USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1090 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 Single : A 8 GLN : amide:sc= -1.56 K(o=-1.6,f=-5.6!) USER MOD Single : A 10 SER OG : rot 89:sc= 0.998 USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= -0.116 (180deg=-0.166) USER MOD Single : A 14 ASN : amide:sc= -7.13! C(o=-7.1!,f=-9.3!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -40:sc= -1.4! USER MOD Single : A 25 CYS SG : rot 12:sc= 0.0776 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 56:sc= 0.796 USER MOD Single : A 37 HIS : no HD1:sc= -0.0556 X(o=-0.056,f=-0.056) USER MOD Single : A 41 GLN : amide:sc= -0.0332 K(o=-0.033,f=-0.93) USER MOD Single : A 42 THR OG1 : rot 89:sc= 1.16 USER MOD Single : A 45 GLN : amide:sc= -7.46! C(o=-7.5!,f=-3.7!) USER MOD Single : A 46 ASN : amide:sc= -10.3! C(o=-10!,f=-12!) USER MOD Single : A 48 CYS SG : rot -48:sc= -3.71! USER MOD Single : A 53 SER OG : rot 69:sc= 1.42 USER MOD Single : A 60 THR OG1 : rot -140:sc= 0 USER MOD Single : A 62 THR OG1 : rot -150:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -4.27! C(o=-4.3!,f=-2.3!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.106 K(o=-0.11,f=-0.95) USER MOD Single : A 72 SER OG : rot 140:sc= -0.656 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 77 GLN : amide:sc= -0.622 X(o=-0.62,f=-0.65) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot -45:sc= -0.0515 USER MOD Single : A 94 LYS NZ :NH3+ 166:sc= -0.0821 (180deg=-0.447) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 MET CE :methyl 134:sc= -0.691 (180deg=-4.15!) USER MOD Single : A 104 ASN : amide:sc= -0.0227 X(o=-0.023,f=-0.15) USER MOD Single : A 107 CYS SG : rot 1:sc= -10.4! USER MOD Single : A 111 LYS NZ :NH3+ 160:sc= -0.0725 (180deg=-0.56) USER MOD Single : A 117 HIS : no HE2:sc= -11.1! C(o=-11!,f=-15!) USER MOD Single : A 122 MET CE :methyl 175:sc= 0 (180deg=-0.0116) USER MOD Single : A 124 CYS SG : rot -87:sc= -5.1! USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 140 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 141 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 -13.602 -25.446 7.545 1.00 0.00 N ATOM 2 CA VAL A 4 -14.299 -24.748 6.425 1.00 0.00 C ATOM 3 C VAL A 4 -13.811 -25.344 5.101 1.00 0.00 C ATOM 4 O VAL A 4 -13.384 -26.479 5.041 1.00 0.00 O ATOM 5 CB VAL A 4 -13.964 -23.241 6.476 1.00 0.00 C ATOM 6 CG1 VAL A 4 -15.137 -22.406 5.944 1.00 0.00 C ATOM 7 CG2 VAL A 4 -13.686 -22.838 7.921 1.00 0.00 C ATOM 0 HA VAL A 4 -15.378 -24.876 6.512 1.00 0.00 H new ATOM 0 HB VAL A 4 -13.088 -23.057 5.854 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -14.880 -21.348 5.989 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -15.344 -22.686 4.911 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -16.021 -22.591 6.554 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -13.449 -21.775 7.963 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -14.567 -23.038 8.530 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.843 -23.413 8.303 1.00 0.00 H new ATOM 17 N VAL A 5 -13.843 -24.577 4.050 1.00 0.00 N ATOM 18 CA VAL A 5 -13.349 -25.094 2.750 1.00 0.00 C ATOM 19 C VAL A 5 -11.824 -25.300 2.895 1.00 0.00 C ATOM 20 O VAL A 5 -11.119 -24.394 3.295 1.00 0.00 O ATOM 21 CB VAL A 5 -13.663 -24.062 1.652 1.00 0.00 C ATOM 22 CG1 VAL A 5 -13.449 -22.644 2.195 1.00 0.00 C ATOM 23 CG2 VAL A 5 -12.758 -24.293 0.435 1.00 0.00 C ATOM 0 H VAL A 5 -14.189 -23.618 4.036 1.00 0.00 H new ATOM 0 HA VAL A 5 -13.827 -26.035 2.477 1.00 0.00 H new ATOM 0 HB VAL A 5 -14.703 -24.178 1.347 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -13.673 -21.918 1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -14.109 -22.477 3.046 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.413 -22.528 2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.989 -23.557 -0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.714 -24.191 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.926 -25.295 0.041 1.00 0.00 H new ATOM 33 N PRO A 6 -11.304 -26.475 2.596 1.00 0.00 N ATOM 34 CA PRO A 6 -9.842 -26.753 2.723 1.00 0.00 C ATOM 35 C PRO A 6 -9.040 -26.288 1.508 1.00 0.00 C ATOM 36 O PRO A 6 -7.833 -26.428 1.464 1.00 0.00 O ATOM 37 CB PRO A 6 -9.795 -28.275 2.820 1.00 0.00 C ATOM 38 CG PRO A 6 -10.927 -28.733 1.961 1.00 0.00 C ATOM 39 CD PRO A 6 -12.029 -27.676 2.119 1.00 0.00 C ATOM 0 HA PRO A 6 -9.403 -26.227 3.570 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.842 -28.667 2.465 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.915 -28.612 3.850 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.617 -28.821 0.920 