USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 763 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 24 SER OG : rot 35:sc= 0.818 USER MOD Set 1.2: A 58 SER OG : rot -157:sc= 0.523 USER MOD Set 2.1: A 19 ASN : amide:sc= 1.12 K(o=2.3,f=0.54) USER MOD Set 2.2: A 56 SER OG : rot 56:sc= 1.22 USER MOD Single : A 1 SER N :NH3+ 148:sc= 0.0219 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.0382 K(o=-0.038,f=-0.61) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0267 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -171:sc= -0.0248 (180deg=-0.176) USER MOD Single : A 20 THR OG1 : rot 71:sc= -2.83 USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 25 MET CE :methyl 163:sc= -0.0596 (180deg=-0.462) USER MOD Single : A 27 MET CE :methyl -139:sc= -0.138 (180deg=-0.721) USER MOD Single : A 28 THR OG1 : rot -160:sc= 0.227 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 156:sc= 0.895 (180deg=-0.587) USER MOD Single : A 37 THR OG1 : rot -7:sc= 0.254 USER MOD Single : A 40 TYR OH : rot 23:sc= 1.06 USER MOD Single : A 41 ASN : amide:sc= -3.37! K(o=-3.4!,f=-1.6) USER MOD Single : A 43 SER OG : rot 180:sc= 0.048 USER MOD Single : A 45 ASN : amide:sc= 1.03 K(o=1,f=-0.017) USER MOD Single : A 47 ASN : amide:sc= -0.874 K(o=-0.87,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HE2:sc= 0.672 K(o=0.67,f=-2.4!) USER MOD Single : A 65 TYR OH : rot 61:sc= 0.605 USER MOD Single : A 68 LYS NZ :NH3+ -116:sc= 1.2 (180deg=-1.42) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ -161:sc= 1.24 (180deg=0.818) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -77:sc= 1.27 USER MOD Single : A 88 GLN : amide:sc= 1.14 K(o=1.1,f=-0.93) USER MOD Single : A 91 HIS : no HE2:sc= 0.561 K(o=0.56,f=-4.3!) USER MOD Single : A 92 HIS : no HE2:sc= 1.43 K(o=1.4,f=-4.6!) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HE2:sc= 1.04 K(o=1,f=-5!) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -11.035 -2.104 -25.923 1.00 0.00 N ATOM 2 CA SER A 1 -11.043 -1.513 -24.572 1.00 0.00 C ATOM 3 C SER A 1 -12.268 -1.976 -23.791 1.00 0.00 C ATOM 4 O SER A 1 -13.363 -2.081 -24.346 1.00 0.00 O ATOM 5 CB SER A 1 -11.035 0.010 -24.677 1.00 0.00 C ATOM 6 OG SER A 1 -9.919 0.461 -25.427 1.00 0.00 O ATOM 0 H1 SER A 1 -10.590 -1.441 -26.589 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.498 -2.994 -25.909 1.00 0.00 H new ATOM 0 H3 SER A 1 -12.012 -2.294 -26.225 1.00 0.00 H new ATOM 0 HA SER A 1 -10.151 -1.843 -24.040 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.957 0.351 -25.149 1.00 0.00 H new ATOM 0 HB3 SER A 1 -11.008 0.447 -23.679 1.00 0.00 H new ATOM 0 HG SER A 1 -9.936 1.439 -25.482 1.00 0.00 H new ATOM 14 N SER A 2 -12.073 -2.270 -22.514 1.00 0.00 N ATOM 15 CA SER A 2 -13.166 -2.677 -21.646 1.00 0.00 C ATOM 16 C SER A 2 -14.086 -1.492 -21.358 1.00 0.00 C ATOM 17 O SER A 2 -13.621 -0.405 -21.012 1.00 0.00 O ATOM 18 CB SER A 2 -12.603 -3.245 -20.347 1.00 0.00 C ATOM 19 OG SER A 2 -11.634 -4.244 -20.614 1.00 0.00 O ATOM 0 H SER A 2 -11.163 -2.234 -22.055 1.00 0.00 H new ATOM 0 HA SER A 2 -13.751 -3.448 -22.146 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.154 -2.444 -19.759 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.411 -3.666 -19.748 1.00 0.00 H new ATOM 0 HG SER A 2 -11.284 -4.594 -19.768 1.00 0.00 H new ATOM 25 N GLN A 3 -15.388 -1.712 -21.490 1.00 0.00 N ATOM 26 CA GLN A 3 -16.367 -0.639 -21.354 1.00 0.00 C ATOM 27 C GLN A 3 -16.552 -0.253 -19.892 1.00 0.00 C ATOM 28 O GLN A 3 -16.540 0.926 -19.540 1.00 0.00 O ATOM 29 CB GLN A 3 -17.709 -1.066 -21.956 1.00 0.00 C ATOM 30 CG GLN A 3 -17.617 -1.487 -23.416 1.00 0.00 C ATOM 31 CD GLN A 3 -17.067 -0.396 -24.314 1.00 0.00 C ATOM 32 OE1 GLN A 3 -17.249 0.793 -24.057 1.00 0.00 O ATOM 33 NE2 GLN A 3 -16.385 -0.795 -25.375 1.00 0.00 N ATOM 0 H GLN A 3 -15.792 -2.627 -21.692 1.00 0.00 H new ATOM 0 HA GLN A 3 -15.994 0.231 -21.895 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -18.112 -1.894 -21.373 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -18.416 -0.241 -21.869 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -16.982 -2.369 -23.495 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -18.607 -1.775 -23.768 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -16.256 -1.791 -25.553 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -15.988 -0.107 -26.015 1.00 0.00 H new ATOM 42 N THR A 4 -16.689 -1.254 -19.036 1.00 0.00 N ATOM 43 CA THR A 4 -16.916 -1.024 -17.618 1.00 0.00 C ATOM 44 C THR A 4 -15.633 -0.594 -16.904 1.00 0.00 C ATOM 45 O THR A 4 -15.638 -0.339 -15.701 1.00 0.00 O ATOM 46 CB THR A 4 -17.491 -2.282 -16.948 1.00 0.00 C ATOM 47 OG1 THR A 4 -16.777 -3.442 -17.395 1.00 0.00 O ATOM 48 CG2 THR A 4 -18.972 -2.433 -17.267 1.00 0.00 C ATOM 0 H THR A 4 -16.647 -2.238 -19.301 1.00 0.00 H new ATOM 0 HA THR A 4 -17.639 -0.213 -17.534 1.00 0.00 H new ATOM 0 HB THR A 4 -17.378 -2.181 -15.869 1.00 0.00 H new ATOM 0 HG1 THR A 4 -17.147 -4.240 -16.963 1.00 0.00 H new ATOM 0 HG21 THR A 4 -19.359 -3.330 -16.783 1.00 0.00 H new ATOM 0 HG22 THR A 4 -19.514 -1.561 -16.901 1.00 0.00 H new ATOM 0 HG23 THR A 4 -19.105 -2.517 -18.346 1.00 0.00 H new ATOM 56 N LEU A 5 -14.541 -0.507 -17.658 1.00 0.00 N ATOM 57 CA LEU A 5 -13.269 -0.050 -17.116 1.00 0.00 C ATOM 58 C LEU A 5 -13.207 1.475 -17.165 1.00 0.00 C ATOM 59 O LEU A 5 -12.407 2.103 -16.473 1.00 0.00 O ATOM 60 CB LEU A 5 -12.105 -0.655 -17.908 1.00 0.00 C ATOM 61 CG LEU A 5 -10.707 -0.323 -17.382 1.00 0.00 C ATOM 62 CD1 LEU A 5 -10.490 -0.939 -16.006 1.00 0.00 C ATOM 63 CD2 LEU A 5 -9.645 -0.800 -18.361 1.00 0.00 C ATOM 0 H LEU A 5 -14.514 -0.748 -18.649 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.187 -0.376 -16.079 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.221 -1.739 -17.921 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -12.176 -0.315 -18.941 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.622 0.759 -17.285 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -9.490 -0.691 -15.650 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -11.231 -0.545 -15.310 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -10.594 -2.022 -16.072 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -8.656 -0.556 -17.972 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -9.728 -1.879 -18.491 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.789 -0.307 -19.322 1.00 0.00 H new ATOM 75 N ASP A 6 -14.072 2.063 -17.984 1.00 0.00 N ATOM 76 CA ASP A 6 -14.146 3.515 -18.112 1.00 0.00 C ATOM 77 C ASP A 6 -14.874 4.106 -16.911 1.00 0.00 C ATOM 78 O ASP A 6 -14.818 5.310 -16.651 1.00 0.00 O ATOM 79 CB ASP A 6 -14.857 3.899 -19.415 1.00 0.00 C ATOM 80 CG ASP A 6 -14.896 5.397 -19.649 1.00 0.00 C ATOM 81 OD1 ASP A 6 -13.835 5.986 -19.947 1.00 0.00 O ATOM 82 OD2 ASP A 6 -15.987 5.995 -19.543 1.00 0.00 O ATOM 0 H ASP A 6 -14.734 1.555 -18.571 1.00 0.00 H new ATOM 0 HA ASP A 6 -13.134 3.920 -18.142 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -14.352 3.419 -20.253 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -15.876 3.513 -19.394 1.00 0.00 H new ATOM 87 N ARG A 7 -15.553 3.240 -16.173 1.00 0.00 N ATOM 88 CA ARG A 7 -16.248 3.637 -14.961 1.00 0.00 C ATOM 89 C ARG A 7 -15.529 3.105 -13.738 1.00 0.00 C ATOM 90 O ARG A 7 -15.160 1.934 -13.705 1.00 0.00 O ATOM 91 CB ARG A 7 -17.675 3.098 -14.952 1.00 0.00 C ATOM 92 CG ARG A 7 -18.610 3.773 -15.932 1.00 0.00 C ATOM 93 CD ARG A 7 -20.012 3.222 -15.781 1.00 0.00 C ATOM 94 NE ARG A 7 -20.994 3.991 -16.534 1.00 0.00 N ATOM 95 CZ ARG A 7 -21.779 4.917 -15.988 1.00 0.00 C ATOM 96 NH1 ARG A 7 -21.641 5.239 -14.705 1.00 0.00 N ATOM 97 NH2 ARG A 7 -22.700 5.522 -16.723 1.00 0.00 N ATOM 0 H ARG A 7 -15.637 2.248 -16.397 1.00 0.00 H new ATOM 0 HA ARG A 7 -16.268 4.727 -14.937 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -17.648 2.031 -15.172 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -18.084 3.206 -13.947 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -18.614 4.849 -15.760 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -18.257 3.614 -16.951 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -20.030 2.185 -16.117 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -20.287 3.220 -14.726 1.00 0.00 H new ATOM 0 HE ARG A 7 -21.085 3.810 -17.534 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -20.932 4.776 -14.136 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -22.244 5.949 -14.290 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -22.808 5.278 -17.708 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -23.301 6.232 -16.304 1.00 0.00 H new ATOM 111 N ASP A 8 -15.334 3.974 -12.747 1.00 0.00 N ATOM 112 CA ASP A 8 -14.792 3.584 -11.441 1.00 0.00 C ATOM 113 C ASP A 8 -13.483 2.803 -11.594 1.00 0.00 C ATOM 114 O ASP A 8 -13.476 1.569 -11.628 1.00 0.00 O ATOM 115 CB ASP A 8 -15.818 2.753 -10.661 1.00 0.00 C ATOM 116 CG ASP A 8 -17.215 3.349 -10.715 1.00 0.00 C ATOM 117 OD1 ASP A 8 -17.411 4.482 -10.218 1.00 0.00 O ATOM 118 OD2 ASP A 8 -18.124 2.692 -11.278 1.00 0.00 O ATOM 0 H ASP A 8 -15.546 4.969 -12.824 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.578 4.495 -10.882 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.843 1.741 -11.065 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -15.501 2.674 -9.621 1.00 0.00 H new ATOM 123 N PRO A 9 -12.358 3.519 -11.699 1.00 0.00 N ATOM 124 CA PRO A 9 -11.062 2.912 -11.993 1.00 0.00 C ATOM 125 C PRO A 9 -10.415 2.237 -10.784 1.00 0.00 C ATOM 126 O PRO A 9 -10.600 2.655 -9.637 1.00 0.00 O ATOM 127 CB PRO A 9 -10.223 4.102 -12.453 1.00 0.00 C ATOM 128 CG PRO A 9 -10.795 5.275 -11.728 1.00 0.00 C ATOM 129 CD PRO A 9 -12.261 4.982 -11.530 1.00 0.00 C ATOM 0 HA PRO A 9 -11.153 2.112 -12.727 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.170 3.961 -12.209 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.285 4.236 -13.533 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.296 5.420 -10.770 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.656 6.191 -12.302 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.600 5.293 -10.542 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.876 5.510 -12.259 1.00 0.00 H new ATOM 137 N THR A 10 -9.669 1.174 -11.053 1.00 0.00 N ATOM 138 CA THR A 10 -8.856 0.531 -10.038 1.00 0.00 C ATOM 139 C THR A 10 -7.465 1.151 -10.032 1.00 0.00 C ATOM 140 O THR A 10 -6.684 0.963 -10.966 1.00 0.00 O ATOM 141 CB THR A 10 -8.754 -0.990 -10.277 1.00 0.00 C ATOM 142 OG1 THR A 10 -10.067 -1.566 -10.322 1.00 0.00 O ATOM 143 CG2 THR A 10 -7.944 -1.664 -9.175 1.00 0.00 C ATOM 0 H THR A 10 -9.612 0.739 -11.974 1.00 0.00 H new ATOM 0 HA THR A 10 -9.333 0.685 -9.070 1.00 0.00 H new ATOM 0 HB THR A 10 -8.248 -1.150 -11.229 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.996 -2.531 -10.476 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.888 -2.735 -9.368 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.938 -1.246 -9.155 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.427 -1.494 -8.213 1.00 0.00 H new ATOM 151 N LEU A 11 -7.168 1.906 -8.988 1.00 0.00 N ATOM 152 CA LEU A 11 -5.916 2.636 -8.911 1.00 0.00 C ATOM 153 C LEU A 11 -4.798 1.741 -8.407 1.00 0.00 C ATOM 154 O LEU A 11 -4.987 0.936 -7.493 1.00 0.00 O ATOM 155 CB LEU A 11 -6.066 3.853 -8.000 1.00 0.00 C ATOM 156 CG LEU A 11 -7.196 4.806 -8.385 1.00 0.00 C ATOM 157 CD1 LEU A 11 -7.322 5.924 -7.363 1.00 0.00 C ATOM 158 CD2 LEU A 11 -6.972 5.376 -9.779 1.00 0.00 C ATOM 0 H LEU A 11 -7.779 2.029 -8.181 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.659 2.975 -9.914 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.233 