA ARG A 59 3.478 3.920 -3.980 1.00 0.00 C ATOM 947 C ARG A 59 3.169 4.812 -5.178 1.00 0.00 C ATOM 948 O ARG A 59 3.623 5.954 -5.248 1.00 0.00 O ATOM 949 CB ARG A 59 4.617 2.960 -4.326 1.00 0.00 C ATOM 950 CG ARG A 59 5.432 2.520 -3.120 1.00 0.00 C ATOM 951 CD ARG A 59 6.129 1.192 -3.374 1.00 0.00 C ATOM 952 NE ARG A 59 7.337 1.046 -2.566 1.00 0.00 N ATOM 953 CZ ARG A 59 8.500 1.608 -2.875 1.00 0.00 C ATOM 954 NH1 ARG A 59 8.612 2.351 -3.968 1.00 0.00 N ATOM 955 NH2 ARG A 59 9.554 1.428 -2.089 1.00 0.00 N ATOM 0 H ARG A 59 2.467 2.193 -3.353 1.00 0.00 H new ATOM 0 HA ARG A 59 3.786 4.552 -3.147 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.202 2.078 -4.814 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.280 3.441 -5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.174 3.282 -2.883 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.779 2.430 -2.252 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.443 0.374 -3.152 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.387 1.114 -4.430 1.00 0.00 H new ATOM 0 HE ARG A 59 7.285 0.482 -1.718 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.804 2.492 -4.574 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.506 2.781 -4.203 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.471 0.858 -1.247 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.447 1.860 -2.327 1.00 0.00 H new ATOM 969 N ALA A 60 2.394 4.283 -6.119 1.00 0.00 N ATOM 970 CA ALA A 60 2.023 5.032 -7.313 1.00 0.00 C ATOM 971 C ALA A 60 1.016 6.129 -6.983 1.00 0.00 C ATOM 972 O ALA A 60 1.043 7.209 -7.572 1.00 0.00 O ATOM 973 CB ALA A 60 1.457 4.095 -8.369 1.00 0.00 C ATOM 0 H ALA A 60 2.011 3.339 -6.077 1.00 0.00 H new ATOM 0 HA ALA A 60 2.922 5.506 -7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.184 4.668 -9.255 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.208 3.351 -8.635 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.573 3.594 -7.975 1.00 0.00 H new ATOM 979 N LYS A 61 0.128 5.844 -6.037 1.00 0.00 N ATOM 980 CA LYS A 61 -0.888 6.807 -5.626 1.00 0.00 C ATOM 981 C LYS A 61 -0.262 7.964 -4.855 1.00 0.00 C ATOM 982 O LYS A 61 -0.240 9.099 -5.330 1.00 0.00 O ATOM 983 CB LYS A 61 -1.950 6.121 -4.764 1.00 0.00 C ATOM 984 CG LYS A 61 -2.877 7.092 -4.054 1.00 0.00 C ATOM 985 CD LYS A 61 -2.339 7.477 -2.686 1.00 0.00 C ATOM 986 CE LYS A 61 -3.465 7.792 -1.712 1.00 0.00 C ATOM 987 NZ LYS A 61 -4.142 9.077 -2.045 1.00 0.00 N ATOM 0 H LYS A 61 0.091 4.954 -5.540 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.359 7.206 -6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.544 5.459 -5.393 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.455 5.496 -4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.002 7.988 -4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.863 6.641 -3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.732 6.663 -2.291 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.686 8.344 -2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.195 6.982 -1.726 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.066 7.843 -0.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.903 9.257 -1.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.451 9.853 -2.