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.281 -29.716 2.272 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.539 -27.486 1.175 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.789 -27.994 2.833 1.00 0.00 H new ATOM 47 N ASP A 7 -9.692 -25.773 0.509 1.00 0.00 N ATOM 48 CA ASP A 7 -8.941 -25.346 -0.708 1.00 0.00 C ATOM 49 C ASP A 7 -8.261 -24.005 -0.457 1.00 0.00 C ATOM 50 O ASP A 7 -7.577 -23.474 -1.309 1.00 0.00 O ATOM 51 CB ASP A 7 -9.891 -25.258 -1.913 1.00 0.00 C ATOM 52 CG ASP A 7 -10.854 -24.065 -1.794 1.00 0.00 C ATOM 53 OD1 ASP A 7 -10.503 -23.082 -1.161 1.00 0.00 O ATOM 54 OD2 ASP A 7 -11.929 -24.154 -2.366 1.00 0.00 O ATOM 0 H ASP A 7 -10.701 -25.628 0.477 1.00 0.00 H new ATOM 0 HA ASP A 7 -8.173 -26.086 -0.931 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.308 -25.165 -2.829 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.464 -26.182 -1.992 1.00 0.00 H new ATOM 59 N GLN A 8 -8.427 -23.457 0.708 1.00 0.00 N ATOM 60 CA GLN A 8 -7.772 -22.161 1.003 1.00 0.00 C ATOM 61 C GLN A 8 -6.299 -22.431 1.294 1.00 0.00 C ATOM 62 O GLN A 8 -5.412 -22.052 0.559 1.00 0.00 O ATOM 63 CB GLN A 8 -8.407 -21.593 2.265 1.00 0.00 C ATOM 64 CG GLN A 8 -9.917 -21.505 2.089 1.00 0.00 C ATOM 65 CD GLN A 8 -10.530 -21.021 3.402 1.00 0.00 C ATOM 66 OE1 GLN A 8 -10.772 -19.853 3.582 1.00 0.00 O ATOM 67 NE2 GLN A 8 -10.779 -21.883 4.345 1.00 0.00 N ATOM 0 H GLN A 8 -8.986 -23.849 1.466 1.00 0.00 H new ATOM 0 HA GLN A 8 -7.880 -21.470 0.167 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.168 -22.226 3.120 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.998 -20.605 2.476 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.165 -20.818 1.279 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.324 -22.479 1.817 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.576 -22.872 4.198 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.177 -21.570 5.230 1.00 0.00 H new ATOM 76 N ARG A 9 -6.061 -23.115 2.373 1.00 0.00 N ATOM 77 CA ARG A 9 -4.674 -23.469 2.777 1.00 0.00 C ATOM 78 C ARG A 9 -3.952 -24.208 1.649 1.00 0.00 C ATOM 79 O ARG A 9 -2.767 -24.026 1.435 1.00 0.00 O ATOM 80 CB ARG A 9 -4.745 -24.367 4.024 1.00 0.00 C ATOM 81 CG ARG A 9 -3.336 -24.587 4.581 1.00 0.00 C ATOM 82 CD ARG A 9 -3.400 -25.484 5.823 1.00 0.00 C ATOM 83 NE ARG A 9 -4.189 -24.801 6.903 1.00 0.00 N ATOM 84 CZ ARG A 9 -3.829 -23.639 7.372 1.00 0.00 C ATOM 85 NH1 ARG A 9 -2.663 -23.145 7.069 1.00 0.00 N ATOM 86 NH2 ARG A 9 -4.614 -22.988 8.188 1.00 0.00 N ATOM 0 H ARG A 9 -6.785 -23.452 3.007 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.117 -22.558 2.995 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.378 -23.905 4.781 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.200 -25.324 3.769 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.703 -25.047 3.822 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.883 -23.629 4.836 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.862 -26.438 5.570 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.393 -25.702 6.178 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.022 -25.255 7.277 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.030 -23.667 6.464 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.383 -22.236 7.437 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.512 -23.388 8.460 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.329 -22.079 8.553 1.00 0.00 H new ATOM 100 N SER A 10 -4.641 -25.075 0.959 1.00 0.00 N ATOM 101 CA SER A 10 -3.970 -25.865 -0.114 1.00 0.00 C ATOM 102 C SER A 10 -3.529 -25.002 -1.304 1.00 0.00 C ATOM 103 O SER A 10 -2.402 -25.091 -1.733 1.00 0.00 O ATOM 104 CB SER A 10 -4.923 -26.951 -0.615 1.00 0.00 C ATOM 105 OG SER A 10 -5.473 -27.650 0.497 1.00 0.00 O ATOM 0 H SER A 10 -5.634 -25.270 1.090 1.00 0.00 H new ATOM 0 HA SER A 10 -3.072 -26.301 0.324 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.721 -26.504 -1.208 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.391 -27.644 -1.267 1.00 0.00 H new ATOM 0 HG SER A 10 -6.294 -27.203 0.791 1.00 0.00 H new ATOM 111 N LYS A 11 -4.374 -24.190 -1.876 1.00 0.00 N ATOM 112 CA LYS A 11 -3.893 -23.402 -3.049 1.00 0.00 C ATOM 113 C LYS A 11 -2.793 -22.442 -2.616 1.00 0.00 C ATOM 114 O LYS A 11 -1.811 -22.257 -3.306 1.00 0.00 O ATOM 115 CB LYS A 11 -5.044 -22.621 -3.690 1.00 0.00 C ATOM 116 CG LYS A 11 -5.521 -21.517 -2.747 1.00 0.00 C ATOM 117 CD LYS A 11 -6.856 -20.947 -3.245 1.00 0.00 C ATOM 118 CE LYS A 11 -6.634 -20.151 -4.536 1.00 0.00 C ATOM 119 NZ LYS A 11 -7.866 -19.377 -4.860 1.00 0.00 N ATOM 0 H LYS A 11 -5.343 -24.039 -1.597 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.494 -24.097 -3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.717 -22.187 -4.635 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.869 -23.296 -3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.638 -21.913 -1.738 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.774 -20.725 -2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.563 -21.757 -3.424 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.294 -20.304 -2.482 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.787 -19.475 -4.418 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.390 -20.827 -5.