3.507 -6.980 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.127 4.407 -7.999 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.129 4.242 -8.395 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.132 6.593 -7.654 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.537 5.498 -6.383 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.388 6.483 -7.319 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.789 6.052 -10.031 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.029 5.922 -9.801 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.937 4.562 -10.503 1.00 0.00 H new ATOM 170 N THR A 12 -3.641 1.878 -9.022 1.00 0.00 N ATOM 171 CA THR A 12 -2.470 1.118 -8.628 1.00 0.00 C ATOM 172 C THR A 12 -1.448 2.040 -7.976 1.00 0.00 C ATOM 173 O THR A 12 -0.748 2.790 -8.654 1.00 0.00 O ATOM 174 CB THR A 12 -1.839 0.411 -9.840 1.00 0.00 C ATOM 175 OG1 THR A 12 -2.859 -0.290 -10.565 1.00 0.00 O ATOM 176 CG2 THR A 12 -0.762 -0.571 -9.401 1.00 0.00 C ATOM 0 H THR A 12 -3.485 2.514 -9.804 1.00 0.00 H new ATOM 0 HA THR A 12 -2.781 0.358 -7.911 1.00 0.00 H new ATOM 0 HB THR A 12 -1.377 1.164 -10.478 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.460 -0.740 -11.339 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.333 -1.056 -10.278 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.021 -0.036 -8.863 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.201 -1.325 -8.748 1.00 0.00 H new ATOM 184 N LEU A 13 -1.386 1.997 -6.654 1.00 0.00 N ATOM 185 CA LEU A 13 -0.505 2.880 -5.906 1.00 0.00 C ATOM 186 C LEU A 13 0.739 2.127 -5.467 1.00 0.00 C ATOM 187 O LEU A 13 0.717 0.905 -5.340 1.00 0.00 O ATOM 188 CB LEU A 13 -1.229 3.445 -4.680 1.00 0.00 C ATOM 189 CG LEU A 13 -2.589 4.090 -4.961 1.00 0.00 C ATOM 190 CD1 LEU A 13 -3.173 4.677 -3.687 1.00 0.00 C ATOM 191 CD2 LEU A 13 -2.463 5.158 -6.033 1.00 0.00 C ATOM 0 H LEU A 13 -1.935 1.360 -6.077 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.213 3.707 -6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.370 2.640 -3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.585 4.187 -4.208 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.267 3.318 -5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.139 5.131 -3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.302 3.886 -2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.497 5.435 -3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.440 5.604 -6.218 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.769 5.929 -5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.089 4.708 -6.953 1.00 0.00 H new ATOM 203 N SER A 14 1.819 2.848 -5.241 1.00 0.00 N ATOM 204 CA SER A 14 3.063 2.231 -4.815 1.00 0.00 C ATOM 205 C SER A 14 3.109 2.130 -3.293 1.00 0.00 C ATOM 206 O SER A 14 2.614 3.016 -2.593 1.00 0.00 O ATOM 207 CB SER A 14 4.246 3.054 -5.323 1.00 0.00 C ATOM 208 OG SER A 14 4.100 3.356 -6.704 1.00 0.00 O ATOM 0 H SER A 14 1.862 3.862 -5.345 1.00 0.00 H new ATOM 0 HA SER A 14 3.121 1.225 -5.231 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.323 3.979 -4.751 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.173 2.503 -5.164 1.00 0.00 H new ATOM 0 HG SER A 14 4.868 3.885 -7.006 1.00 0.00 H new ATOM 214 N LEU A 15 3.683 1.045 -2.790 1.00 0.00 N ATOM 215 CA LEU A 15 3.820 0.845 -1.355 1.00 0.00 C ATOM 216 C LEU A 15 5.193 1.323 -0.890 1.00 0.00 C ATOM 217 O LEU A 15 6.214 0.928 -1.450 1.00 0.00 O ATOM 218 CB LEU A 15 3.631 -0.636 -1.005 1.00 0.00 C ATOM 219 CG LEU A 15 3.668 -0.966 0.488 1.00 0.00 C ATOM 220 CD1 LEU A 15 2.514 -0.293 1.210 1.00 0.00 C ATOM 221 CD2 LEU A 15 3.624 -2.472 0.701 1.00 0.00 C ATOM 0 H LEU A 15 4.062 0.287 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 15 3.052 1.425 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.675 -0.969 -1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.408 -1.213 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 15 4.602 -0.586 0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.556 -0.539 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.587 0.787 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.570 -0.644 0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.651 -2.689 1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.706 -2.873 0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.484 -2.933 0.215 1.00 0.00 H new ATOM 233 N ILE A 16 5.209 2.187 0.115 1.00 0.00 N ATOM 234 CA ILE A 16 6.459 2.719 0.646 1.00 0.00 C ATOM 235 C ILE A 16 6.582 2.460 2.146 1.00 0.00 C ATOM 236 O ILE A 16 5.589 2.200 2.830 1.00 0.00 O ATOM 237 CB ILE A 16 6.595 4.235 0.379 1.00 0.00 C ATOM 238 CG1 ILE A 16 5.393 4.995 0.957 1.00 0.00 C ATOM 239 CG2 ILE A 16 6.738 4.503 -1.114 1.00 0.00 C ATOM 240 CD1 ILE A 16 5.486 6.500 0.799 1.00 0.00 C ATOM 0 H ILE A 16 4.371 2.536 0.580 1.00 0.00 H new ATOM 0 HA ILE A 16 7.263 2.198 0.126 1.00 0.00 H new ATOM 0 HB ILE A 16 7.495 4.594 0.878 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.484 4.643 0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.299 4.756 2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.833 5.576 -1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.626 3.996 -1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.858 4.129 -1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.601 6.967 1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.376 6.865 1.312 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.548 6.752 -0.260 1.00 0.00 H new ATOM 252 N ALA A 17 7.808 2.532 2.647 1.00 0.00 N ATOM 253 CA ALA A 17 8.083 2.331 4.061 1.00 0.00 C ATOM 254 C ALA A 17 7.965 3.649 4.815 1.00 0.00 C ATOM 255 O ALA A 17 8.733 4.584 4.569 1.00 0.00 O ATOM 256 CB ALA A 17 9.469 1.729 4.244 1.00 0.00 C ATOM 0 H ALA A 17 8.636 2.731 2.086 1.00 0.00 H new ATOM 0 HA ALA A 17 7.348 1.637 4.468 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.665 1.583 5.306 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.520 0.769 3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.217 2.404 3.827 1.00 0.00 H new ATOM 262 N LYS A 18 7.002 3.730 5.722 1.00 0.00 N ATOM 263 CA LYS A 18 6.770 4.954 6.468 1.00 0.00 C ATOM 264 C LYS A 18 7.076 4.731 7.943 1.00 0.00 C ATOM 265 O LYS A 18 6.791 3.660 8.485 1.00 0.00 O ATOM 266 CB LYS A 18 5.321 5.420 6.298 1.00 0.00 C ATOM 267 CG LYS A 18 5.113 6.895 6.611 1.00 0.00 C ATOM 268 CD LYS A 18 5.726 7.777 5.535 1.00 0.00 C ATOM 269 CE LYS A 18 5.619 9.256 5.879 1.00 0.00 C ATOM 270 NZ LYS A 18 4.213 9.675 6.121 1.00 0.00 N ATOM 0 H LYS A 18 6.371 2.964 5.957 1.00 0.00 H new ATOM 0 HA LYS A 18 7.432 5.728 6.079 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.004 5.227 5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.679 4.825 6.948 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.047 7.105 6.693 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.560 7.131 7.577 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.775 7.511 5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.227 7.589 4.584 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.217 9.465 6.766 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.038 9.848 5.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.168 10.711 6.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.616 9.363 5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.870 9.245 7.003 1.00 0.00 H new ATOM 284 N ASN A 19 7.680 5.739 8.571 1.00 0.00 N ATOM 285 CA ASN A 19 8.011 5.696 9.999 1.00 0.00 C ATOM 286 C ASN A 19 9.017 4.585 10.283 1.00 0.00 C ATOM 287 O ASN A 19 9.172 4.145 11.422 1.00 0.00 O ATOM 288 CB ASN A 19 6.750 5.487 10.853 1.00 0.00 C ATOM 289 CG ASN A 19 5.687 6.545 10.615 1.00 0.00 C ATOM 290 OD1 ASN A 19 5.991 7.681 10.248 1.00 0.00 O ATOM 291 ND2 ASN A 19 4.430 6.182 10.825 1.00 0.00 N ATOM 0 H ASN A 19 7.954 6.606 8.109 1.00 0.00 H new ATOM 0 HA ASN A 19 8.455 6.655 10.266 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.331 4.504 10.637 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.028 5.490 11.907 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.675 6.853 10.683 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.218 5.232 11.129 1.00 0.00 H new ATOM 298 N THR A 20 9.725 4.169 9.243 1.00 0.00 N ATOM 299 CA THR A 20 10.619 3.029 9.320 1.00 0.00 C ATOM 300 C THR A 20 11.987 3.415 9.891 1.00 0.00 C ATOM 301 O THR A 20 12.692 4.256 9.327 1.00 0.00 O ATOM 302 CB THR A 20 10.785 2.399 7.924 1.00 0.00 C ATOM 303 OG1 THR A 20 9.493 2.084 7.391 1.00 0.00 O ATOM 304 CG2 THR A 20 11.637 1.138 7.982 1.00 0.00 C ATOM 0 H THR A 20 9.694 4.613 8.325 1.00 0.00 H new ATOM 0 HA THR A 20 10.174 2.301 9.999 1.00 0.00 H new ATOM 0 HB THR A 20 11.292 3.118 7.280 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.025 2.913 7.157 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.735 0.718 6.981 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.625 1.384 8.370 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.162 0.408 8.637 1.00 0.00 H new ATOM 312 N PRO A 21 12.367 2.819 11.035 1.00 0.00 N ATOM 313 CA PRO A 21 13.660 3.060 11.675 1.00 0.00 C ATOM 314 C PRO A 21 14.802 2.339 10.959 1.00 0.00 C ATOM 315 O PRO A 21 14.595 1.309 10.315 1.00 0.00 O ATOM 316 CB PRO A 21 13.487 2.495 13.098 1.00 0.00 C ATOM 317 CG PRO A 21 12.052 2.086 13.209 1.00 0.00 C ATOM 318 CD PRO A 21 11.564 1.867 11.807 1.00 0.00 C ATOM 0 HA PRO A 21 13.923 4.118 11.656 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.149 1.645 13.263 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.738 3.245 13.848 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.952 1.177 13.801 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.466 2.858 13.708 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.725 0.841 11.478 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.497 2.068 11.714 1.00 0.00 H new ATOM 326 N ALA A 22 16.010 2.874 11.103 1.00 0.00 N ATOM 327 CA ALA A 22 17.188 2.329 10.435 1.00 0.00 C ATOM 328 C ALA A 22 17.664 1.024 11.075 1.00 0.00 C ATOM 329 O ALA A 22 18.633 0.421 10.619 1.00 0.00 O ATOM 330 CB ALA A 22 18.316 3.352 10.448 1.00 0.00 C ATOM 0 H ALA A 22 16.200 3.692 11.682 1.00 0.00 H new ATOM 0 HA ALA A 22 16.903 2.106 9.407 1.00 0.00 H new ATOM 0 HB1 ALA A 22 19.190 2.936 9.947 1.00 0.00 H new ATOM 0 HB2 ALA A 22 17.995 4.254 9.928 1.00 0.00 H new ATOM 0 HB3 ALA A 22 18.571 3.599 11.478 1.00 0.00 H new ATOM 336 N ASN A 23 16.997 0.594 12.137 1.00 0.00 N ATOM 337 CA ASN A 23 17.368 -0.650 12.806 1.00 0.00 C ATOM 338 C ASN A 23 16.794 -1.847 12.064 1.00 0.00 C ATOM 339 O ASN A 23 17.375 -2.935 12.065 1.00 0.00 O ATOM 340 CB ASN A 23 16.886 -0.666 14.261 1.00 0.00 C ATOM 341 CG ASN A 23 17.530 0.415 15.109 1.00 0.00 C ATOM 342 OD1 ASN A 23 18.636 0.878 14.818 1.00 0.00 O ATOM 343 ND2 ASN A 23 16.851 0.813 16.173 1.00 0.00 N ATOM 0 H ASN A 23 16.203 1.081 12.553 1.00 0.00 H new ATOM 0 HA ASN A 23 18.456 -0.712 12.802 1.00 0.00 H new ATOM 0 HB2 ASN A 23 15.804 -0.540 14.281 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.101 -1.641 14.699 1.00 0.00 H new ATOM 0 HD21 ASN A 23 17.240 1.528 16.788 1.00 0.00 H new ATOM 0 HD22 ASN A 23 15.939 0.405 16.378 1.00 0.00 H new ATOM 350 N SER A 24 15.668 -1.631 11.407 1.00 0.00 N ATOM 351 CA SER A 24 14.970 -2.694 10.715 1.00 0.00 C ATOM 352 C SER A 24 15.133 -2.536 9.213 1.00 0.00 C ATOM 353 O SER A 24 14.907 -1.457 8.664 1.00 0.00 O ATOM 354 CB SER A 24 13.490 -2.683 11.101 1.00 0.00 C ATOM 355 OG SER A 24 12.949 -1.372 11.018 1.00 0.00 O ATOM 0 H SER A 24 15.216 -0.719 11.340 1.00 0.00 H new ATOM 0 HA SER A 24 15.399 -3.652 11.008 