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.545 9.019 -3.002 1.00 0.00 H new ATOM 1001 N PHE A 62 0.248 7.669 -3.664 1.00 0.00 N ATOM 1002 CA PHE A 62 0.875 8.685 -2.827 1.00 0.00 C ATOM 1003 C PHE A 62 1.714 9.641 -3.670 1.00 0.00 C ATOM 1004 O PHE A 62 1.625 10.859 -3.518 1.00 0.00 O ATOM 1005 CB PHE A 62 1.751 8.026 -1.758 1.00 0.00 C ATOM 1006 CG PHE A 62 2.122 8.952 -0.635 1.00 0.00 C ATOM 1007 CD1 PHE A 62 2.989 10.011 -0.850 1.00 0.00 C ATOM 1008 CD2 PHE A 62 1.604 8.762 0.636 1.00 0.00 C ATOM 1009 CE1 PHE A 62 3.333 10.863 0.182 1.00 0.00 C ATOM 1010 CE2 PHE A 62 1.945 9.611 1.673 1.00 0.00 C ATOM 1011 CZ PHE A 62 2.809 10.663 1.445 1.00 0.00 C ATOM 0 H PHE A 62 0.239 6.734 -3.257 1.00 0.00 H new ATOM 0 HA PHE A 62 0.086 9.256 -2.338 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.225 7.164 -1.349 1.00 0.00 H new ATOM 0 HB3 PHE A 62 2.662 7.651 -2.226 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.401 10.172 -1.835 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.926 7.941 0.819 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.011 11.684 0.002 1.00 0.00 H new ATOM 0 HE2 PHE A 62 1.536 9.451 2.660 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.075 11.329 2.253 1.00 0.00 H new ATOM 1021 N ARG A 63 2.528 9.079 -4.557 1.00 0.00 N ATOM 1022 CA ARG A 63 3.384 9.881 -5.424 1.00 0.00 C ATOM 1023 C ARG A 63 2.553 10.670 -6.431 1.00 0.00 C ATOM 1024 O ARG A 63 2.919 11.779 -6.820 1.00 0.00 O ATOM 1025 CB ARG A 63 4.383 8.986 -6.160 1.00 0.00 C ATOM 1026 CG ARG A 63 5.463 8.410 -5.260 1.00 0.00 C ATOM 1027 CD ARG A 63 6.695 8.009 -6.055 1.00 0.00 C ATOM 1028 NE ARG A 63 7.540 9.158 -6.371 1.00 0.00 N ATOM 1029 CZ ARG A 63 8.432 9.668 -5.529 1.00 0.00 C ATOM 1030 NH1 ARG A 63 8.595 9.134 -4.327 1.00 0.00 N ATOM 1031 NH2 ARG A 63 9.163 10.715 -5.890 1.00 0.00 N ATOM 0 H ARG A 63 2.613 8.072 -4.695 1.00 0.00 H new ATOM 0 HA ARG A 63 3.931 10.587 -4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.843 8.167 -6.635 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.855 9.561 -6.957 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.740 9.146 -4.505 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.072 7.541 -4.730 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.272 7.280 -5.486 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.387 7.520 -6.979 1.00 0.00 H new ATOM 0 HE ARG A 63 7.440 9.592 -7.288 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.035 8.329 -4.046 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.281 9.528 -3.683 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.040 11.129 -6.814 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.848 11.106 -5.243 1.00 0.00 H new ATOM 1045 N ARG A 64 1.433 10.088 -6.850 1.00 0.00 N ATOM 1046 CA ARG A 64 0.551 10.736 -7.814 1.00 0.00 C ATOM 1047 C ARG A 64 -0.159 11.931 -7.183 1.00 0.00 C ATOM 1048 O ARG A 64 -0.166 13.027 -7.742 1.00 0.00 O ATOM 1049 CB ARG A 64 -0.480 9.738 -8.344 1.00 0.00 C ATOM 1050 CG ARG A 64 -1.323 10.281 -9.487 1.00 0.00 C ATOM 1051 CD ARG A 64 -2.343 11.296 -8.993 1.00 0.00 C ATOM 1052 NE ARG A 64 -3.547 11.306 -9.818 1.00 0.00 N ATOM 1053 CZ ARG A 64 -4.448 10.330 -9.815 1.00 0.00 C ATOM 1054 NH1 ARG A 64 -4.282 9.272 -9.035 1.00 0.00 N ATOM 1055 NH2 ARG A 64 -5.519 10.413 -10.594 1.00 0.00 N ATOM 0 H ARG A 64 1.116 9.170 -6.537 1.00 0.00 H new ATOM 0 HA ARG A 64 1.160 11.094 -8.644 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.037 8.839 -8.680 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.138 9.441 -7.528 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.675 