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.688 -18.772 -5.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.643 -20.035 -5.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.127 -18.784 -4.047 1.00 0.00 H new ATOM 133 N PHE A 12 -2.953 -21.825 -1.487 1.00 0.00 N ATOM 134 CA PHE A 12 -1.924 -20.870 -1.019 1.00 0.00 C ATOM 135 C PHE A 12 -0.547 -21.541 -0.831 1.00 0.00 C ATOM 136 O PHE A 12 0.472 -20.963 -1.153 1.00 0.00 O ATOM 137 CB PHE A 12 -2.379 -20.226 0.291 1.00 0.00 C ATOM 138 CG PHE A 12 -1.300 -19.284 0.752 1.00 0.00 C ATOM 139 CD1 PHE A 12 -1.196 -18.011 0.187 1.00 0.00 C ATOM 140 CD2 PHE A 12 -0.388 -19.697 1.726 1.00 0.00 C ATOM 141 CE1 PHE A 12 -0.180 -17.151 0.595 1.00 0.00 C ATOM 142 CE2 PHE A 12 0.627 -18.834 2.141 1.00 0.00 C ATOM 143 CZ PHE A 12 0.734 -17.560 1.575 1.00 0.00 C ATOM 0 H PHE A 12 -3.754 -21.941 -0.867 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.807 -20.106 -1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.316 -19.688 0.145 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.564 -20.990 1.046 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.903 -17.694 -0.566 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.468 -20.684 2.158 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.096 -16.168 0.156 1.00 0.00 H new ATOM 0 HE2 PHE A 12 1.329 -19.150 2.898 1.00 0.00 H new ATOM 0 HZ PHE A 12 1.521 -16.892 1.893 1.00 0.00 H new ATOM 153 N GLU A 13 -0.493 -22.718 -0.260 1.00 0.00 N ATOM 154 CA GLU A 13 0.842 -23.357 -0.005 1.00 0.00 C ATOM 155 C GLU A 13 1.538 -23.839 -1.291 1.00 0.00 C ATOM 156 O GLU A 13 2.742 -23.997 -1.301 1.00 0.00 O ATOM 157 CB GLU A 13 0.684 -24.525 0.987 1.00 0.00 C ATOM 158 CG GLU A 13 -0.044 -25.696 0.329 1.00 0.00 C ATOM 159 CD GLU A 13 -0.240 -26.822 1.346 1.00 0.00 C ATOM 160 OE1 GLU A 13 -0.286 -26.524 2.529 1.00 0.00 O ATOM 161 OE2 GLU A 13 -0.338 -27.964 0.924 1.00 0.00 O ATOM 0 H GLU A 13 -1.303 -23.262 0.039 1.00 0.00 H new ATOM 0 HA GLU A 13 1.484 -22.588 0.425 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.665 -24.849 1.335 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.129 -24.192 1.864 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.010 -25.367 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.529 -26.060 -0.524 1.00 0.00 H new ATOM 168 N ASN A 14 0.825 -24.099 -2.369 1.00 0.00 N ATOM 169 CA ASN A 14 1.525 -24.601 -3.609 1.00 0.00 C ATOM 170 C ASN A 14 1.912 -23.440 -4.543 1.00 0.00 C ATOM 171 O ASN A 14 2.801 -23.573 -5.363 1.00 0.00 O ATOM 172 CB ASN A 14 0.626 -25.606 -4.347 1.00 0.00 C ATOM 173 CG ASN A 14 -0.827 -25.126 -4.348 1.00 0.00 C ATOM 174 OD1 ASN A 14 -1.126 -24.041 -4.806 1.00 0.00 O ATOM 175 ND2 ASN A 14 -1.754 -25.901 -3.848 1.00 0.00 N ATOM 0 H ASN A 14 -0.186 -23.990 -2.447 1.00 0.00 H new ATOM 0 HA ASN A 14 2.444 -25.100 -3.303 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.975 -25.730 -5.372 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.692 -26.583 -3.867 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.727 -25.594 -3.843 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.504 -26.812 -3.463 1.00 0.00 H new ATOM 182 N GLU A 15 1.285 -22.300 -4.427 1.00 0.00 N ATOM 183 CA GLU A 15 1.669 -21.158 -5.314 1.00 0.00 C ATOM 184 C GLU A 15 2.932 -20.480 -4.762 1.00 0.00 C ATOM 185 O GLU A 15 2.953 -19.991 -3.650 1.00 0.00 O ATOM 186 CB GLU A 15 0.515 -20.156 -5.367 1.00 0.00 C ATOM 187 CG GLU A 15 -0.691 -20.818 -6.040 1.00 0.00 C ATOM 188 CD GLU A 15 -1.880 -19.854 -6.041 1.00 0.00 C ATOM 189 OE1 GLU A 15 -1.664 -18.678 -5.795 1.00 0.00 O ATOM 190 OE2 GLU A 15 -2.984 -20.312 -6.283 1.00 0.00 O ATOM 0 H GLU A 15 0.532 -22.109 -3.766 1.00 0.00 H new ATOM 0 HA GLU A 15 1.876 -21.523 -6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.253 -19.831 -4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.814 -19.267 -5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.439 -21.100 -7.062 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.955 -21.735 -5.513 1.00 0.00 H new ATOM 197 N GLU A 16 3.981 -20.451 -5.545 1.00 0.00 N ATOM 198 CA GLU A 16 5.265 -19.819 -5.100 1.00 0.00 C ATOM 199 C GLU A 16 5.208 -18.287 -5.209 1.00 0.00 C ATOM 200 O GLU A 16 6.113 -17.602 -4.796 1.00 0.00 O ATOM 201 CB GLU A 16 6.414 -20.335 -5.965 1.00 0.00 C ATOM 202 CG GLU A 16 6.541 -21.847 -5.804 1.00 0.00 C ATOM 203 CD GLU A 16 7.737 -22.340 -6.619 1.00 0.00 C ATOM 204 OE1 GLU A 16 8.450 -21.503 -7.150 1.00 0.00 O ATOM 205 OE2 GLU A 16 7.928 -23.542 -6.689 1.00 0.00 O ATOM 0 H GLU A 16 4.004 -20.843 -6.486 1.00 0.00 H new ATOM 0 HA GLU A 16 5.424 -20.085 -4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.235 -20.085 -7.011 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.346 -19.849 -5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.672 -22.103 -4.753 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.628 -22.339 -6.141 1.00 0.00 H new ATOM 212 N PHE A 17 4.175 -17.745 -5.783 1.00 0.00 N ATOM 213 CA PHE A 17 4.093 -16.258 -5.949 1.00 0.00 C ATOM 214 C PHE A 17 4.225 -15.505 -4.613 1.00 0.00 C ATOM 215 O PHE A 17 4.684 -14.375 -4.582 1.00 0.00 O ATOM 216 CB PHE A 17 2.736 -15.921 -6.628 1.00 0.00 C ATOM 217 CG PHE A 17 2.191 -14.578 -6.156 1.00 0.00 C ATOM 218 CD1 PHE A 17 2.954 -13.413 -6.301 1.00 0.00 C ATOM 219 CD2 PHE A 17 0.914 -14.505 -5.573 1.00 0.00 C ATOM 220 CE1 PHE A 17 2.445 -12.182 -5.858 1.00 0.00 C ATOM 221 CE2 PHE A 17 0.408 -13.277 -5.137 1.00 0.00 C ATOM 222 CZ PHE A 17 1.170 -12.118 -5.274 1.00 0.00 C ATOM 0 H PHE A 17 3.377 -18.264 -6.148 1.00 0.00 H new ATOM 0 HA PHE A 17 4.929 -15.931 -6.567 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.865 -15.902 -7.710 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.013 -16.706 -6.407 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.933 -13.461 -6.753 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.322 -15.401 -5.461 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.035 -11.284 -5.967 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.575 -13.226 -4.693 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.780 -11.171 -4.931 1.00 0.00 H new ATOM 232 N PHE A 18 3.798 -16.067 -3.532 1.00 0.00 N ATOM 233 CA PHE A 18 3.873 -15.303 -2.259 1.00 0.00 C ATOM 234 C PHE A 18 5.310 -15.165 -1.768 1.00 0.00 C ATOM 235 O PHE A 18 5.784 -14.085 -1.558 1.00 0.00 O ATOM 236 CB PHE A 18 3.033 -16.001 -1.208 1.00 0.00 C ATOM 237 CG PHE A 18 1.627 -16.122 -1.738 1.00 0.00 C ATOM 238 CD1 PHE A 18 0.851 -14.970 -1.947 1.00 0.00 C ATOM 239 CD2 PHE A 18 1.097 -17.381 -2.024 1.00 0.00 C ATOM 240 CE1 PHE A 18 -0.453 -15.088 -2.441 1.00 0.00 C ATOM 241 CE2 PHE A 18 -0.206 -17.494 -2.515 1.00 0.00 C ATOM 242 CZ PHE A 18 -0.981 -16.349 -2.722 1.00 0.00 C ATOM 0 H PHE A 18 3.405 -17.006 -3.466 1.00 0.00 H new ATOM 0 HA PHE A 18 3.489 -14.299 -2.440 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.442 -16.987 -0.986 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.041 -15.435 -0.276 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.260 -13.995 -1.727 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.694 -18.267 -1.866 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.051 -14.203 -2.605 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.616 -18.469 -2.735 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.989 -16.440 -3.100 1.00 0.00 H new ATOM 252 N ARG A 19 6.009 -16.229 -1.581 1.00 0.00 N ATOM 253 CA ARG A 19 7.404 -16.105 -1.095 1.00 0.00 C ATOM 254 C ARG A 19 8.226 -15.247 -2.076 1.00 0.00 C ATOM 255 O ARG A 19 9.157 -14.577 -1.674 1.00 0.00 O ATOM 256 CB ARG A 19 8.008 -17.512 -0.879 1.00 0.00 C ATOM 257 CG ARG A 19 7.314 -18.531 -1.805 1.00 0.00 C ATOM 258 CD ARG A 19 6.028 -19.069 -1.130 1.00 0.00 C ATOM 259 NE ARG A 19 6.362 -20.228 -0.243 1.00 0.00 N ATOM 260 CZ ARG A 19 6.886 -21.327 -0.710 1.00 0.00 C ATOM 261 NH1 ARG A 19 7.024 -21.509 -1.994 1.00 0.00 N ATOM 262 NH2 ARG A 19 7.230 -22.269 0.124 1.00 0.00 N ATOM 0 H ARG A 19 5.682 -17.182 -1.741 1.00 0.00 H new ATOM 0 HA ARG A 19 7.424 -15.595 -0.132 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.079 -17.493 -1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 19 7.887 -17.813 0.162 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.066 -18.060 -2.756 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.992 -19.356 -2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.555 -18.279 -0.547 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.310 -19.377 -1.890 1.00 0.00 H new ATOM 0 HE ARG A 19 6.174 -20.156 0.757 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.720 -20.787 -2.647 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.436 -22.374 -2.345 