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.935 -3.351 10.443 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.373 -3.064 12.115 1.00 0.00 H new ATOM 0 HG SER A 24 13.362 -0.894 10.269 1.00 0.00 H new ATOM 361 N MET A 25 15.549 -3.602 8.559 1.00 0.00 N ATOM 362 CA MET A 25 15.750 -3.579 7.124 1.00 0.00 C ATOM 363 C MET A 25 14.837 -4.593 6.454 1.00 0.00 C ATOM 364 O MET A 25 14.824 -5.765 6.822 1.00 0.00 O ATOM 365 CB MET A 25 17.213 -3.871 6.806 1.00 0.00 C ATOM 366 CG MET A 25 17.560 -3.757 5.331 1.00 0.00 C ATOM 367 SD MET A 25 19.323 -3.982 5.021 1.00 0.00 S ATOM 368 CE MET A 25 19.548 -5.681 5.549 1.00 0.00 C ATOM 0 H MET A 25 15.755 -4.498 9.000 1.00 0.00 H new ATOM 0 HA MET A 25 15.501 -2.590 6.738 1.00 0.00 H new ATOM 0 HB2 MET A 25 17.841 -3.182 7.371 1.00 0.00 H new ATOM 0 HB3 MET A 25 17.455 -4.877 7.149 1.00 0.00 H new ATOM 0 HG2 MET A 25 16.997 -4.502 4.769 1.00 0.00 H new ATOM 0 HG3 MET A 25 17.251 -2.779 4.962 1.00 0.00 H new ATOM 0 HE1 MET A 25 20.487 -6.065 5.150 1.00 0.00 H new ATOM 0 HE2 MET A 25 19.573 -5.723 6.638 1.00 0.00 H new ATOM 0 HE3 MET A 25 18.722 -6.289 5.181 1.00 0.00 H new ATOM 378 N ILE A 26 14.074 -4.135 5.481 1.00 0.00 N ATOM 379 CA ILE A 26 13.075 -4.970 4.841 1.00 0.00 C ATOM 380 C ILE A 26 13.703 -5.797 3.728 1.00 0.00 C ATOM 381 O ILE A 26 14.186 -5.254 2.736 1.00 0.00 O ATOM 382 CB ILE A 26 11.923 -4.121 4.262 1.00 0.00 C ATOM 383 CG1 ILE A 26 11.501 -3.044 5.264 1.00 0.00 C ATOM 384 CG2 ILE A 26 10.736 -5.009 3.909 1.00 0.00 C ATOM 385 CD1 ILE A 26 10.421 -2.119 4.745 1.00 0.00 C ATOM 0 H ILE A 26 14.127 -3.185 5.115 1.00 0.00 H new ATOM 0 HA ILE A 26 12.669 -5.636 5.602 1.00 0.00 H new ATOM 0 HB ILE A 26 12.274 -3.633 3.353 1.00 0.00 H new ATOM 0 HG12 ILE A 26 11.147 -3.527 6.175 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.374 -2.451 5.536 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.932 -4.396 3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.041 -5.747 3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.385 -5.520 4.805 1.00 0.00 H new ATOM 0 HD11 ILE A 26 10.174 -1.383 5.510 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.778 -1.608 3.851 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.532 -2.700 4.500 1.00 0.00 H new ATOM 397 N MET A 27 13.704 -7.112 3.902 1.00 0.00 N ATOM 398 CA MET A 27 14.241 -8.019 2.894 1.00 0.00 C ATOM 399 C MET A 27 13.216 -8.245 1.791 1.00 0.00 C ATOM 400 O MET A 27 13.503 -8.866 0.770 1.00 0.00 O ATOM 401 CB MET A 27 14.629 -9.358 3.529 1.00 0.00 C ATOM 402 CG MET A 27 15.779 -9.260 4.521 1.00 0.00 C ATOM 403 SD MET A 27 17.329 -8.751 3.753 1.00 0.00 S ATOM 404 CE MET A 27 17.609 -10.108 2.614 1.00 0.00 C ATOM 0 H MET A 27 13.338 -7.576 4.733 1.00 0.00 H new ATOM 0 HA MET A 27 15.133 -7.565 2.462 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.759 -9.774 4.037 1.00 0.00 H new ATOM 0 HB3 MET A 27 14.902 -10.058 2.739 1.00 0.00 H new ATOM 0 HG2 MET A 27 15.517 -8.548 5.304 1.00 0.00 H new ATOM 0 HG3 MET A 27 15.919 -10.227 5.003 1.00 0.00 H new ATOM 0 HE1 MET A 27 18.666 -10.375 2.619 1.00 0.00 H new ATOM 0 HE2 MET A 27 17.015 -10.969 2.921 1.00 0.00 H new ATOM 0 HE3 MET A 27 17.316 -9.805 1.609 1.00 0.00 H new ATOM 414 N THR A 28 12.015 -7.741 2.016 1.00 0.00 N ATOM 415 CA THR A 28 10.936 -7.865 1.055 1.00 0.00 C ATOM 416 C THR A 28 10.794 -6.581 0.238 1.00 0.00 C ATOM 417 O THR A 28 10.539 -5.511 0.789 1.00 0.00 O ATOM 418 CB THR A 28 9.610 -8.169 1.775 1.00 0.00 C ATOM 419 OG1 THR A 28 9.794 -9.254 2.698 1.00 0.00 O ATOM 420 CG2 THR A 28 8.519 -8.528 0.778 1.00 0.00 C ATOM 0 H THR A 28 11.762 -7.237 2.866 1.00 0.00 H new ATOM 0 HA THR A 28 11.174 -8.688 0.381 1.00 0.00 H new ATOM 0 HB THR A 28 9.303 -7.274 2.317 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.924 -9.652 2.913 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.593 -8.738 1.312 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.362 -7.694 0.094 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.819 -9.410 0.212 1.00 0.00 H new ATOM 428 N LYS A 29 10.982 -6.688 -1.071 1.00 0.00 N ATOM 429 CA LYS A 29 10.829 -5.545 -1.963 1.00 0.00 C ATOM 430 C LYS A 29 9.376 -5.083 -2.002 1.00 0.00 C ATOM 431 O LYS A 29 8.460 -5.894 -2.153 1.00 0.00 O ATOM 432 CB LYS A 29 11.323 -5.892 -3.371 1.00 0.00 C ATOM 433 CG LYS A 29 12.761 -5.466 -3.643 1.00 0.00 C ATOM 434 CD LYS A 29 13.731 -5.991 -2.595 1.00 0.00 C ATOM 435 CE LYS A 29 15.144 -5.494 -2.855 1.00 0.00 C ATOM 436 NZ LYS A 29 16.085 -5.876 -1.768 1.00 0.00 N ATOM 0 H LYS A 29 11.241 -7.556 -1.540 1.00 0.00 H new ATOM 0 HA LYS A 29 11.437 -4.726 -1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.239 -6.968 -3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.669 -5.417 -4.102 1.00 0.00 H new ATOM 0 HG2 LYS A 29 13.064 -5.826 -4.626 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.815 -4.378 -3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 29 13.407 -5.672 -1.604 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.720 -7.081 -2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.501 -5.900 -3.801 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.132 -4.409 -2.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.035 -5.516 -1.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.760 -5.468 -0.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.118 -6.912 -1.686 1.00 0.00 H new ATOM 450 N LEU A 30 9.180 -3.780 -1.872 1.00 0.00 N ATOM 451 CA LEU A 30 7.845 -3.206 -1.752 1.00 0.00 C ATOM 452 C LEU A 30 7.123 -3.187 -3.098 1.00 0.00 C ATOM 453 O LEU A 30 7.613 -2.609 -4.069 1.00 0.00 O ATOM 454 CB LEU A 30 7.937 -1.790 -1.182 1.00 0.00 C ATOM 455 CG LEU A 30 8.590 -1.690 0.200 1.00 0.00 C ATOM 456 CD1 LEU A 30 8.726 -0.236 0.618 1.00 0.00 C ATOM 457 CD2 LEU A 30 7.782 -2.466 1.231 1.00 0.00 C ATOM 0 H LEU A 30 9.934 -3.094 -1.847 1.00 0.00 H new ATOM 0 HA LEU A 30 7.267 -3.832 -1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.500 -1.170 -1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.932 -1.372 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 30 9.586 -2.129 0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.192 -0.182 1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.345 0.294 -0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.739 0.225 0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.261 -2.383 2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.774 -2.056 1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.732 -3.515 0.939 1.00 0.00 H new ATOM 469 N PRO A 31 5.950 -3.831 -3.165 1.00 0.00 N ATOM 470 CA PRO A 31 5.145 -3.898 -4.378 1.00 0.00 C ATOM 471 C PRO A 31 4.157 -2.735 -4.494 1.00 0.00 C ATOM 472 O PRO A 31 4.354 -1.673 -3.899 1.00 0.00 O ATOM 473 CB PRO A 31 4.403 -5.219 -4.194 1.00 0.00 C ATOM 474 CG PRO A 31 4.201 -5.341 -2.721 1.00 0.00 C ATOM 475 CD PRO A 31 5.318 -4.568 -2.057 1.00 0.00 C ATOM 0 HA PRO A 31 5.745 -3.836 -5.286 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.451 -5.215 -4.725 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.982 -6.056 -4.584 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.229 -4.941 -2.430 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.220 -6.387 -2.414 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.935 -3.890 -1.294 1.00 0.00 H new ATOM 0 HD3 PRO A 31 6.027 -5.234 -1.565 1.00 0.00 H new ATOM 483 N SER A 32 3.108 -2.936 -5.275 1.00 0.00 N ATOM 484 CA SER A 32 2.066 -1.941 -5.437 1.00 0.00 C ATOM 485 C SER A 32 0.742 -2.437 -4.848 1.00 0.00 C ATOM 486 O SER A 32 0.554 -3.640 -4.644 1.00 0.00 O ATOM 487 CB SER A 32 1.903 -1.608 -6.921 1.00 0.00 C ATOM 488 OG SER A 32 1.805 -2.792 -7.700 1.00 0.00 O ATOM 0 H SER A 32 2.957 -3.790 -5.811 1.00 0.00 H new ATOM 0 HA SER A 32 2.353 -1.039 -4.897 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.011 -0.999 -7.065 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.752 -1.015 -7.260 1.00 0.00 H new ATOM 0 HG SER A 32 1.700 -2.554 -8.645 1.00 0.00 H new ATOM 494 N VAL A 33 -0.161 -1.505 -4.573 1.00 0.00 N ATOM 495 CA VAL A 33 -1.473 -1.830 -4.031 1.00 0.00 C ATOM 496 C VAL A 33 -2.555 -1.506 -5.062 1.00 0.00 C ATOM 497 O VAL A 33 -2.476 -0.492 -5.760 1.00 0.00 O ATOM 498 CB VAL A 33 -1.744 -1.059 -2.713 1.00 0.00 C ATOM 499 CG1 VAL A 33 -1.735 0.441 -2.945 1.00 0.00 C ATOM 500 CG2 VAL A 33 -3.056 -1.493 -2.075 1.00 0.00 C ATOM 0 H VAL A 33 -0.006 -0.507 -4.719 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.494 -2.896 -3.806 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.937 -1.303 -2.022 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.928 0.956 -2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.762 0.744 -3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.509 0.702 -3.667 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.215 -0.933 -1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.878 -1.298 -2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.016 -2.559 -1.850 1.00 0.00 H new ATOM 510 N ARG A 34 -3.548 -2.375 -5.174 1.00 0.00 N ATOM 511 CA ARG A 34 -4.618 -2.181 -6.143 1.00 0.00 C ATOM 512 C ARG A 34 -5.930 -1.871 -5.443 1.00 0.00 C ATOM 513 O ARG A 34 -6.525 -2.736 -4.792 1.00 0.00 O ATOM 514 CB ARG A 34 -4.761 -3.410 -7.038 1.00 0.00 C ATOM 515 CG ARG A 34 -3.581 -3.599 -7.969 1.00 0.00 C ATOM 516 CD ARG A 34 -3.688 -4.888 -8.762 1.00 0.00 C ATOM 517 NE ARG A 34 -2.559 -5.044 -9.674 1.00 0.00 N ATOM 518 CZ ARG A 34 -1.435 -5.692 -9.365 1.00 0.00 C ATOM 519 NH1 ARG A 34 -1.300 -6.260 -8.171 1.00 0.00 N ATOM 520 NH2 ARG A 34 -0.447 -5.763 -10.247 1.00 0.00 N ATOM 0 H ARG A 34 -3.636 -3.219 -4.608 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.359 -1.328 -6.771 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.872 -4.297 -6.414 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.673 -3.320 -7.628 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.521 -2.754 -8.655 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.658 -3.605 -7.389 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.726 -5.736 -8.078 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.619 -4.893 -9.328 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.634 -4.632 -10.604 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.057 -6.201 -7.490 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.440 -6.755 -7.936 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.547 -5.322 -11.161 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.413 -6.258 -10.011 1.00 0.00 H new ATOM 534 N VAL A 35 -6.372 -0.633 -5.574 1.00 0.00 N ATOM 535 CA VAL A 35 -7.584 -0.182 -4.916 1.00 0.00 C ATOM 536 C VAL A 35 -8.645 0.234 -5.940 1.00 0.00 C ATOM 537 O VAL A 35 -8.479 1.215 -6.665 1.00 0.00 O ATOM 538 CB VAL A 35 -7.291 0.986 -3.935 1.00 0.00 C ATOM 539 CG1 VAL A 35 -6.435 0.503 -2.774 1.00 0.00 C ATOM 540 CG2 VAL A 35 -6.600 2.149 -4.638 1.00 0.00 C ATOM 0 H VAL A 35 -5.906 0.081 -6.134 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.974 -1.021 -4.339 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.248 1.341 -3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.239 1.334 -2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.961 -0.287 -2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.490 0.115 -3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.411 2.947 -3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.654 1.809 -5.060 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.240 2.523 -5.437 1.00 0.00 H new ATOM 550 N LYS A 36 -9.723 -0.535 -6.025 1.00 0.00 N ATOM 551 CA LYS A 36 -10.835 -0.165 -6.886 1.00 0.00 C ATOM 552 C LYS A 36 -11.601 0.965 -6.233 1.00 0.00 C ATOM 553 O LYS A 36 -11.997 0.860 -5.073 1.00 0.00 O ATOM 554 CB LYS A 36 -11.762 -1.357 -7.154 1.00 0.00 C ATOM 555 CG LYS A 36 -12.959 -1.010 -8.033 1.00 0.00 C ATOM 556 CD LYS A 36 -13.782 -2.235 -8.423 1.00 0.00 C ATOM 557 CE LYS A 36 -14.359 -2.960 -7.214 1.00 0.00 C ATOM 558 NZ LYS A 36 -13.532 -4.132 -6.817 1.00 0.00 N ATOM 0 H LYS A 36 -9.849 -1.409 -5.514 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.442 0.159 -7.850 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.189 -2.153 -7.631 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.121 -1.749 -6.203 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.598 -0.302 -7.506 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.608 -0.511 -8.936 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -14.595 -1.928 -9.080 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.156 -2.923 -8.991 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.430 -2.267 -6.376 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.372 -3.292 -7.