10.747 -10.229 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.838 9.459 -9.984 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.612 11.067 -7.962 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.895 12.290 -8.993 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.705 12.106 -10.430 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.460 9.205 -8.434 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.976 8.524 -9.035 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.650 11.226 -11.195 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.211 9.663 -10.592 1.00 0.00 H new ATOM 1069 N ASN A 65 -0.757 11.710 -6.017 1.00 0.00 N ATOM 1070 CA ASN A 65 -1.470 12.767 -5.311 1.00 0.00 C ATOM 1071 C ASN A 65 -0.497 13.802 -4.754 1.00 0.00 C ATOM 1072 O ASN A 65 -0.770 15.003 -4.780 1.00 0.00 O ATOM 1073 CB ASN A 65 -2.308 12.176 -4.176 1.00 0.00 C ATOM 1074 CG ASN A 65 -2.985 13.245 -3.339 1.00 0.00 C ATOM 1075 OD1 ASN A 65 -4.204 13.406 -3.387 1.00 0.00 O ATOM 1076 ND2 ASN A 65 -2.194 13.982 -2.568 1.00 0.00 N ATOM 0 H ASN A 65 -0.762 10.808 -5.541 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.131 13.262 -6.022 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.065 11.513 -4.594 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.670 11.567 -3.536 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.592 14.717 -1.984 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.188 13.813 -2.560 1.00 0.00 H new ATOM 1083 N LEU A 66 0.638 13.329 -4.252 1.00 0.00 N ATOM 1084 CA LEU A 66 1.652 14.213 -3.689 1.00 0.00 C ATOM 1085 C LEU A 66 2.076 15.271 -4.703 1.00 0.00 C ATOM 1086 O LEU A 66 2.296 16.431 -4.351 1.00 0.00 O ATOM 1087 CB LEU A 66 2.870 13.403 -3.241 1.00 0.00 C ATOM 1088 CG LEU A 66 4.042 14.210 -2.679 1.00 0.00 C ATOM 1089 CD1 LEU A 66 4.842 13.371 -1.693 1.00 0.00 C ATOM 1090 CD2 LEU A 66 4.935 14.708 -3.805 1.00 0.00 C ATOM 0 H LEU A 66 0.879 12.338 -4.223 1.00 0.00 H new ATOM 0 HA LEU A 66 1.220 14.717 -2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.548 12.690 -2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.229 12.823 -4.091 1.00 0.00 H new ATOM 0 HG LEU A 66 3.643 15.075 -2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.672 13.961 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.197 13.063 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.231 12.487 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.763 15.280 -3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.327 13.857 -4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.356 15.344 -4.474 1.00 0.00 H new ATOM 1102 N LEU A 67 2.186 14.865 -5.963 1.00 0.00 N ATOM 1103 CA LEU A 67 2.580 15.779 -7.029 1.00 0.00 C ATOM 1104 C LEU A 67 1.379 16.561 -7.550 1.00 0.00 C ATOM 1105 O LEU A 67 1.512 17.700 -7.998 1.00 0.00 O ATOM 1106 CB LEU A 67 3.235 15.005 -8.175 1.00 0.00 C ATOM 1107 CG LEU A 67 2.292 14.505 -9.271 1.00 0.00 C ATOM 1108 CD1 LEU A 67 1.982 15.618 -10.259 1.00 0.00 C ATOM 1109 CD2 LEU A 67 2.896 13.305 -9.987 1.00 0.00 C ATOM 0 H LEU A 67 2.008 13.909 -6.271 1.00 0.00 H new ATOM 0 HA LEU A 67 3.300 16.487 -6.618 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.988 15.644 -8.635 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.759 14.147 -7.755 1.00 0.00 H new ATOM 0 HG LEU A 67 1.358 14.192 -8.805 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.310 