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.088 -22.140 1.126 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.641 -23.135 -0.226 1.00 0.00 H new ATOM 276 N LYS A 20 7.897 -15.235 -3.349 1.00 0.00 N ATOM 277 CA LYS A 20 8.685 -14.378 -4.296 1.00 0.00 C ATOM 278 C LYS A 20 8.610 -12.904 -3.900 1.00 0.00 C ATOM 279 O LYS A 20 9.590 -12.195 -3.986 1.00 0.00 O ATOM 280 CB LYS A 20 8.144 -14.500 -5.727 1.00 0.00 C ATOM 281 CG LYS A 20 8.455 -15.880 -6.293 1.00 0.00 C ATOM 282 CD LYS A 20 7.951 -15.957 -7.739 1.00 0.00 C ATOM 283 CE LYS A 20 8.004 -17.404 -8.237 1.00 0.00 C ATOM 284 NZ LYS A 20 9.415 -17.791 -8.511 1.00 0.00 N ATOM 0 H LYS A 20 7.134 -15.769 -3.766 1.00 0.00 H new ATOM 0 HA LYS A 20 9.716 -14.728 -4.249 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.067 -14.332 -5.732 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.590 -13.731 -6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.528 -16.067 -6.259 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.978 -16.651 -5.687 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.929 -15.581 -7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.562 -15.321 -8.380 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.573 -18.071 -7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.406 -17.509 -9.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.446 -18.774 -8.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.812 -17.162 -9.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.974 -17.707 -7.638 1.00 0.00 H new ATOM 298 N LEU A 21 7.450 -12.423 -3.503 1.00 0.00 N ATOM 299 CA LEU A 21 7.322 -10.966 -3.144 1.00 0.00 C ATOM 300 C LEU A 21 6.717 -10.797 -1.737 1.00 0.00 C ATOM 301 O LEU A 21 6.641 -9.703 -1.221 1.00 0.00 O ATOM 302 CB LEU A 21 6.398 -10.273 -4.167 1.00 0.00 C ATOM 303 CG LEU A 21 6.965 -10.388 -5.601 1.00 0.00 C ATOM 304 CD1 LEU A 21 6.007 -9.684 -6.572 1.00 0.00 C ATOM 305 CD2 LEU A 21 8.352 -9.726 -5.697 1.00 0.00 C ATOM 0 H LEU A 21 6.594 -12.969 -3.412 1.00 0.00 H new ATOM 0 HA LEU A 21 8.316 -10.518 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.406 -10.723 -4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.282 -9.222 -3.902 1.00 0.00 H new ATOM 0 HG LEU A 21 7.064 -11.443 -5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.397 -9.759 -7.587 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.027 -10.159 -6.524 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.915 -8.634 -6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.730 -9.820 -6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.270 -8.671 -5.436 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.039 -10.218 -5.008 1.00 0.00 H new ATOM 317 N SER A 22 6.285 -11.858 -1.111 1.00 0.00 N ATOM 318 CA SER A 22 5.679 -11.736 0.255 1.00 0.00 C ATOM 319 C SER A 22 6.779 -11.650 1.304 1.00 0.00 C ATOM 320 O SER A 22 6.550 -11.820 2.486 1.00 0.00 O ATOM 321 CB SER A 22 4.768 -12.929 0.560 1.00 0.00 C ATOM 322 OG SER A 22 5.552 -14.101 0.756 1.00 0.00 O ATOM 0 H SER A 22 6.324 -12.807 -1.483 1.00 0.00 H new ATOM 0 HA SER A 22 5.078 -10.827 0.281 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.174 -12.725 1.451 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.068 -13.082 -0.261 1.00 0.00 H new ATOM 0 HG SER A 22 6.289 -14.114 0.110 1.00 0.00 H new ATOM 328 N ARG A 23 7.973 -11.394 0.872 1.00 0.00 N ATOM 329 CA ARG A 23 9.121 -11.286 1.805 1.00 0.00 C ATOM 330 C ARG A 23 9.447 -9.793 1.960 1.00 0.00 C ATOM 331 O ARG A 23 8.863 -8.952 1.291 1.00 0.00 O ATOM 332 CB ARG A 23 10.303 -12.051 1.190 1.00 0.00 C ATOM 333 CG ARG A 23 11.322 -12.426 2.268 1.00 0.00 C ATOM 334 CD ARG A 23 12.492 -13.178 1.615 1.00 0.00 C ATOM 335 NE ARG A 23 13.310 -13.874 2.664 1.00 0.00 N ATOM 336 CZ ARG A 23 13.810 -13.238 3.690 1.00 0.00 C ATOM 337 NH1 ARG A 23 13.745 -11.937 3.770 1.00 0.00 N ATOM 338 NH2 ARG A 23 14.423 -13.913 4.621 1.00 0.00 N ATOM 0 H ARG A 23 8.209 -11.252 -0.110 1.00 0.00 H new ATOM 0 HA ARG A 23 8.902 -11.710 2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.942 -12.952 0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.782 -11.438 0.427 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.685 -11.529 2.770 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.852 -13.049 3.029 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.112 -13.905 0.898 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.118 -12.480 1.059 1.00 0.00 H new ATOM 0 HE ARG A 23 13.481 -14.875 2.573 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.299 -11.402 3.025 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.140 -11.455 4.578 