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.693 -4.346 -5.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.798 -4.956 -7.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.526 -3.914 -6.968 1.00 0.00 H new ATOM 572 N THR A 37 -11.784 2.051 -6.957 1.00 0.00 N ATOM 573 CA THR A 37 -12.444 3.219 -6.410 1.00 0.00 C ATOM 574 C THR A 37 -13.630 3.628 -7.268 1.00 0.00 C ATOM 575 O THR A 37 -13.552 3.607 -8.492 1.00 0.00 O ATOM 576 CB THR A 37 -11.462 4.401 -6.288 1.00 0.00 C ATOM 577 OG1 THR A 37 -10.769 4.598 -7.528 1.00 0.00 O ATOM 578 CG2 THR A 37 -10.453 4.158 -5.173 1.00 0.00 C ATOM 0 H THR A 37 -11.484 2.149 -7.927 1.00 0.00 H new ATOM 0 HA THR A 37 -12.804 2.954 -5.416 1.00 0.00 H new ATOM 0 HB THR A 37 -12.038 5.295 -6.048 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.984 3.866 -8.143 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.772 5.006 -5.108 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.979 4.041 -4.225 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.885 3.252 -5.387 1.00 0.00 H new ATOM 586 N GLU A 38 -14.726 3.988 -6.618 1.00 0.00 N ATOM 587 CA GLU A 38 -15.920 4.423 -7.319 1.00 0.00 C ATOM 588 C GLU A 38 -15.944 5.940 -7.433 1.00 0.00 C ATOM 589 O GLU A 38 -15.661 6.652 -6.462 1.00 0.00 O ATOM 590 CB GLU A 38 -17.178 3.925 -6.607 1.00 0.00 C ATOM 591 CG GLU A 38 -17.415 2.431 -6.768 1.00 0.00 C ATOM 592 CD GLU A 38 -18.637 1.948 -6.015 1.00 0.00 C ATOM 593 OE1 GLU A 38 -19.735 2.491 -6.238 1.00 0.00 O ATOM 594 OE2 GLU A 38 -18.501 1.028 -5.182 1.00 0.00 O ATOM 0 H GLU A 38 -14.811 3.987 -5.602 1.00 0.00 H new ATOM 0 HA GLU A 38 -15.902 3.996 -8.322 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -17.102 4.161 -5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -18.042 4.466 -6.993 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -17.530 2.198 -7.827 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.538 1.888 -6.415 1.00 0.00 H new ATOM 601 N GLY A 39 -16.284 6.423 -8.617 1.00 0.00 N ATOM 602 CA GLY A 39 -16.286 7.846 -8.872 1.00 0.00 C ATOM 603 C GLY A 39 -15.289 8.227 -9.946 1.00 0.00 C ATOM 604 O GLY A 39 -14.758 7.360 -10.643 1.00 0.00 O ATOM 0 H GLY A 39 -16.561 5.848 -9.413 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -17.285 8.159 -9.176 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.051 8.380 -7.952 1.00 0.00 H new ATOM 608 N TYR A 40 -15.043 9.519 -10.086 1.00 0.00 N ATOM 609 CA TYR A 40 -14.095 10.018 -11.070 1.00 0.00 C ATOM 610 C TYR A 40 -13.158 11.041 -10.443 1.00 0.00 C ATOM 611 O TYR A 40 -13.576 11.869 -9.634 1.00 0.00 O ATOM 612 CB TYR A 40 -14.822 10.646 -12.262 1.00 0.00 C ATOM 613 CG TYR A 40 -15.404 9.641 -13.230 1.00 0.00 C ATOM 614 CD1 TYR A 40 -14.616 9.081 -14.226 1.00 0.00 C ATOM 615 CD2 TYR A 40 -16.738 9.256 -13.156 1.00 0.00 C ATOM 616 CE1 TYR A 40 -15.138 8.170 -15.122 1.00 0.00 C ATOM 617 CE2 TYR A 40 -17.267 8.343 -14.049 1.00 0.00 C ATOM 618 CZ TYR A 40 -16.462 7.803 -15.030 1.00 0.00 C ATOM 619 OH TYR A 40 -16.981 6.896 -15.927 1.00 0.00 O ATOM 0 H TYR A 40 -15.490 10.246 -9.527 1.00 0.00 H new ATOM 0 HA TYR A 40 -13.509 9.170 -11.425 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -15.625 11.283 -11.890 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -14.127 11.291 -12.799 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -13.576 9.363 -14.301 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -17.371 9.677 -12.389 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -14.510 7.747 -15.892 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -18.305 8.054 -13.979 1.00 0.00 H new ATOM 0 HH TYR A 40 -16.255 6.353 -16.300 1.00 0.00 H new ATOM 629 N ASN A 41 -11.892 10.970 -10.828 1.00 0.00 N ATOM 630 CA ASN A 41 -10.872 11.896 -10.347 1.00 0.00 C ATOM 631 C ASN A 41 -9.665 11.880 -11.288 1.00 0.00 C ATOM 632 O ASN A 41 -8.666 11.213 -11.034 1.00 0.00 O ATOM 633 CB ASN A 41 -10.443 11.592 -8.892 1.00 0.00 C ATOM 634 CG ASN A 41 -9.873 10.191 -8.659 1.00 0.00 C ATOM 635 OD1 ASN A 41 -8.953 10.018 -7.863 1.00 0.00 O ATOM 636 ND2 ASN A 41 -10.432 9.181 -9.311 1.00 0.00 N ATOM 0 H ASN A 41 -11.541 10.270 -11.482 1.00 0.00 H new ATOM 0 HA ASN A 41 -11.308 12.895 -10.342 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.696 12.326 -8.590 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.306 11.729 -8.240 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.100 8.229 -9.158 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.194 9.356 -9.966 1.00 0.00 H new ATOM 643 N PRO A 42 -9.762 12.604 -12.411 1.00 0.00 N ATOM 644 CA PRO A 42 -8.718 12.623 -13.437 1.00 0.00 C ATOM 645 C PRO A 42 -7.511 13.464 -13.028 1.00 0.00 C ATOM 646 O PRO A 42 -6.399 13.248 -13.512 1.00 0.00 O ATOM 647 CB PRO A 42 -9.413 13.248 -14.661 1.00 0.00 C ATOM 648 CG PRO A 42 -10.854 13.397 -14.285 1.00 0.00 C ATOM 649 CD PRO A 42 -10.897 13.450 -12.787 1.00 0.00 C ATOM 0 HA PRO A 42 -8.322 11.624 -13.621 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.973 14.214 -14.909 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.303 12.612 -15.539 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.277 14.304 -14.718 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.442 12.560 -14.661 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.787 14.468 -12.413 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.838 13.066 -12.394 1.00 0.00 H new ATOM 657 N SER A 43 -7.733 14.414 -12.131 1.00 0.00 N ATOM 658 CA SER A 43 -6.688 15.333 -11.708 1.00 0.00 C ATOM 659 C SER A 43 -5.827 14.736 -10.596 1.00 0.00 C ATOM 660 O SER A 43 -4.760 15.257 -10.276 1.00 0.00 O ATOM 661 CB SER A 43 -7.328 16.640 -11.253 1.00 0.00 C ATOM 662 OG SER A 43 -8.481 16.386 -10.464 1.00 0.00 O ATOM 0 H SER A 43 -8.635 14.568 -11.680 1.00 0.00 H new ATOM 0 HA SER A 43 -6.027 15.523 -12.554 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.608 17.222 -10.677 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.600 17.239 -12.122 1.00 0.00 H new ATOM 0 HG SER A 43 -8.877 17.236 -10.180 1.00 0.00 H new ATOM 668 N ILE A 44 -6.296 13.643 -10.013 1.00 0.00 N ATOM 669 CA ILE A 44 -5.556 12.964 -8.963 1.00 0.00 C ATOM 670 C ILE A 44 -4.894 11.714 -9.531 1.00 0.00 C ATOM 671 O ILE A 44 -5.573 10.756 -9.901 1.00 0.00 O ATOM 672 CB ILE A 44 -6.471 12.578 -7.782 1.00 0.00 C ATOM 673 CG1 ILE A 44 -7.214 13.811 -7.258 1.00 0.00 C ATOM 674 CG2 ILE A 44 -5.650 11.936 -6.674 1.00 0.00 C ATOM 675 CD1 ILE A 44 -8.202 13.502 -6.153 1.00 0.00 C ATOM 0 H ILE A 44 -7.187 13.208 -10.251 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.796 13.650 -8.588 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.210 11.856 -8.130 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.486 14.534 -6.891 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.744 14.284 -8.085 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.305 11.667 -5.845 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.161 11.040 -7.056 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.895 12.641 -6.326 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.689 14.423 -5.833 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.953 12.803 -6.521 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.676 13.057 -5.308 1.00 0.00 H new ATOM 687 N ASN A 45 -3.573 11.733 -9.620 1.00 0.00 N ATOM 688 CA ASN A 45 -2.842 10.650 -10.264 1.00 0.00 C ATOM 689 C ASN A 45 -2.350 9.623 -9.254 1.00 0.00 C ATOM 690 O ASN A 45 -2.077 9.948 -8.098 1.00 0.00 O ATOM 691 CB ASN A 45 -1.656 11.201 -11.057 1.00 0.00 C ATOM 692 CG ASN A 45 -2.086 12.138 -12.169 1.00 0.00 C ATOM 693 OD1 ASN A 45 -2.337 11.708 -13.294 1.00 0.00 O ATOM 694 ND2 ASN A 45 -2.177 13.423 -11.863 1.00 0.00 N ATOM 0 H ASN A 45 -2.986 12.483 -9.256 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.534 10.153 -10.944 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.985 11.730 -10.380 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.091 10.372 -11.483 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.464 14.097 -12.573 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.960 13.739 -10.918 1.00 0.00 H new ATOM 701 N VAL A 46 -2.213 8.383 -9.711 1.00 0.00 N ATOM 702 CA VAL A 46 -1.743 7.289 -8.863 1.00 0.00 C ATOM 703 C VAL A 46 -0.267 7.457 -8.505 1.00 0.00 C ATOM 704 O VAL A 46 0.245 6.783 -7.620 1.00 0.00 O ATOM 705 CB VAL A 46 -1.943 5.917 -9.540 1.00 0.00 C ATOM 706 CG1 VAL A 46 -3.408 5.689 -9.866 1.00 0.00 C ATOM 707 CG2 VAL A 46 -1.089 5.793 -10.791 1.00 0.00 C ATOM 0 H VAL A 46 -2.422 8.107 -10.671 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.341 7.325 -7.952 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.623 5.147 -8.838 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.528 4.716 -10.343 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.994 5.717 -8.947 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.756 6.470 -10.542 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.251 4.816 -11.247 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.366 6.574 -11.499 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.037 5.900 -10.526 1.00 0.00 H new ATOM 717 N ASN A 47 0.409 8.356 -9.207 1.00 0.00 N ATOM 718 CA ASN A 47 1.810 8.649 -8.924 1.00 0.00 C ATOM 719 C ASN A 47 1.903 9.692 -7.824 1.00 0.00 C ATOM 720 O ASN A 47 2.980 9.974 -7.302 1.00 0.00 O ATOM 721 CB ASN A 47 2.522 9.155 -10.180 1.00 0.00 C ATOM 722 CG ASN A 47 2.494 8.157 -11.322 1.00 0.00 C ATOM 723 OD1 ASN A 47 2.474 8.545 -12.491 1.00 0.00 O ATOM 724 ND2 ASN A 47 2.492 6.872 -11.001 1.00 0.00 N ATOM 0 H ASN A 47 0.012 8.895 -9.976 1.00 0.00 H new ATOM 0 HA ASN A 47 2.298 7.731 -8.597 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.055 10.084 -10.506 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.558 9.388 -9.934 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.473 6.163 -11.734 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.509 6.591 -10.021 1.00 0.00 H new ATOM 731 N GLU A 48 0.758 10.266 -7.487 1.00 0.00 N ATOM 732 CA GLU A 48 0.681 11.282 -6.453 1.00 0.00 C ATOM 733 C GLU A 48 0.069 10.687 -5.191 1.00 0.00 C ATOM 734 O GLU A 48 0.325 11.150 -4.083 1.00 0.00 O ATOM 735 CB GLU A 48 -0.143 12.465 -6.957 1.00 0.00 C ATOM 736 CG GLU A 48 0.341 12.988 -8.299 1.00 0.00 C ATOM 737 CD GLU A 48 -0.536 14.082 -8.861 1.00 0.00 C ATOM 738 OE1 GLU A 48 -1.713 13.805 -9.170 1.00 0.00 O ATOM 739 OE2 GLU A 48 -0.046 15.217 -9.024 1.00 0.00 O ATOM 0 H GLU A 48 -0.138 10.041 -7.920 1.00 0.00 H new ATOM 0 