15.243 -11.031 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.506 16.447 -9.735 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.907 15.963 -10.720 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.212 12.962 -10.763 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.845 13.592 -10.440 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.064 12.501 -9.271 1.00 0.00 H new ATOM 1121 N ARG A 68 0.203 15.943 -7.484 1.00 0.00 N ATOM 1122 CA ARG A 68 -1.023 16.581 -7.947 1.00 0.00 C ATOM 1123 C ARG A 68 -1.500 17.630 -6.947 1.00 0.00 C ATOM 1124 O ARG A 68 -1.686 17.336 -5.767 1.00 0.00 O ATOM 1125 CB ARG A 68 -2.116 15.534 -8.166 1.00 0.00 C ATOM 1126 CG ARG A 68 -3.185 15.968 -9.156 1.00 0.00 C ATOM 1127 CD ARG A 68 -4.528 15.325 -8.843 1.00 0.00 C ATOM 1128 NE ARG A 68 -5.428 15.351 -9.993 1.00 0.00 N ATOM 1129 CZ ARG A 68 -6.715 15.029 -9.926 1.00 0.00 C ATOM 1130 NH1 ARG A 68 -7.249 14.657 -8.771 1.00 0.00 N ATOM 1131 NH2 ARG A 68 -7.469 15.078 -11.017 1.00 0.00 N ATOM 0 H ARG A 68 0.074 15.001 -7.114 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.811 17.077 -8.894 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.657 14.611 -8.521 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.588 15.308 -7.210 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.285 17.053 -9.132 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.878 15.698 -10.166 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.371 14.293 -8.528 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.993 15.846 -8.006 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.048 15.632 -10.897 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.671 14.618 -7.931 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.237 14.410 -8.722 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.060 15.363 -11.907 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.457 14.831 -10.965 1.00 0.00 H new ATOM 1145 N GLN A 69 -1.698 18.853 -7.429 1.00 0.00 N ATOM 1146 CA GLN A 69 -2.153 19.945 -6.577 1.00 0.00 C ATOM 1147 C GLN A 69 -3.197 19.458 -5.577 1.00 0.00 C ATOM 1148 O GLN A 69 -4.360 19.264 -5.926 1.00 0.00 O ATOM 1149 CB GLN A 69 -2.733 21.076 -7.428 1.00 0.00 C ATOM 1150 CG GLN A 69 -3.364 22.191 -6.609 1.00 0.00 C ATOM 1151 CD GLN A 69 -2.377 22.858 -5.673 1.00 0.00 C ATOM 1152 OE1 GLN A 69 -1.451 23.542 -6.113 1.00 0.00 O ATOM 1153 NE2 GLN A 69 -2.568 22.666 -4.374 1.00 0.00 N ATOM 0 H GLN A 69 -1.550 19.112 -8.404 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.294 20.321 -6.022 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.941 21.496 -8.048 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.483 20.664 -8.104 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.783 22.939 -7.282 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -4.193 21.786 -6.028 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.348 22.092 -4.052 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.935 23.092 -3.697 1.00 0.00 H new ATOM 1162 N GLU A 70 -2.771 19.260 -4.334 1.00 0.00 N ATOM 1163 CA GLU A 70 -3.670 18.793 -3.284 1.00 0.00 C ATOM 1164 C GLU A 70 -3.345 19.461 -1.952 1.00 0.00 C ATOM 1165 O GLU A 70 -2.340 20.161 -1.826 1.00 0.00 O ATOM 1166 CB GLU A 70 -3.577 17.273 -3.142 1.00 0.00 C ATOM 1167 CG GLU A 70 -4.360 16.513 -4.199 1.00 0.00 C ATOM 1168 CD GLU A 70 -5.842 16.438 -3.886 1.00 0.00 C ATOM 1169 OE1 GLU A 70 -6.545 