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.508 -14.926 4.544 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.818 -13.428 5.427 1.00 0.00 H new ATOM 352 N GLU A 24 10.339 -9.450 2.845 1.00 0.00 N ATOM 353 CA GLU A 24 10.693 -8.008 3.028 1.00 0.00 C ATOM 354 C GLU A 24 11.387 -7.501 1.751 1.00 0.00 C ATOM 355 O GLU A 24 12.422 -8.011 1.373 1.00 0.00 O ATOM 356 CB GLU A 24 11.623 -7.861 4.249 1.00 0.00 C ATOM 357 CG GLU A 24 12.658 -8.998 4.272 1.00 0.00 C ATOM 358 CD GLU A 24 13.681 -8.752 5.385 1.00 0.00 C ATOM 359 OE1 GLU A 24 13.443 -7.877 6.202 1.00 0.00 O ATOM 360 OE2 GLU A 24 14.687 -9.442 5.397 1.00 0.00 O ATOM 0 H GLU A 24 10.840 -10.101 3.450 1.00 0.00 H new ATOM 0 HA GLU A 24 9.795 -7.416 3.204 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.132 -6.898 4.213 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.035 -7.877 5.167 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.158 -9.953 4.431 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.164 -9.060 3.309 1.00 0.00 H new ATOM 367 N CYS A 25 10.831 -6.514 1.058 1.00 0.00 N ATOM 368 CA CYS A 25 11.497 -6.024 -0.207 1.00 0.00 C ATOM 369 C CYS A 25 11.583 -4.496 -0.245 1.00 0.00 C ATOM 370 O CYS A 25 10.778 -3.796 0.341 1.00 0.00 O ATOM 371 CB CYS A 25 10.705 -6.529 -1.416 1.00 0.00 C ATOM 372 SG CYS A 25 11.055 -8.286 -1.657 1.00 0.00 S ATOM 0 H CYS A 25 9.964 -6.038 1.309 1.00 0.00 H new ATOM 0 HA CYS A 25 12.515 -6.412 -0.232 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.638 -6.376 -1.257 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.979 -5.965 -2.308 1.00 0.00 H new ATOM 0 HG CYS A 25 11.676 -8.752 -0.614 1.00 0.00 H new ATOM 378 N GLU A 26 12.557 -3.976 -0.952 1.00 0.00 N ATOM 379 CA GLU A 26 12.703 -2.496 -1.062 1.00 0.00 C ATOM 380 C GLU A 26 11.481 -1.946 -1.811 1.00 0.00 C ATOM 381 O GLU A 26 10.917 -2.626 -2.642 1.00 0.00 O ATOM 382 CB GLU A 26 13.986 -2.164 -1.843 1.00 0.00 C ATOM 383 CG GLU A 26 15.200 -2.762 -1.119 1.00 0.00 C ATOM 384 CD GLU A 26 16.493 -2.206 -1.724 1.00 0.00 C ATOM 385 OE1 GLU A 26 16.445 -1.108 -2.257 1.00 0.00 O ATOM 386 OE2 GLU A 26 17.508 -2.877 -1.631 1.00 0.00 O ATOM 0 H GLU A 26 13.258 -4.517 -1.458 1.00 0.00 H new ATOM 0 HA GLU A 26 12.767 -2.046 -0.071 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.921 -2.563 -2.855 1.00 0.00 H new ATOM 0 HB3 GLU A 26 14.100 -1.084 -1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.154 -2.525 -0.056 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.186 -3.849 -1.204 1.00 0.00 H new ATOM 393 N ILE A 27 11.054 -0.730 -1.535 1.00 0.00 N ATOM 394 CA ILE A 27 9.861 -0.175 -2.269 1.00 0.00 C ATOM 395 C ILE A 27 10.062 1.321 -2.582 1.00 0.00 C ATOM 396 O ILE A 27 10.776 2.037 -1.884 1.00 0.00 O ATOM 397 CB ILE A 27 8.580 -0.391 -1.449 1.00 0.00 C ATOM 398 CG1 ILE A 27 8.526 0.551 -0.233 1.00 0.00 C ATOM 399 CG2 ILE A 27 8.534 -1.839 -0.963 1.00 0.00 C ATOM 400 CD1 ILE A 27 7.215 0.341 0.552 1.00 0.00 C ATOM 0 H ILE A 27 11.472 -0.106 -0.845 1.00 0.00 H new ATOM 0 HA ILE A 27 9.759 -0.708 -3.214 1.00 0.00 H new ATOM 0 HB ILE A 27 7.724 -0.174 -2.088 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.381 0.365 0.417 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.597 1.587 -0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.627 -1.999 -0.380 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.537 -2.511 -1.821 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.405 -2.042 -0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.192 1.014 1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.365 0.551 -0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.160 -0.691 0.900 1.00 0.00 H new ATOM 412 N LYS A 28 9.426 1.798 -3.631 1.00 0.00 N ATOM 413 CA LYS A 28 9.566 3.234 -4.030 1.00 0.00 C ATOM 414 C LYS A 28 8.237 3.767 -4.577 1.00 0.00 C ATOM 415 O LYS A 28 7.617 3.167 -5.443 1.00 0.00 O ATOM 416 CB LYS A 28 10.646 3.318 -5.118 1.00 0.00 C ATOM 417 CG LYS A 28 10.938 4.772 -5.487 1.00 0.00 C ATOM 418 CD LYS A 28 12.163 4.816 -6.408 1.00 0.00 C ATOM 419 CE LYS A 28 11.855 4.103 -7.732 1.00 0.00 C ATOM 420 NZ LYS A 28 12.786 4.596 -8.786 1.00 0.00 N ATOM 0 H LYS A 28 8.812 1.247 -4.230 1.00 0.00 H new ATOM 0 HA LYS A 28 9.844 3.837 -3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.559 2.837 -4.767 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.319 2.773 -6.003 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.076 5.214 -5.986 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.122 5.359 -4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.445 5.851 -6.601 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.013 4.340 -5.919 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.962 3.025 -7.611 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.822 4.289 -8.