HA GLU A 48 1.683 11.638 -6.212 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.187 12.164 -7.044 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.103 13.269 -6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.357 13.366 -8.190 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.383 12.163 -9.010 1.00 0.00 H new ATOM 746 N LEU A 49 -0.739 9.653 -5.373 1.00 0.00 N ATOM 747 CA LEU A 49 -1.319 8.919 -4.257 1.00 0.00 C ATOM 748 C LEU A 49 -0.382 7.798 -3.834 1.00 0.00 C ATOM 749 O LEU A 49 0.116 7.048 -4.672 1.00 0.00 O ATOM 750 CB LEU A 49 -2.673 8.330 -4.651 1.00 0.00 C ATOM 751 CG LEU A 49 -3.747 9.343 -5.034 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.973 8.621 -5.565 1.00 0.00 C ATOM 753 CD2 LEU A 49 -4.114 10.212 -3.837 1.00 0.00 C ATOM 0 H LEU A 49 -1.010 9.301 -6.291 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.462 9.609 -3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.523 7.651 -5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.044 7.731 -3.819 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.355 9.992 -5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.736 9.351 -5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.699 8.038 -6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.365 7.956 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.882 10.929 -4.129 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.493 9.582 -3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.230 10.748 -3.492 1.00 0.00 H new ATOM 765 N PHE A 50 -0.134 7.685 -2.541 1.00 0.00 N ATOM 766 CA PHE A 50 0.773 6.667 -2.043 1.00 0.00 C ATOM 767 C PHE A 50 0.117 5.796 -0.984 1.00 0.00 C ATOM 768 O PHE A 50 -0.833 6.203 -0.309 1.00 0.00 O ATOM 769 CB PHE A 50 2.044 7.304 -1.476 1.00 0.00 C ATOM 770 CG PHE A 50 2.934 7.913 -2.522 1.00 0.00 C ATOM 771 CD1 PHE A 50 3.855 7.133 -3.201 1.00 0.00 C ATOM 772 CD2 PHE A 50 2.845 9.261 -2.828 1.00 0.00 C ATOM 773 CE1 PHE A 50 4.675 7.688 -4.164 1.00 0.00 C ATOM 774 CE2 PHE A 50 3.663 9.820 -3.791 1.00 0.00 C ATOM 775 CZ PHE A 50 4.577 9.033 -4.462 1.00 0.00 C ATOM 0 H PHE A 50 -0.544 8.281 -1.822 1.00 0.00 H new ATOM 0 HA PHE A 50 1.037 6.031 -2.888 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.764 8.074 -0.757 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.606 6.547 -0.929 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.933 6.080 -2.975 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.129 9.881 -2.309 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.393 7.070 -4.684 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.587 10.873 -4.019 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.214 9.468 -5.218 1.00 0.00 H new ATOM 785 N ALA A 51 0.623 4.580 -0.871 1.00 0.00 N ATOM 786 CA ALA A 51 0.246 3.680 0.195 1.00 0.00 C ATOM 787 C ALA A 51 1.492 3.314 0.979 1.00 0.00 C ATOM 788 O ALA A 51 2.533 3.025 0.395 1.00 0.00 O ATOM 789 CB ALA A 51 -0.429 2.437 -0.358 1.00 0.00 C ATOM 0 H ALA A 51 1.308 4.192 -1.520 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.471 4.171 0.853 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.703 1.776 0.464 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.326 2.724 -0.907 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.257 1.918 -1.028 1.00 0.00 H new ATOM 795 N TYR A 52 1.402 3.340 2.288 1.00 0.00 N ATOM 796 CA TYR A 52 2.573 3.128 3.114 1.00 0.00 C ATOM 797 C TYR A 52 2.322 2.069 4.168 1.00 0.00 C ATOM 798 O TYR A 52 1.181 1.755 4.499 1.00 0.00 O ATOM 799 CB TYR A 52 3.012 4.445 3.771 1.00 0.00 C ATOM 800 CG TYR A 52 1.897 5.228 4.434 1.00 0.00 C ATOM 801 CD1 TYR A 52 1.112 6.111 3.702 1.00 0.00 C ATOM 802 CD2 TYR A 52 1.639 5.092 5.792 1.00 0.00 C ATOM 803 CE1 TYR A 52 0.101 6.834 4.304 1.00 0.00 C ATOM 804 CE2 TYR A 52 0.629 5.813 6.401 1.00 0.00 C ATOM 805 CZ TYR A 52 -0.138 6.680 5.652 1.00 0.00 C ATOM 806 OH TYR A 52 -1.144 7.400 6.255 1.00 0.00 O ATOM 0 H TYR A 52 0.537 3.504 2.804 1.00 0.00 H new ATOM 0 HA TYR A 52 3.376 2.772 2.468 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.776 4.225 4.517 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.478 5.075 3.013 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.296 6.234 2.645 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.237 4.412 6.381 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.499 7.517 3.721 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.442 5.698 7.458 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.182 7.174 7.208 1.00 0.00 H new ATOM 816 N VAL A 53 3.400 1.531 4.700 1.00 0.00 N ATOM 817 CA VAL A 53 3.314 0.585 5.792 1.00 0.00 C ATOM 818 C VAL A 53 3.896 1.221 7.039 1.00 0.00 C ATOM 819 O VAL A 53 5.060 1.623 7.068 1.00 0.00 O ATOM 820 CB VAL A 53 4.035 -0.746 5.485 1.00 0.00 C ATOM 821 CG1 VAL A 53 3.221 -1.579 4.506 1.00 0.00 C ATOM 822 CG2 VAL A 53 5.435 -0.501 4.933 1.00 0.00 C ATOM 0 H VAL A 53 4.351 1.734 4.391 1.00 0.00 H new ATOM 0 HA VAL A 53 2.263 0.341 5.943 1.00 0.00 H new ATOM 0 HB VAL A 53 4.132 -1.297 6.421 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.744 -2.513 4.301 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.244 -1.797 4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.091 -1.024 3.577 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.917 -1.457 4.727 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.367 0.077 4.012 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.023 0.052 5.666 1.00 0.00 H new ATOM 832 N ASP A 54 3.056 1.360 8.045 1.00 0.00 N ATOM 833 CA ASP A 54 3.438 2.033 9.271 1.00 0.00 C ATOM 834 C ASP A 54 4.279 1.119 10.139 1.00 0.00 C ATOM 835 O ASP A 54 3.771 0.183 10.757 1.00 0.00 O ATOM 836 CB ASP A 54 2.197 2.501 10.029 1.00 0.00 C ATOM 837 CG ASP A 54 2.523 3.100 11.382 1.00 0.00 C ATOM 838 OD1 ASP A 54 3.606 3.699 11.531 1.00 0.00 O ATOM 839 OD2 ASP A 54 1.676 2.992 12.293 1.00 0.00 O ATOM 0 H ASP A 54 2.097 1.013 8.037 1.00 0.00 H new ATOM 0 HA ASP A 54 4.036 2.907 9.014 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.668 3.240 9.428 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.521 1.657 10.164 1.00 0.00 H new ATOM 844 N LEU A 55 5.568 1.392 10.165 1.00 0.00 N ATOM 845 CA LEU A 55 6.501 0.579 10.918 1.00 0.00 C ATOM 846 C LEU A 55 6.929 1.291 12.195 1.00 0.00 C ATOM 847 O LEU A 55 8.074 1.172 12.628 1.00 0.00 O ATOM 848 CB LEU A 55 7.720 0.237 10.055 1.00 0.00 C ATOM 849 CG LEU A 55 7.409 -0.553 8.777 1.00 0.00 C ATOM 850 CD1 LEU A 55 8.690 -0.942 8.060 1.00 0.00 C ATOM 851 CD2 LEU A 55 6.586 -1.789 9.097 1.00 0.00 C ATOM 0 H LEU A 55 5.995 2.175 9.670 1.00 0.00 H new ATOM 0 HA LEU A 55 6.003 -0.349 11.200 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.222 1.164 9.778 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.423 -0.338 10.658 1.00 0.00 H new ATOM 0 HG LEU A 55 6.826 0.089 8.116 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.446 -1.501 7.157 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.244 -0.043 7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.301 -1.562 8.717 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.376 -2.335 8.177 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.143 -2.430 9.780 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.647 -1.490 9.563 1.00 0.00 H new ATOM 863 N SER A 56 6.001 2.028 12.798 1.00 0.00 N ATOM 864 CA SER A 56 6.248 2.637 14.098 1.00 0.00 C ATOM 865 C SER A 56 6.544 1.547 15.124 1.00 0.00 C ATOM 866 O SER A 56 7.404 1.704 15.994 1.00 0.00 O ATOM 867 CB SER A 56 5.044 3.474 14.543 1.00 0.00 C ATOM 868 OG SER A 56 4.798 4.536 13.638 1.00 0.00 O ATOM 0 H SER A 56 5.077 2.216 12.409 1.00 0.00 H new ATOM 0 HA SER A 56 7.109 3.300 14.018 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.161 2.839 14.611 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.225 3.876 15.540 1.00 0.00 H new ATOM 0 HG SER A 56 4.679 4.175 12.735 1.00 0.00 H new ATOM 874 N GLY A 57 5.824 0.443 15.006 1.00 0.00 N ATOM 875 CA GLY A 57 6.100 -0.724 15.812 1.00 0.00 C ATOM 876 C GLY A 57 6.840 -1.778 15.017 1.00 0.00 C ATOM 877 O GLY A 57 6.410 -2.928 14.943 1.00 0.00 O ATOM 0 H GLY A 57 5.044 0.335 14.358 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.693 -0.437 16.680 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.165 -1.139 16.188 1.00 0.00 H new ATOM 881 N SER A 58 7.947 -1.373 14.410 1.00 0.00 N ATOM 882 CA SER A 58 8.738 -2.258 13.570 1.00 0.00 C ATOM 883 C SER A 58 9.521 -3.256 14.418 1.00 0.00 C ATOM 884 O SER A 58 10.491 -2.896 15.092 1.00 0.00 O ATOM 885 CB SER A 58 9.694 -1.433 12.704 1.00 0.00 C ATOM 886 OG SER A 58 10.367 -2.240 11.755 1.00 0.00 O ATOM 0 H SER A 58 8.320 -0.427 14.486 1.00 0.00 H new ATOM 0 HA SER A 58 8.063 -2.819 12.924 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.136 -0.652 12.188 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.424 -0.934 13.341 1.00 0.00 H new ATOM 0 HG SER A 58 11.199 -1.799 11.482 1.00 0.00 H new ATOM 892 N GLU A 59 9.082 -4.504 14.397 1.00 0.00 N ATOM 893 CA GLU A 59 9.760 -5.561 15.126 1.00 0.00 C ATOM 894 C GLU A 59 10.548 -6.442 14.166 1.00 0.00 C ATOM 895 O GLU A 59 9.994 -6.953 13.189 1.00 0.00 O ATOM 896 CB GLU A 59 8.752 -6.408 15.903 1.00 0.00 C ATOM 897 CG GLU A 59 8.008 -5.634 16.975 1.00 0.00 C ATOM 898 CD GLU A 59 7.043 -6.503 17.750 1.00 0.00 C ATOM 899 OE1 GLU A 59 7.480 -7.164 18.716 1.00 0.00 O ATOM 900 OE2 GLU A 59 5.846 -6.529 17.398 1.00 0.00 O ATOM 0 H GLU A 59 8.257 -4.809 13.881 1.00 0.00 H new ATOM 0 HA GLU A 59 10.450 -5.102 15.834 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.030 -6.831 15.204 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.274 -7.245 16.367 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.727 -5.191 17.664 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.461 -4.812 16.512 1.00 0.00 H new ATOM 907 N PRO A 60 11.852 -6.624 14.431 1.00 0.00 N ATOM 908 CA PRO A 60 12.728 -7.456 13.597 1.00 0.00 C ATOM 909 C PRO A 60 12.186 -8.872 13.438 1.00 0.00 C ATOM 910 O PRO A 60 11.645 -9.448 14.384 1.00 0.00 O ATOM 911 CB PRO A 60 14.051 -7.472 14.366 1.00 0.00 C ATOM 912 CG PRO A 60 14.017 -6.245 15.210 1.00 0.00 C ATOM 913 CD PRO A 60 12.574 -6.031 15.569 1.00 0.00 C ATOM 0 HA PRO A 60 12.820 -7.065 12.584 1.00 0.00 H new ATOM 0 HB2 PRO A 60 14.142 -8.370 14.977 1.00 0.00 H new ATOM 0 HB3 PRO A 60 14.903 -7.461 13.687 1.00 0.00 H new ATOM 0 HG2 PRO A 60 14.628 -6.369 16.104 1.00 0.00 H new ATOM 0 HG3 PRO A 60 14.416 -5.387 14.668 1.00 0.00 H new ATOM 0 HD2 PRO A 60 12.316 -6.520 16.508 1.00 0.00 H new ATOM 0 HD3 PRO A 60 12.341 -4.973 15.686 1.00 0.00 H new ATOM 921 N GLY A 61 12.330 -9.423 12.245 1.00 0.00 N ATOM 922 CA GLY A 61 11.789 -10.730 11.957 1.00 0.00 C ATOM 923 C GLY A 61 10.672 -10.654 10.939 1.00 0.00 C ATOM 924 O GLY A 61 10.276 -9.562 10.525 1.00 0.00 O ATOM 0 H GLY A 61 12.817 -8.982 11.465 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.581 -11.379 11.582 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.415 -11.181 12.876 1.00 0.00 H new ATOM 928 N GLU A 62 10.166 -11.802 10.527 1.00 0.00 N ATOM 929 CA GLU A 62 9.079 -11.854 9.563 1.00 0.00 C ATOM 930 C GLU A 62 7.751 -11.600 10.268 1.00 0.00 C ATOM 931 O GLU A 62 7.268 -12.443 11.025 1.00 0.00 O ATOM 932 CB GLU A 62 9.063 -13.212 8.862 1.00 0.00 C ATOM 933 CG GLU A 62 8.077 -13.297 7.710 1.00 0.00 C ATOM 934 CD GLU A 62 8.045 -14.669 7.075 1.00 0.00 C ATOM 935 OE1 GLU A 62 8.822 -14.915 6.127 1.00 0.00 O ATOM 936 OE2 GLU A 62 7.245 -15.511 7.520 1.00 0.00 O ATOM 0 H GLU A 62 10.491 -12.715 10.846 1.00 0.00 H new ATOM 0 HA GLU A 62 9.230 -11.080 8.811 