17.447 -4.102 1.00 0.00 O ATOM 1170 OE2 GLU A 70 -6.299 15.371 -3.424 1.00 0.00 O ATOM 0 H GLU A 70 -1.810 19.415 -4.029 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.688 19.063 -3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.530 16.975 -3.194 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.941 16.986 -2.156 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.221 16.996 -5.166 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.959 15.503 -4.286 1.00 0.00 H new ATOM 1177 N ASN A 71 -4.202 19.240 -0.960 1.00 0.00 N ATOM 1178 CA ASN A 71 -4.007 19.821 0.363 1.00 0.00 C ATOM 1179 C ASN A 71 -4.161 18.763 1.450 1.00 0.00 C ATOM 1180 O ASN A 71 -4.764 17.714 1.228 1.00 0.00 O ATOM 1181 CB ASN A 71 -5.004 20.958 0.595 1.00 0.00 C ATOM 1182 CG ASN A 71 -5.124 21.331 2.060 1.00 0.00 C ATOM 1183 OD1 ASN A 71 -5.980 20.812 2.777 1.00 0.00 O ATOM 1184 ND2 ASN A 71 -4.263 22.236 2.512 1.00 0.00 N ATOM 0 H ASN A 71 -5.038 18.663 -1.048 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.994 20.220 0.412 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.693 21.833 0.024 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.983 20.662 0.217 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.295 22.527 3.489 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.570 22.640 1.882 1.00 0.00 H new ATOM 1191 N GLY A 72 -3.612 19.047 2.628 1.00 0.00 N ATOM 1192 CA GLY A 72 -3.701 18.110 3.732 1.00 0.00 C ATOM 1193 C GLY A 72 -3.372 18.753 5.065 1.00 0.00 C ATOM 1194 O GLY A 72 -2.535 18.252 5.815 1.00 0.00 O ATOM 0 H GLY A 72 -3.108 19.909 2.837 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.708 17.694 3.771 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.019 17.278 3.555 1.00 0.00 H new ATOM 1198 N GLY A 73 -4.034 19.867 5.362 1.00 0.00 N ATOM 1199 CA GLY A 73 -3.794 20.563 6.612 1.00 0.00 C ATOM 1200 C GLY A 73 -4.711 20.092 7.723 1.00 0.00 C ATOM 1201 O GLY A 73 -5.724 20.728 8.013 1.00 0.00 O ATOM 0 H GLY A 73 -4.733 20.300 4.758 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.757 20.415 6.914 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.932 21.634 6.461 1.00 0.00 H new ATOM 1205 N VAL A 74 -4.356 18.973 8.347 1.00 0.00 N ATOM 1206 CA VAL A 74 -5.156 18.417 9.432 1.00 0.00 C ATOM 1207 C VAL A 74 -4.760 19.025 10.774 1.00 0.00 C ATOM 1208 O VAL A 74 -3.620 18.886 11.218 1.00 0.00 O ATOM 1209 CB VAL A 74 -5.007 16.886 9.511 1.00 0.00 C ATOM 1210 CG1 VAL A 74 -5.850 16.325 10.647 1.00 0.00 C ATOM 1211 CG2 VAL A 74 -5.390 16.245 8.185 1.00 0.00 C ATOM 0 H VAL A 74 -3.520 18.434 8.120 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.196 18.663 9.217 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.963 16.650 9.715 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.732 15.242 10.687 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.524 16.761 11.591 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.899 16.570 10.477 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.279 15.163 8.258 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.426 16.488 7.949 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.740 16.624 7.396 1.00 0.00 H new ATOM 1221 N SER A 75 -5.709 19.697 11.416 1.00 0.00 N ATOM 1222 CA SER A 75 -5.460 20.330 12.706 1.00 0.00 C ATOM 1223 C SER A 75 -4.775 19.358 13.662 1.00 0.00 C ATOM 1224 O SER A 75 -3.756 19.683 14.271 1.00 0.00 O ATOM 1225 CB