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.580 4.114 -9.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.662 5.622 -8.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.767 4.396 -8.504 1.00 0.00 H new ATOM 434 N TYR A 29 7.796 4.897 -4.082 1.00 0.00 N ATOM 435 CA TYR A 29 6.516 5.481 -4.574 1.00 0.00 C ATOM 436 C TYR A 29 6.686 5.966 -6.017 1.00 0.00 C ATOM 437 O TYR A 29 7.761 6.368 -6.423 1.00 0.00 O ATOM 438 CB TYR A 29 6.121 6.659 -3.674 1.00 0.00 C ATOM 439 CG TYR A 29 4.960 7.416 -4.283 1.00 0.00 C ATOM 440 CD1 TYR A 29 3.751 6.761 -4.532 1.00 0.00 C ATOM 441 CD2 TYR A 29 5.096 8.778 -4.595 1.00 0.00 C ATOM 442 CE1 TYR A 29 2.680 7.461 -5.090 1.00 0.00 C ATOM 443 CE2 TYR A 29 4.023 9.478 -5.153 1.00 0.00 C ATOM 444 CZ TYR A 29 2.813 8.820 -5.401 1.00 0.00 C ATOM 445 OH TYR A 29 1.753 9.511 -5.952 1.00 0.00 O ATOM 0 H TYR A 29 8.269 5.438 -3.358 1.00 0.00 H new ATOM 0 HA TYR A 29 5.735 4.721 -4.546 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.847 6.294 -2.684 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.972 7.328 -3.543 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.645 5.713 -4.293 1.00 0.00 H new ATOM 0 HD2 TYR A 29 6.030 9.285 -4.404 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.746 6.953 -5.282 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.127 10.526 -5.393 1.00 0.00 H new ATOM 0 HH TYR A 29 2.014 10.443 -6.105 1.00 0.00 H new ATOM 455 N THR A 30 5.634 5.943 -6.797 1.00 0.00 N ATOM 456 CA THR A 30 5.756 6.416 -8.207 1.00 0.00 C ATOM 457 C THR A 30 5.828 7.953 -8.208 1.00 0.00 C ATOM 458 O THR A 30 5.014 8.614 -7.598 1.00 0.00 O ATOM 459 CB THR A 30 4.527 5.967 -9.012 1.00 0.00 C ATOM 460 OG1 THR A 30 4.312 4.571 -8.827 1.00 0.00 O ATOM 461 CG2 THR A 30 4.748 6.260 -10.498 1.00 0.00 C ATOM 0 H THR A 30 4.706 5.621 -6.521 1.00 0.00 H new ATOM 0 HA THR A 30 6.655 5.997 -8.659 1.00 0.00 H new ATOM 0 HB THR A 30 3.652 6.514 -8.662 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.227 4.377 -7.870 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.874 5.940 -11.066 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.901 7.330 -10.639 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.627 5.719 -10.849 1.00 0.00 H new ATOM 469 N GLY A 31 6.801 8.520 -8.880 1.00 0.00 N ATOM 470 CA GLY A 31 6.935 10.014 -8.921 1.00 0.00 C ATOM 471 C GLY A 31 8.232 10.379 -9.655 1.00 0.00 C ATOM 472 O GLY A 31 9.106 9.552 -9.826 1.00 0.00 O ATOM 0 H GLY A 31 7.512 8.011 -9.405 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.078 10.455 -9.429 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.948 10.419 -7.909 1.00 0.00 H new ATOM 476 N PHE A 32 8.371 11.608 -10.103 1.00 0.00 N ATOM 477 CA PHE A 32 9.621 11.995 -10.837 1.00 0.00 C ATOM 478 C PHE A 32 10.677 12.558 -9.872 1.00 0.00 C ATOM 479 O PHE A 32 10.675 13.723 -9.529 1.00 0.00 O ATOM 480 CB PHE A 32 9.288 13.034 -11.910 1.00 0.00 C ATOM 481 CG PHE A 32 8.314 12.442 -12.912 1.00 0.00 C ATOM 482 CD1 PHE A 32 8.697 11.349 -13.707 1.00 0.00 C ATOM 483 CD2 PHE A 32 7.030 12.987 -13.050 1.00 0.00 C ATOM 484 CE1 PHE A 32 7.797 10.804 -14.633 1.00 0.00 C ATOM 485 CE2 PHE A 32 6.133 12.441 -13.975 1.00 0.00 C ATOM 486 CZ PHE A 32 6.515 11.351 -14.765 1.00 0.00 C ATOM 0 H PHE A 32 7.681 12.351 -9.994 1.00 0.00 H new ATOM 0 HA PHE A 32 10.033 11.103 -11.308 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.855 13.921 -11.448 1.00 0.00 H new ATOM 0 HB3 PHE A 32 10.199 13.351 -12.418 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.686 10.928 -13.605 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.733 13.829 -12.442 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.092 9.963 -15.244 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.144 12.862 -14.079 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.820 10.931 -15.477 1.00 0.00 H new ATOM 496 N ARG A 33 11.590 11.723 -9.461 1.00 0.00 N ATOM 497 CA ARG A 33 12.689 12.152 -8.542 1.00 0.00 C ATOM 498 C ARG A 33 13.524 13.263 -9.189 1.00 0.00 C ATOM 499 O ARG A 33 14.359 13.877 -8.547 1.00 0.00 O ATOM 500 CB ARG A 33 13.599 10.959 -8.260 1.00 0.00 C ATOM 501 CG ARG A 33 12.825 9.867 -7.521 1.00 0.00 C ATOM 502 CD ARG A 33 13.806 8.785 -7.076 1.00 0.00 C ATOM 503 NE ARG A 33 14.490 8.216 -8.268 1.00 0.00 N ATOM 504 CZ ARG A 33 15.604 7.561 -8.122 1.00 0.00 C ATOM 505 NH1 ARG A 33 16.110 7.398 -6.932 1.00 0.00 N ATOM 506 NH2 ARG A 33 16.219 7.076 -9.167 1.00 0.00 N ATOM 0 H ARG A 33 11.624 10.739 -9.728 1.00 0.00 H new ATOM 0 HA ARG A 33 