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.064 -13.429 8.488 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.821 -13.984 9.592 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.080 -13.044 8.070 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.341 -12.557 6.955 1.00 0.00 H new ATOM 943 N HIS A 63 7.178 -10.429 10.037 1.00 0.00 N ATOM 944 CA HIS A 63 5.945 -10.037 10.713 1.00 0.00 C ATOM 945 C HIS A 63 4.949 -9.447 9.729 1.00 0.00 C ATOM 946 O HIS A 63 5.326 -8.955 8.667 1.00 0.00 O ATOM 947 CB HIS A 63 6.235 -9.028 11.830 1.00 0.00 C ATOM 948 CG HIS A 63 6.975 -9.616 12.990 1.00 0.00 C ATOM 949 ND1 HIS A 63 8.170 -9.117 13.459 1.00 0.00 N ATOM 950 CD2 HIS A 63 6.677 -10.676 13.776 1.00 0.00 C ATOM 951 CE1 HIS A 63 8.576 -9.849 14.480 1.00 0.00 C ATOM 952 NE2 HIS A 63 7.688 -10.802 14.696 1.00 0.00 N ATOM 0 H HIS A 63 7.544 -9.732 9.388 1.00 0.00 H new ATOM 0 HA HIS A 63 5.509 -10.934 11.153 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.816 -8.202 11.420 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.293 -8.610 12.185 1.00 0.00 H new ATOM 0 HD1 HIS A 63 8.663 -8.310 13.078 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.804 -11.307 13.695 1.00 0.00 H new ATOM 0 HE1 HIS A 63 9.484 -9.694 15.045 1.00 0.00 H new ATOM 961 N ASP A 64 3.676 -9.497 10.090 1.00 0.00 N ATOM 962 CA ASP A 64 2.618 -8.979 9.235 1.00 0.00 C ATOM 963 C ASP A 64 2.265 -7.557 9.640 1.00 0.00 C ATOM 964 O ASP A 64 1.963 -7.293 10.803 1.00 0.00 O ATOM 965 CB ASP A 64 1.369 -9.862 9.313 1.00 0.00 C ATOM 966 CG ASP A 64 1.603 -11.263 8.790 1.00 0.00 C ATOM 967 OD1 ASP A 64 1.501 -11.470 7.566 1.00 0.00 O ATOM 968 OD2 ASP A 64 1.885 -12.169 9.608 1.00 0.00 O ATOM 0 H ASP A 64 3.349 -9.892 10.972 1.00 0.00 H new ATOM 0 HA ASP A 64 2.982 -8.982 8.208 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.034 -9.918 10.349 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.565 -9.396 8.743 1.00 0.00 H new ATOM 973 N TYR A 65 2.309 -6.643 8.685 1.00 0.00 N ATOM 974 CA TYR A 65 2.020 -5.245 8.961 1.00 0.00 C ATOM 975 C TYR A 65 0.863 -4.757 8.104 1.00 0.00 C ATOM 976 O TYR A 65 0.522 -5.374 7.092 1.00 0.00 O ATOM 977 CB TYR A 65 3.263 -4.384 8.731 1.00 0.00 C ATOM 978 CG TYR A 65 4.396 -4.709 9.677 1.00 0.00 C ATOM 979 CD1 TYR A 65 4.404 -4.208 10.974 1.00 0.00 C ATOM 980 CD2 TYR A 65 5.447 -5.525 9.280 1.00 0.00 C ATOM 981 CE1 TYR A 65 5.431 -4.512 11.847 1.00 0.00 C ATOM 982 CE2 TYR A 65 6.475 -5.834 10.150 1.00 0.00 C ATOM 983 CZ TYR A 65 6.462 -5.325 11.431 1.00 0.00 C ATOM 984 OH TYR A 65 7.481 -5.636 12.301 1.00 0.00 O ATOM 0 H TYR A 65 2.542 -6.843 7.712 1.00 0.00 H new ATOM 0 HA TYR A 65 1.730 -5.155 10.008 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.605 -4.518 7.705 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.995 -3.333 8.843 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.596 -3.572 11.304 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.461 -5.924 8.277 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.425 -4.114 12.851 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.285 -6.471 9.828 1.00 0.00 H new ATOM 0 HH TYR A 65 7.116 -6.112 13.076 1.00 0.00 H new ATOM 994 N GLU A 66 0.266 -3.648 8.516 1.00 0.00 N ATOM 995 CA GLU A 66 -0.908 -3.115 7.844 1.00 0.00 C ATOM 996 C GLU A 66 -0.515 -2.075 6.801 1.00 0.00 C ATOM 997 O GLU A 66 0.360 -1.238 7.040 1.00 0.00 O ATOM 998 CB GLU A 66 -1.859 -2.483 8.864 1.00 0.00 C ATOM 999 CG GLU A 66 -3.172 -2.008 8.262 1.00 0.00 C ATOM 1000 CD GLU A 66 -3.987 -1.176 9.230 1.00 0.00 C ATOM 1001 OE1 GLU A 66 -4.481 -1.732 10.232 1.00 0.00 O ATOM 1002 OE2 GLU A 66 -4.145 0.037 8.988 1.00 0.00 O ATOM 0 H GLU A 66 0.578 -3.098 9.316 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.411 -3.940 7.341 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.071 -3.209 9.649 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.360 -1.638 9.338 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.966 -1.421 7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.758 -2.872 7.948 1.00 0.00 H new ATOM 1009 N VAL A 67 -1.167 -2.139 5.652 1.00 0.00 N ATOM 1010 CA VAL A 67 -0.981 -1.151 4.604 1.00 0.00 C ATOM 1011 C VAL A 67 -1.945 0.013 4.808 1.00 0.00 C ATOM 1012 O VAL A 67 -3.162 -0.172 4.852 1.00 0.00 O ATOM 1013 CB VAL A 67 -1.204 -1.761 3.203 1.00 0.00 C ATOM 1014 CG1 VAL A 67 -1.033 -0.708 2.117 1.00 0.00 C ATOM 1015 CG2 VAL A 67 -0.254 -2.928 2.972 1.00 0.00 C ATOM 0 H VAL A 67 -1.836 -2.873 5.421 1.00 0.00 H new ATOM 0 HA VAL A 67 0.048 -0.796 4.663 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.227 -2.133 3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.195 -1.163 1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.757 0.092 2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.024 -0.298 2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.425 -3.346 1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.776 -2.579 3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.432 -3.696 3.725 1.00 0.00 H new ATOM 1025 N LYS A 68 -1.394 1.205 4.952 1.00 0.00 N ATOM 1026 CA LYS A 68 -2.193 2.404 5.127 1.00 0.00 C ATOM 1027 C LYS A 68 -2.200 3.217 3.841 1.00 0.00 C ATOM 1028 O LYS A 68 -1.146 3.531 3.289 1.00 0.00 O ATOM 1029 CB LYS A 68 -1.644 3.246 6.278 1.00 0.00 C ATOM 1030 CG LYS A 68 -1.754 2.574 7.636 1.00 0.00 C ATOM 1031 CD LYS A 68 -1.087 3.408 8.715 1.00 0.00 C ATOM 1032 CE LYS A 68 -1.363 2.852 10.105 1.00 0.00 C ATOM 1033 NZ LYS A 68 -0.706 3.661 11.167 1.00 0.00 N ATOM 0 H LYS A 68 -0.387 1.369 4.951 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.215 2.111 5.367 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.597 3.476 6.080 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.179 4.195 6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.804 2.423 7.886 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.291 1.588 7.596 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.011 3.436 8.541 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.446 4.435 8.656 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.439 2.829 10.280 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.009 1.823 10.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.006 3.081 11.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.244 4.488 10.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.420 3.981 11.852 1.00 0.00 H new ATOM 1047 N VAL A 69 -3.386 3.549 3.369 1.00 0.00 N ATOM 1048 CA VAL A 69 -3.533 4.273 2.116 1.00 0.00 C ATOM 1049 C VAL A 69 -3.991 5.702 2.386 1.00 0.00 C ATOM 1050 O VAL A 69 -4.836 5.933 3.254 1.00 0.00 O ATOM 1051 CB VAL A 69 -4.548 3.569 1.186 1.00 0.00 C ATOM 1052 CG1 VAL A 69 -4.651 4.277 -0.157 1.00 0.00 C ATOM 1053 CG2 VAL A 69 -4.169 2.107 0.992 1.00 0.00 C ATOM 0 H VAL A 69 -4.266 3.329 3.835 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.562 4.291 1.620 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.527 3.615 1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.372 3.758 -0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.978 5.305 -0.002 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.676 4.276 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.894 1.627 0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.177 2.045 0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.164 1.601 1.958 1.00 0.00 H new ATOM 1063 N GLU A 70 -3.421 6.660 1.663 1.00 0.00 N ATOM 1064 CA GLU A 70 -3.814 8.056 1.816 1.00 0.00 C ATOM 1065 C GLU A 70 -5.235 8.267 1.294 1.00 0.00 C ATOM 1066 O GLU A 70 -5.622 7.689 0.276 1.00 0.00 O ATOM 1067 CB GLU A 70 -2.834 8.979 1.088 1.00 0.00 C ATOM 1068 CG GLU A 70 -1.403 8.849 1.579 1.00 0.00 C ATOM 1069 CD GLU A 70 -0.513 9.960 1.066 1.00 0.00 C ATOM 1070 OE1 GLU A 70 -0.044 9.873 -0.087 1.00 0.00 O ATOM 1071 OE2 GLU A 70 -0.293 10.938 1.811 1.00 0.00 O ATOM 0 H GLU A 70 -2.690 6.497 0.970 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.791 8.305 2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.865 8.760 0.021 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.160 10.012 1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.394 8.854 2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.999 7.888 1.262 1.00 0.00 H new ATOM 1078 N PRO A 71 -6.039 9.074 2.003 1.00 0.00 N ATOM 1079 CA PRO A 71 -7.434 9.344 1.632 1.00 0.00 C ATOM 1080 C PRO A 71 -7.553 10.104 0.316 1.00 0.00 C ATOM 1081 O PRO A 71 -6.665 10.879 -0.050 1.00 0.00 O ATOM 1082 CB PRO A 71 -7.968 10.200 2.788 1.00 0.00 C ATOM 1083 CG PRO A 71 -6.985 10.023 3.895 1.00 0.00 C ATOM 1084 CD PRO A 71 -5.661 9.783 3.233 1.00 0.00 C ATOM 0 HA PRO A 71 -7.990 8.419 1.481 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.049 11.247 2.497 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.964 9.876 3.090 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.949 10.907 4.531 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.261 9.183 4.532 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.140 10.716 3.019 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.998 9.185 3.858 1.00 0.00 H new ATOM 1092 N ILE A 72 -8.653 9.877 -0.390 1.00 0.00 N ATOM 1093 CA ILE A 72 -8.897 10.526 -1.669 1.00 0.00 C ATOM 1094 C ILE A 72 -10.210 11.302 -1.604 1.00 0.00 C ATOM 1095 O ILE A 72 -11.271 10.717 -1.376 1.00 0.00 O ATOM 1096 CB ILE A 72 -8.963 9.502 -2.823 1.00 0.00 C ATOM 1097 CG1 ILE A 72 -7.855 8.452 -2.679 1.00 0.00 C ATOM 1098 CG2 ILE A 72 -8.839 10.216 -4.164 1.00 0.00 C ATOM 1099 CD1 ILE A 72 -7.942 7.338 -3.700 1.00 0.00 C ATOM 0 H ILE A 72 -9.395 9.243 -0.094 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.067 11.204 -1.866 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.926 8.994 -2.779 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.886 8.943 -2.770 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.901 8.022 -1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.887 9.485 -4.971 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.655 10.930 -4.273 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.886 10.744 -4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.127 6.632 -3.538 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.896 6.822 -3.595 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.865 7.757 -4.703 1.00 0.00 H new ATOM 1111 N PRO A 73 -10.150 12.631 -1.787 1.00 0.00 N ATOM 1112 CA PRO A 73 -11.316 13.519 -1.648 1.00 0.00 C ATOM 1113 C PRO A 73 -12.485 13.137 -2.558 1.00 0.00 C ATOM 1114 O PRO A 73 -12.374 13.185 -3.784 1.00 0.00 O ATOM 1115 CB PRO A 73 -10.770 14.897 -2.036 1.00 0.00 C ATOM 1116 CG PRO A 73 -9.299 14.800 -1.823 1.00 0.00 C ATOM 1117 CD PRO A 73 -8.932 13.380 -2.143 1.00 0.00 C ATOM 0 HA PRO A 73 -11.727 13.469 -0.640 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.004 15.137 -3.073 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.207 15.683 -1.420 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.764 15.497 -2.468 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.035 15.050 -0.795 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.677 13.257 -3.196 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.070 13.046 -1.565 1.00 0.00 H new ATOM 1125 N ASN A 74 -13.592 12.733 -1.926 1.00 0.00 N ATOM 1126 CA ASN A 74 -14.857 12.435 -2.615 1.00 0.00 C ATOM 1127 C ASN A 74 -14.780 11.156 -3.438 1.00 0.00 C ATOM 1128 O ASN A 74 -15.684 10.859 -4.221 1.00 0.00 O ATOM 1129 CB ASN A 74 -15.298 13.595 -3.513 1.00 0.00 C ATOM 1130 CG ASN A 74 -15.676 14.831 -2.727 1.00 0.00 C ATOM 1131 OD1 ASN A 74 -14.846 15.702 -2.479 1.00 0.00 O ATOM 1132 