SER A 75 -6.771 20.826 13.316 1.00 0.00 C ATOM 1226 OG SER A 75 -7.748 19.800 13.332 1.00 0.00 O ATOM 0 H SER A 75 -6.659 19.818 11.064 1.00 0.00 H new ATOM 0 HA SER A 75 -4.799 21.182 12.545 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.592 21.178 14.332 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.142 21.677 12.745 1.00 0.00 H new ATOM 0 HG SER A 75 -8.576 20.143 13.729 1.00 0.00 H new ATOM 1232 N GLY A 76 -5.344 18.164 13.792 1.00 0.00 N ATOM 1233 CA GLY A 76 -4.777 17.163 14.675 1.00 0.00 C ATOM 1234 C GLY A 76 -5.735 16.750 15.775 1.00 0.00 C ATOM 1235 O GLY A 76 -6.563 17.538 16.234 1.00 0.00 O ATOM 0 H GLY A 76 -6.189 17.872 13.301 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.498 16.285 14.092 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.862 17.553 15.122 1.00 0.00 H new ATOM 1239 N PRO A 77 -5.629 15.487 16.214 1.00 0.00 N ATOM 1240 CA PRO A 77 -6.487 14.942 17.271 1.00 0.00 C ATOM 1241 C PRO A 77 -6.178 15.547 18.636 1.00 0.00 C ATOM 1242 O PRO A 77 -5.015 15.732 18.995 1.00 0.00 O ATOM 1243 CB PRO A 77 -6.157 13.448 17.261 1.00 0.00 C ATOM 1244 CG PRO A 77 -4.777 13.369 16.703 1.00 0.00 C ATOM 1245 CD PRO A 77 -4.665 14.494 15.713 1.00 0.00 C ATOM 0 HA PRO A 77 -7.540 15.160 17.095 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.203 13.026 18.265 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.865 12.890 16.648 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.031 13.468 17.492 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.606 12.407 16.221 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.653 14.899 15.677 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.913 14.167 14.703 1.00 0.00 H new ATOM 1253 N SER A 78 -7.227 15.850 19.395 1.00 0.00 N ATOM 1254 CA SER A 78 -7.067 16.437 20.721 1.00 0.00 C ATOM 1255 C SER A 78 -7.654 15.524 21.793 1.00 0.00 C ATOM 1256 O SER A 78 -8.396 14.589 21.489 1.00 0.00 O ATOM 1257 CB SER A 78 -7.740 17.810 20.779 1.00 0.00 C ATOM 1258 OG SER A 78 -7.213 18.592 21.836 1.00 0.00 O ATOM 0 H SER A 78 -8.196 15.699 19.115 1.00 0.00 H new ATOM 0 HA SER A 78 -6.001 16.555 20.913 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.596 18.329 19.832 1.00 0.00 H new ATOM 0 HB3 SER A 78 -8.814 17.686 20.915 1.00 0.00 H new ATOM 0 HG SER A 78 -7.658 19.465 21.851 1.00 0.00 H new ATOM 1264 N SER A 79 -7.316 15.802 23.048 1.00 0.00 N ATOM 1265 CA SER A 79 -7.806 15.004 24.166 1.00 0.00 C ATOM 1266 C SER A 79 -7.595 15.735 25.488 1.00 0.00 C ATOM 1267 O SER A 79 -6.931 16.770 25.539 1.00 0.00 O ATOM 1268 CB SER A 79 -7.099 13.648 24.200 1.00 0.00 C ATOM 1269 OG SER A 79 -7.628 12.772 23.220 1.00 0.00 O ATOM 0 H SER A 79 -6.705 16.573 23.316 1.00 0.00 H new ATOM 0 HA SER A 79 -8.875 14.844 24.026 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.031 13.787 24.030 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.209 13.202 25.188 1.00 0.00 H new ATOM 0 HG SER A 79 -8.282 13.253 22.670 1.00 0.00 H new ATOM 1275 N GLY A 80 -8.164 15.187 26.558 1.00 0.00 N ATOM 1276 CA GLY A 80 -8.027 15.799 27.867 1.00 0.00 C ATOM 1277 C GLY A 80 -6.761 15.368 28.578 1.00 0.00 C ATOM 1278 O GLY A 80 -6.675 15.441 29.804 1.00 0.00 O ATOM 0 H GLY A 80 -8.717 14.330 26.541 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.028 16.884 27.760 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.891 15.538 28.479 1.00 0.00 H new TER 1282 GLY A 80