ND2 ASN A 74 -16.933 14.916 -2.323 1.00 0.00 N ATOM 0 H ASN A 74 -13.638 12.602 -0.915 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.600 12.292 -1.830 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.492 13.841 -4.204 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -16.149 13.279 -4.116 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -17.242 15.726 -1.786 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -17.593 14.172 -2.549 1.00 0.00 H new ATOM 1139 N ILE A 75 -13.723 10.388 -3.247 1.00 0.00 N ATOM 1140 CA ILE A 75 -13.557 9.148 -3.984 1.00 0.00 C ATOM 1141 C ILE A 75 -13.782 7.951 -3.070 1.00 0.00 C ATOM 1142 O ILE A 75 -13.107 7.792 -2.050 1.00 0.00 O ATOM 1143 CB ILE A 75 -12.164 9.066 -4.646 1.00 0.00 C ATOM 1144 CG1 ILE A 75 -12.010 10.191 -5.673 1.00 0.00 C ATOM 1145 CG2 ILE A 75 -11.951 7.710 -5.303 1.00 0.00 C ATOM 1146 CD1 ILE A 75 -13.085 10.193 -6.740 1.00 0.00 C ATOM 0 H ILE A 75 -12.970 10.599 -2.592 1.00 0.00 H new ATOM 0 HA ILE A 75 -14.304 9.131 -4.777 1.00 0.00 H new ATOM 0 HB ILE A 75 -11.405 9.184 -3.873 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -12.024 11.149 -5.154 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -11.035 10.102 -6.152 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.963 7.679 -5.761 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -12.027 6.925 -4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -12.711 7.553 -6.068 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -12.910 11.017 -7.431 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -13.058 9.250 -7.286 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -14.062 10.313 -6.272 1.00 0.00 H new ATOM 1158 N LYS A 76 -14.741 7.120 -3.441 1.00 0.00 N ATOM 1159 CA LYS A 76 -15.106 5.968 -2.637 1.00 0.00 C ATOM 1160 C LYS A 76 -14.134 4.823 -2.878 1.00 0.00 C ATOM 1161 O LYS A 76 -14.063 4.276 -3.977 1.00 0.00 O ATOM 1162 CB LYS A 76 -16.526 5.518 -2.972 1.00 0.00 C ATOM 1163 CG LYS A 76 -16.973 4.283 -2.209 1.00 0.00 C ATOM 1164 CD LYS A 76 -18.217 3.683 -2.830 1.00 0.00 C ATOM 1165 CE LYS A 76 -18.622 2.393 -2.143 1.00 0.00 C ATOM 1166 NZ LYS A 76 -19.732 1.712 -2.860 1.00 0.00 N ATOM 0 H LYS A 76 -15.283 7.223 -4.299 1.00 0.00 H new ATOM 0 HA LYS A 76 -15.061 6.254 -1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -17.216 6.335 -2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.591 5.316 -4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.172 3.544 -2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.171 4.545 -1.170 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.036 4.400 -2.769 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.039 3.491 -3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -17.762 1.726 -2.086 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -18.928 2.607 -1.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -20.194 1.034 -2.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -20.427 2.419 -3.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -19.353 1.206 -3.686 1.00 0.00 H new ATOM 1180 N ILE A 77 -13.393 4.465 -1.850 1.00 0.00 N ATOM 1181 CA ILE A 77 -12.429 3.384 -1.959 1.00 0.00 C ATOM 1182 C ILE A 77 -13.105 2.051 -1.648 1.00 0.00 C ATOM 1183 O ILE A 77 -13.599 1.823 -0.543 1.00 0.00 O ATOM 1184 CB ILE A 77 -11.198 3.616 -1.045 1.00 0.00 C ATOM 1185 CG1 ILE A 77 -10.187 2.478 -1.211 1.00 0.00 C ATOM 1186 CG2 ILE A 77 -11.614 3.764 0.415 1.00 0.00 C ATOM 1187 CD1 ILE A 77 -8.884 2.709 -0.474 1.00 0.00 C ATOM 0 H ILE A 77 -13.438 4.904 -0.930 1.00 0.00 H new ATOM 0 HA ILE A 77 -12.060 3.360 -2.984 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.722 4.548 -1.349 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.636 1.550 -0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -9.975 2.344 -2.272 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -10.729 3.925 1.031 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -12.287 4.615 0.517 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -12.123 2.857 0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.218 1.862 -0.638 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.412 3.619 -0.846 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.083 2.813 0.593 1.00 0.00 H new ATOM 1199 N VAL A 78 -13.160 1.187 -2.648 1.00 0.00 N ATOM 1200 CA VAL A 78 -13.847 -0.087 -2.521 1.00 0.00 C ATOM 1201 C VAL A 78 -12.894 -1.163 -2.017 1.00 0.00 C ATOM 1202 O VAL A 78 -13.164 -1.830 -1.017 1.00 0.00 O ATOM 1203 CB VAL A 78 -14.443 -0.536 -3.871 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -15.323 -1.759 -3.694 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -15.219 0.598 -4.522 1.00 0.00 C ATOM 0 H VAL A 78 -12.735 1.346 -3.561 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.656 0.050 -1.803 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.619 -0.806 -4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.731 -2.056 -4.660 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.731 -2.577 -3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.140 -1.524 -3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -15.630 0.259 -5.473 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -16.032 0.907 -3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.552 1.442 -4.696 1.00 0.00 H new ATOM 1215 N GLU A 79 -11.771 -1.304 -2.701 1.00 0.00 N ATOM 1216 CA GLU A 79 -10.812 -2.347 -2.378 1.00 0.00 C ATOM 1217 C GLU A 79 -9.593 -1.756 -1.703 1.00 0.00 C ATOM 1218 O GLU A 79 -9.204 -0.629 -1.994 1.00 0.00 O ATOM 1219 CB GLU A 79 -10.344 -3.073 -3.641 1.00 0.00 C ATOM 1220 CG GLU A 79 -11.458 -3.601 -4.518 1.00 0.00 C ATOM 1221 CD GLU A 79 -12.317 -4.644 -3.841 1.00 0.00 C ATOM 1222 OE1 GLU A 79 -11.790 -5.422 -3.018 1.00 0.00 O ATOM 1223 OE2 GLU A 79 -13.525 -4.693 -4.148 1.00 0.00 O ATOM 0 H GLU A 79 -11.501 -0.709 -3.484 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.312 -3.049 -1.711 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.730 -2.391 -4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.705 -3.906 -3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.089 -2.769 -4.830 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.026 -4.029 -5.422 1.00 0.00 H new ATOM 1230 N ILE A 80 -9.015 -2.518 -0.798 1.00 0.00 N ATOM 1231 CA ILE A 80 -7.688 -2.233 -0.286 1.00 0.00 C ATOM 1232 C ILE A 80 -6.897 -3.532 -0.291 1.00 0.00 C ATOM 1233 O ILE A 80 -6.830 -4.243 0.708 1.00 0.00 O ATOM 1234 CB ILE A 80 -7.696 -1.632 1.141 1.00 0.00 C ATOM 1235 CG1 ILE A 80 -8.701 -0.479 1.247 1.00 0.00 C ATOM 1236 CG2 ILE A 80 -6.298 -1.143 1.505 1.00 0.00 C ATOM 1237 CD1 ILE A 80 -8.793 0.127 2.633 1.00 0.00 C ATOM 0 H ILE A 80 -9.449 -3.350 -0.397 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.233 -1.480 -0.929 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.999 -2.411 1.840 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.422 0.300 0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.686 -0.840 0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.310 -0.721 2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.600 -1.979 1.471 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.984 -0.378 0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.524 0.936 2.629 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.103 -0.638 3.345 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.819 0.520 2.924 1.00 0.00 H new ATOM 1249 N SER A 81 -6.360 -3.874 -1.448 1.00 0.00 N ATOM 1250 CA SER A 81 -5.665 -5.136 -1.614 1.00 0.00 C ATOM 1251 C SER A 81 -4.207 -4.903 -1.991 1.00 0.00 C ATOM 1252 O SER A 81 -3.921 -4.348 -3.055 1.00 0.00 O ATOM 1253 CB SER A 81 -6.363 -5.968 -2.691 1.00 0.00 C ATOM 1254 OG SER A 81 -7.748 -6.096 -2.410 1.00 0.00 O ATOM 0 H SER A 81 -6.392 -3.295 -2.287 1.00 0.00 H new ATOM 0 HA SER A 81 -5.689 -5.677 -0.668 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.227 -5.498 -3.665 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.906 -6.956 -2.747 1.00 0.00 H new ATOM 0 HG SER A 81 -8.176 -6.630 -3.111 1.00 0.00 H new ATOM 1260 N PRO A 82 -3.256 -5.316 -1.133 1.00 0.00 N ATOM 1261 CA PRO A 82 -3.532 -5.972 0.143 1.00 0.00 C ATOM 1262 C PRO A 82 -3.573 -5.002 1.326 1.00 0.00 C ATOM 1263 O PRO A 82 -3.028 -3.899 1.262 1.00 0.00 O ATOM 1264 CB PRO A 82 -2.340 -6.918 0.273 1.00 0.00 C ATOM 1265 CG PRO A 82 -1.213 -6.252 -0.462 1.00 0.00 C ATOM 1266 CD PRO A 82 -1.810 -5.185 -1.352 1.00 0.00 C ATOM 0 HA PRO A 82 -4.510 -6.453 0.159 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.082 -7.082 1.319 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.566 -7.894 -0.157 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.506 -5.812 0.241 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -0.661 -6.980 -1.056 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.453 -4.192 -1.081 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.548 -5.344 -2.398 1.00 0.00 H new ATOM 1274 N ARG A 83 -4.235 -5.417 2.398 1.00 0.00 N ATOM 1275 CA ARG A 83 -4.261 -4.647 3.636 1.00 0.00 C ATOM 1276 C ARG A 83 -3.207 -5.159 4.607 1.00 0.00 C ATOM 1277 O ARG A 83 -2.649 -4.397 5.393 1.00 0.00 O ATOM 1278 CB ARG A 83 -5.640 -4.718 4.293 1.00 0.00 C ATOM 1279 CG ARG A 83 -6.627 -3.711 3.737 1.00 0.00 C ATOM 1280 CD ARG A 83 -8.010 -3.887 4.340 1.00 0.00 C ATOM 1281 NE ARG A 83 -8.646 -5.126 3.900 1.00 0.00 N ATOM 1282 CZ ARG A 83 -9.558 -5.786 4.609 1.00 0.00 C ATOM 1283 NH1 ARG A 83 -9.916 -5.354 5.810 1.00 0.00 N ATOM 1284 NH2 ARG A 83 -10.110 -6.882 4.108 1.00 0.00 N ATOM 0 H ARG A 83 -4.764 -6.288 2.435 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.043 -3.609 3.387 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.045 -5.722 4.163 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.532 -4.555 5.365 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.269 -2.701 3.938 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.686 -3.819 2.654 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.934 -3.885 5.427 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.637 -3.040 4.063 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.374 -5.508 2.994 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.492 -4.511 6.196 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.616 -5.865 6.348 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.835 -7.215 3.184 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.810 -7.393 4.647 1.00 0.00 H new ATOM 1298 N VAL A 84 -2.942 -6.453 4.547 1.00 0.00 N ATOM 1299 CA VAL A 84 -1.963 -7.072 5.424 1.00 0.00 C ATOM 1300 C VAL A 84 -0.853 -7.703 4.601 1.00 0.00 C ATOM 1301 O VAL A 84 -1.110 -8.550 3.743 1.00 0.00 O ATOM 1302 CB VAL A 84 -2.606 -8.147 6.327 1.00 0.00 C ATOM 1303 CG1 VAL A 84 -1.585 -8.723 7.298 1.00 0.00 C ATOM 1304 CG2 VAL A 84 -3.799 -7.573 7.077 1.00 0.00 C ATOM 0 H VAL A 84 -3.393 -7.097 3.898 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.553 -6.290 6.063 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.960 -8.958 5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.063 -9.478 7.923 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.768 -9.179 6.739 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.192 -7.925 7.929 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.238 -8.346 7.708 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.471 -6.740 7.699 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.543 -7.221 6.362 1.00 0.00 H new ATOM 1314 N VAL A 85 0.376 -7.276 4.847 1.00 0.00 N ATOM 1315 CA VAL A 85 1.525 -7.800 4.126 1.00 0.00 C ATOM 1316 C VAL A 85 2.536 -8.413 5.086 1.00 0.00 C ATOM 1317 O VAL A 85 2.792 -7.874 6.165 1.00 0.00 O ATOM 1318 CB VAL A 85 2.218 -6.714 3.272 1.00 0.00 C ATOM 1319 CG1 VAL A 85 1.326 -6.300 2.112 1.00 0.00 C ATOM 1320 CG2 VAL A 85 2.585 -5.502 4.118 1.00 0.00 C ATOM 0 H VAL A 85 0.603 -6.566 5.543 1.00 0.00 H new ATOM 0 HA VAL A 85 1.148 -8.572 3.455 1.00 0.00 H new ATOM 0 HB VAL A 85 3.139 -7.138 2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.829 -5.535 1.521 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.120 -7.167 1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.388 -5.901 2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.071 -4.754 3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.682 -5.077 4.556 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.265 -5.806 4.913 1.00 0.00 H new ATOM 1330 N THR A 86 3.095 -9.547 4.696 1.00 0.00 N ATOM 1331 CA THR A 86 4.093 -10.222 5.504 1.00 0.00 C ATOM 1332 C THR A 86 5.487 -9.706 5.154 1.00 0.00 C ATOM 1333 O THR A 86 6.054 -10.063 4.121 1.00 0.00 O ATOM 1334 CB THR A 86 4.030 -11.747 5.286 1.00 0.00 C ATOM 1335 OG1 THR A 86 2.668 -12.193 5.366 1.00 0.00 O ATOM 1336 CG2 THR A 86 4.865 -12.483 6.320 1.00 0.00 C ATOM 0 H THR A 86 2.872 -10.020 3.820 1.00 0.00 H new ATOM 0 HA THR A 86 3.885 -10.012 6.553 1.00 0.00 H new ATOM 0 HB THR A 86 4.434 -11.965 4.297 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.391 -12.233 6.305 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.802 -13.556 6.142 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.904 -12.163 6.243 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.489 -12.258 7.318 1.00 0.00 H new ATOM 1344 N LEU A 87 6.025 -8.849 6.007 1.00 0.00 N ATOM 1345 CA LEU A 87 7.307 -8.218 5.744 1.00 0.00 C ATOM 1346 C LEU A 87 8.418 -8.896 6.531 1.00 0.00 C ATOM 1347 O LEU A 87 8.314 -9.082 7.746 1.00 0.00 O ATOM 1348 CB LEU A 87 7.254 -6.729 6.097 1.00 0.00 C ATOM 1349 CG LEU A 87 6.260 -5.899 5.280 1.00 0.00 C ATOM 1350 CD1 LEU A 87 6.277 -4.448 5.737 1.00 0.00 C ATOM 1351 CD2 LEU A 87 6.580 -5.994 3.797 1.00 0.00 C ATOM 0 H LEU A 87 5.592 -8.574 6.889 1.00 0.00 H new ATOM 0 HA LEU A 87 7.521 -8.324 4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.002 -6.631 7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.250 -6.306 5.966 1.00 0.00 H new ATOM 0 HG LEU A 87 5.260 -6.300 5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.565 -3.872 5.146 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.001 -4.395 6.790 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.277 -4.036 5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.864 -5.398 3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.587 -5.618 3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.519 -7.034 3.478 1.00 0.00 H new ATOM 1363 N GLN A 88 9.476 -9.271 5.831 1.00 0.00 N ATOM 1364 CA GLN A 88 10.629 -9.886 6.463 1.00 0.00 C ATOM 1365 C GLN A 88 11.644 -8.822 6.852 1.00 0.00 C ATOM 1366 O GLN A 88 12.352 -8.283 6.000 1.00 0.00 O ATOM 1367 CB GLN A 88 11.263 -10.903 5.519 1.00 0.00 C ATOM 1368 CG GLN A 88 10.335 -12.049 5.157 1.00 0.00 C ATOM 1369 CD GLN A 88 10.909 -12.951 4.086 1.00 0.00 C ATOM 1370 OE1 GLN A 88 11.658 -12.503 3.215 1.00 0.00 O ATOM 1371 NE2 GLN A 88 10.560 -14.226 4.139 1.00 0.00 N ATOM 0 H GLN A 88 9.559 -9.159 4.821 1.00 0.00 H new ATOM 0 HA GLN A 88 10.303 -10.402 7.366 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.575 -10.395 4.606 1.00 0.00 H new ATOM 0 HB3 GLN A 88 12.163 -11.307 5.983 1.00 0.00 H new ATOM 0 HG2 GLN A 88 10.128 -12.639 6.050 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.383 -11.645 4.814 1.00 0.00 H new ATOM 0 HE21 GLN A 88 9.938 -14.554 4.877 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.913 -14.881 3.441 1.00 0.00 H new ATOM 1380 N LEU A 89 11.695 -8.503 8.134 1.00 0.00 N ATOM 1381 CA LEU A 89 12.616 -7.496 8.631 1.00 0.00 C ATOM 1382 C LEU A 89 13.871 -8.143 9.185 1.00 0.00 C ATOM 1383 O LEU A 89 13.805 -9.049 10.010 1.00 0.00 O ATOM 1384 CB LEU A 89 11.949 -6.650 9.712 1.00 0.00 C ATOM 1385 CG LEU A 89 10.768 -5.809 9.235 1.00 0.00 C ATOM 1386 CD1 LEU A 89 10.110 -5.110 10.407 1.00 0.00 C ATOM 1387 CD2 LEU A 89 11.224 -4.795 8.203 1.00 0.00 C ATOM 0 H LEU A 89 11.108 -8.928 8.851 1.00 0.00 H new ATOM 0 HA LEU A 89 12.894 -6.851 7.797 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.607 -7.310 10.510 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.697 -5.986 10.146 1.00 0.00 H new ATOM 0 HG LEU A 89 10.036 -6.471 8.771 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.270 -4.514 10.050 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.752 -5.853 11.119 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.835 -4.459 10.896 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.370 -4.203 7.873 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.972 -4.137 8.645 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.657 -5.315 7.349 1.00 0.00 H new ATOM 1399 N GLU A 90 15.012 -7.669 8.729 1.00 0.00 N ATOM 1400 CA GLU A 90 16.285 -8.177 9.206 1.00 0.00 C ATOM 1401 C GLU A 90 17.093 -7.062 9.860 1.00 0.00 C ATOM 1402 O GLU A 90 16.660 -5.907 9.907 1.00 0.00 O ATOM 1403 CB GLU A 90 17.086 -8.811 8.065 1.00 0.00 C ATOM 1404 CG GLU A 90 17.460 -10.268 8.321 1.00 0.00 C ATOM 1405 CD GLU A 90 18.142 -10.475 9.662 1.00 0.00 C ATOM 1406 OE1 GLU A 90 19.229 -9.897 9.883 1.00 0.00 O ATOM 1407 OE2 GLU A 90 17.598 -11.211 10.506 1.00 0.00 O ATOM 0 H GLU A 90 15.086 -6.932 8.028 1.00 0.00 H new ATOM 0 HA GLU A 90 16.082 -8.947 9.950 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.504 -8.750 7.145 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.996 -8.233 7.906 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.560 -10.882 8.278 1.00 0.00 H new ATOM 0 HG3 GLU A 90 18.120 -10.614 7.526 1.00 0.00 H new ATOM 1414 N HIS A 91 18.267 -7.421 10.356 1.00 0.00 N ATOM 1415 CA HIS A 91 19.121 -6.494 11.079 1.00 0.00 C ATOM 1416 C HIS A 91 19.894 -5.621 10.105 1.00 0.00 C ATOM 1417 O HIS A 91 20.722 -6.114 9.339 1.00 0.00 O ATOM 1418 CB HIS A 91 20.108 -7.259 11.968 1.00 0.00 C ATOM 1419 CG HIS A 91 19.458 -8.212 12.928 1.00 0.00 C ATOM 1420 ND1 HIS A 91 19.095 -9.496 12.583 1.00 0.00 N ATOM 1421 CD2 HIS A 91 19.113 -8.064 14.228 1.00 0.00 C ATOM 1422 CE1 HIS A 91 18.551 -10.093 13.625 1.00 0.00 C ATOM 1423 NE2 HIS A 91 18.549 -9.248 14.637 1.00 0.00 N ATOM 0 H HIS A 91 18.653 -8.361 10.269 1.00 0.00 H new ATOM 0 HA HIS A 91 18.488 -5.864 11.705 1.00 0.00 H new ATOM 0 HB2 HIS A 91 20.797 -7.815 11.332 1.00 0.00 H new ATOM 0 HB3 HIS A 91 20.703 -6.541 12.533 1.00 0.00 H new ATOM 0 HD1 HIS A 91 19.227 -9.919 11.664 1.00 0.00 H new ATOM 0 HD2 HIS A 91 19.255 -7.180 14.832 1.00 0.00 H new ATOM 0 HE1 HIS A 91 18.171 -11.104 13.646 1.00 0.00 H new ATOM 1432 N HIS A 92 19.618 -4.327 10.120 1.00 0.00 N ATOM 1433 CA HIS A 92 20.351 -3.395 9.274 1.00 0.00 C ATOM 1434 C HIS A 92 21.653 -2.997 9.958 1.00 0.00 C ATOM 1435 O HIS A 92 22.572 -2.473 9.327 1.00 0.00 O ATOM 1436 CB HIS A 92 19.501 -2.159 8.965 1.00 0.00 C ATOM 1437 CG HIS A 92 20.148 -1.207 8.001 1.00 0.00 C ATOM 1438 ND1 HIS A 92 20.153 -1.404 6.636 1.00 0.00 N ATOM 1439 CD2 HIS A 92 20.828 -0.053 8.213 1.00 0.00 C ATOM 1440 CE1 HIS A 92 20.805 -0.415 6.054 1.00 0.00 C ATOM 1441 NE2 HIS A 92 21.223 0.414 6.986 1.00 0.00 N ATOM 0 H HIS A 92 18.898 -3.899 10.703 1.00 0.00 H new ATOM 0 HA HIS A 92 20.584 -3.884 8.328 1.00 0.00 H new ATOM 0 HB2 HIS A 92 18.543 -2.481 8.556 1.00 0.00 H new ATOM 0 HB3 HIS A 92 19.290 -1.632 9.896 1.00 0.00 H new ATOM 0 HD1 HIS A 92 19.721 -2.191 6.152 1.00 0.00 H new ATOM 0 HD2 HIS A 92 21.022 0.411 9.169 1.00 0.00 H new ATOM 0 HE1 HIS A 92 20.968 -0.305 4.992 1.00 0.00 H new ATOM 1450 N HIS A 93 21.726 -3.255 11.254 1.00 0.00 N ATOM 1451 CA HIS A 93 22.919 -2.948 12.020 1.00 0.00 C ATOM 1452 C HIS A 93 23.437 -4.215 12.687 1.00 0.00 C ATOM 1453 O HIS A 93 22.884 -4.658 13.695 1.00 0.00 O ATOM 1454 CB HIS A 93 22.624 -1.877 13.070 1.00 0.00 C ATOM 1455 CG HIS A 93 23.779 -0.958 13.323 1.00 0.00 C ATOM 1456 ND1 HIS A 93 24.663 -1.117 14.368 1.00 0.00 N ATOM 1457 CD2 HIS A 93 24.189 0.143 12.653 1.00 0.00 C ATOM 1458 CE1 HIS A 93 25.567 -0.155 14.326 1.00 0.00 C ATOM 1459 NE2 HIS A 93 25.300 0.623 13.294 1.00 0.00 N ATOM 0 H HIS A 93 20.972 -3.677 11.796 1.00 0.00 H new ATOM 0 HA HIS A 93 23.682 -2.560 11.345 1.00 0.00 H new ATOM 0 HB2 HIS A 93 21.765 -1.289 12.747 1.00 0.00 H new ATOM 0 HB3 HIS A 93 22.344 -2.363 14.005 1.00 0.00 H new ATOM 0 HD2 HIS A 93 23.725 0.566 11.774 1.00 0.00 H new ATOM 0 HE1 HIS A 93 26.386 -0.027 15.019 1.00 0.00 H new ATOM 0 HE2 HIS A 93 25.834 1.447 13.019 1.00 0.00 H new ATOM 1468 N HIS A 94 24.482 -4.789 12.097 1.00 0.00 N ATOM 1469 CA HIS A 94 25.069 -6.054 12.547 1.00 0.00 C ATOM 1470 C HIS A 94 24.114 -7.222 12.302 1.00 0.00 C ATOM 1471 O HIS A 94 23.081 -7.351 12.957 1.00 0.00 O ATOM 1472 CB HIS A 94 25.475 -5.997 14.025 1.00 0.00 C ATOM 1473 CG HIS A 94 26.146 -7.248 14.512 1.00 0.00 C ATOM 1474 ND1 HIS A 94 25.501 -8.211 15.257 1.00 0.00 N ATOM 1475 CD2 HIS A 94 27.416 -7.687 14.356 1.00 0.00 C ATOM 1476 CE1 HIS A 94 26.345 -9.185 15.536 1.00 0.00 C ATOM 1477 NE2 HIS A 94 27.512 -8.892 15.002 1.00 0.00 N ATOM 0 H HIS A 94 24.952 -4.388 11.285 1.00 0.00 H new ATOM 0 HA HIS A 94 25.972 -6.216 11.958 1.00 0.00 H new ATOM 0 HB2 HIS A 94 26.147 -5.152 14.176 1.00 0.00 H new ATOM 0 HB3 HIS A 94 24.588 -5.811 14.630 1.00 0.00 H new ATOM 0 HD2 HIS A 94 28.207 -7.182 13.822 1.00 0.00 H new ATOM 0 HE1 HIS A 94 26.117 -10.073 16.106 1.00 0.00 H new ATOM 0 HE2 HIS A 94 28.352 -9.468 15.060 1.00 0.00 H new ATOM 1486 N HIS A 95 24.478 -8.070 11.358 1.00 0.00 N ATOM 1487 CA HIS A 95 23.666 -9.220 10.996 1.00 0.00 C ATOM 1488 C HIS A 95 24.351 -10.509 11.441 1.00 0.00 C ATOM 1489 O HIS A 95 23.823 -11.235 12.280 1.00 0.00 O ATOM 1490 CB HIS A 95 23.402 -9.206 9.480 1.00 0.00 C ATOM 1491 CG HIS A 95 22.844 -10.481 8.914 1.00 0.00 C ATOM 1492 ND1 HIS A 95 21.509 -10.816 8.946 1.00 0.00 N ATOM 1493 CD2 HIS A 95 23.462 -11.490 8.259 1.00 0.00 C ATOM 1494 CE1 HIS A 95 21.335 -11.975 8.340 1.00 0.00 C ATOM 1495 NE2 HIS A 95 22.505 -12.407 7.910 1.00 0.00 N ATOM 0 H HIS A 95 25.341 -7.983 10.822 1.00 0.00 H new ATOM 0 HA HIS A 95 22.705 -9.169 11.507 1.00 0.00 H new ATOM 0 HB2 HIS A 95 22.710 -8.395 9.256 1.00 0.00 H new ATOM 0 HB3 HIS A 95 24.336 -8.978 8.967 1.00 0.00 H new ATOM 0 HD1 HIS A 95 20.770 -10.256 9.371 1.00 0.00 H new ATOM 0 HD2 HIS A 95 24.519 -11.560 8.049 1.00 0.00 H new ATOM 0 HE1 HIS A 95 20.391 -12.485 8.216 1.00 0.00 H new ATOM 1504 N HIS A 96 25.533 -10.770 10.892 1.00 0.00 N ATOM 1505 CA HIS A 96 26.302 -11.968 11.219 1.00 0.00 C ATOM 1506 C HIS A 96 27.619 -11.966 10.457 1.00 0.00 C ATOM 1507 O HIS A 96 27.575 -12.002 9.209 1.00 0.00 O ATOM 1508 CB HIS A 96 25.509 -13.240 10.887 1.00 0.00 C ATOM 1509 CG HIS A 96 26.238 -14.512 11.205 1.00 0.00 C ATOM 1510 ND1 HIS A 96 26.293 -15.055 12.471 1.00 0.00 N ATOM 1511 CD2 HIS A 96 26.941 -15.351 10.409 1.00 0.00 C ATOM 1512 CE1 HIS A 96 26.997 -16.169 12.438 1.00 0.00 C ATOM 1513 NE2 HIS A 96 27.399 -16.371 11.202 1.00 0.00 N ATOM 1514 OXT HIS A 96 28.685 -11.941 11.101 1.00 0.00 O ATOM 0 H HIS A 96 25.984 -10.160 10.210 1.00 0.00 H new ATOM 0 HA HIS A 96 26.504 -11.960 12.290 1.00 0.00 H new ATOM 0 HB2 HIS A 96 24.569 -13.224 11.438 1.00 0.00 H new ATOM 0 HB3 HIS A 96 25.257 -13.233 9.827 1.00 0.00 H new ATOM 0 HD2 HIS A 96 27.109 -15.238 9.348 1.00 0.00 H new ATOM 0 HE1 HIS A 96 27.208 -16.808 13.283 1.00 0.00 H new ATOM 0 HE2 HIS A 96 27.962 -17.160 10.884 1.00 0.00 H new TER 1523 HIS A 96