12.248 12.525 -7.617 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.994 10.565 -9.196 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.453 11.277 -7.662 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.310 10.288 -6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.061 9.440 -8.171 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.540 9.205 -6.388 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.277 7.999 -6.537 1.00 0.00 H new ATOM 0 HE ARG A 33 14.087 8.339 -9.197 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.632 7.784 -6.117 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.984 6.885 -6.815 1.00 0.00 H new ATOM 0 HH21 ARG A 33 15.826 7.211 -10.098 1.00 0.00 H new ATOM 0 HH22 ARG A 33 17.093 6.562 -9.052 1.00 0.00 H new ATOM 520 N ASP A 34 13.347 13.500 -10.462 1.00 0.00 N ATOM 521 CA ASP A 34 14.172 14.535 -11.150 1.00 0.00 C ATOM 522 C ASP A 34 13.664 15.930 -10.805 1.00 0.00 C ATOM 523 O ASP A 34 14.248 16.927 -11.187 1.00 0.00 O ATOM 524 CB ASP A 34 14.086 14.324 -12.666 1.00 0.00 C ATOM 525 CG ASP A 34 12.664 14.622 -13.156 1.00 0.00 C ATOM 526 OD1 ASP A 34 11.828 14.954 -12.332 1.00 0.00 O ATOM 527 OD2 ASP A 34 12.439 14.506 -14.351 1.00 0.00 O ATOM 0 H ASP A 34 12.668 13.022 -11.054 1.00 0.00 H new ATOM 0 HA ASP A 34 15.207 14.443 -10.819 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.798 14.975 -13.173 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.358 13.298 -12.915 1.00 0.00 H new ATOM 532 N ARG A 35 12.602 16.015 -10.057 1.00 0.00 N ATOM 533 CA ARG A 35 12.088 17.351 -9.654 1.00 0.00 C ATOM 534 C ARG A 35 12.841 17.778 -8.395 1.00 0.00 C ATOM 535 O ARG A 35 13.227 16.937 -7.606 1.00 0.00 O ATOM 536 CB ARG A 35 10.588 17.263 -9.367 1.00 0.00 C ATOM 537 CG ARG A 35 9.806 17.128 -10.684 1.00 0.00 C ATOM 538 CD ARG A 35 9.882 18.431 -11.501 1.00 0.00 C ATOM 539 NE ARG A 35 8.678 18.532 -12.373 1.00 0.00 N ATOM 540 CZ ARG A 35 8.405 19.648 -12.995 1.00 0.00 C ATOM 541 NH1 ARG A 35 9.187 20.686 -12.861 1.00 0.00 N ATOM 542 NH2 ARG A 35 7.350 19.723 -13.758 1.00 0.00 N ATOM 0 H ARG A 35 12.068 15.219 -9.708 1.00 0.00 H new ATOM 0 HA ARG A 35 12.241 18.079 -10.451 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.382 16.408 -8.723 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.260 18.153 -8.829 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.211 16.302 -11.269 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.765 16.887 -10.471 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.935 19.291 -10.833 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.787 18.442 -12.108 1.00 0.00 H new ATOM 0 HE ARG A 35 8.064 17.726 -12.485 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.015 20.627 -12.269 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.969 21.555 -13.349 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.741 18.912 -13.868 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.134 20.593 -14.245 1.00 0.00 H new ATOM 556 N PRO A 36 13.067 19.055 -8.193 1.00 0.00 N ATOM 557 CA PRO A 36 13.791 19.532 -6.986 1.00 0.00 C ATOM 558 C PRO A 36 13.335 18.790 -5.724 1.00 0.00 C ATOM 559 O PRO A 36 12.403 18.008 -5.745 1.00 0.00 O ATOM 560 CB PRO A 36 13.433 21.018 -6.916 1.00 0.00 C ATOM 561 CG PRO A 36 13.191 21.425 -8.337 1.00 0.00 C ATOM 562 CD PRO A 36 12.674 20.176 -9.072 1.00 0.00 C ATOM 0 HA PRO A 36 14.865 19.357 -7.046 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.547 21.182 -6.302 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.241 21.598 -6.471 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.463 22.234 -8.389 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.109 21.792 -8.796 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.594 20.214 -9.212 1.00 0.00 H new ATOM 0 HD3 PRO A 36 13.120 20.082 -10.062 1.00 0.00 H new ATOM 570 N HIS A 37 13.976 19.025 -4.624 1.00 0.00 N ATOM 571 CA HIS A 37 13.579 18.323 -3.376 1.00 0.00 C ATOM 572 C HIS A 37 12.114 18.636 -3.080 1.00 0.00 C ATOM 573 O HIS A 37 11.509 18.043 -2.214 1.00 0.00 O ATOM 574 CB HIS A 37 14.456 18.811 -2.225 1.00 0.00 C ATOM 575 CG HIS A 37 15.909 18.547 -2.536 1.00 0.00 C ATOM 576 ND1 HIS A 37 16.435 17.266 -2.614 1.00 0.00 N ATOM 577 CD2 HIS A 37 16.963 19.397 -2.771 1.00 0.00 C ATOM 578 CE1 HIS A 37 17.752 17.382 -2.877 1.00 0.00 C ATOM 579 NE2 HIS A 37 18.124 18.659 -2.984 1.00 0.00 N ATOM 0 H HIS A 37 14.759 19.672 -4.531 1.00 0.00 H new ATOM 0 HA HIS A 37 13.706 17.247 -3.492 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.298 19.877 -2.063 1.00 0.00 H new ATOM 0 HB3 HIS A 37 14.175 18.304 -1.302 1.00 0.00 H new ATOM 0 HD2 HIS A 37 16.900 20.475 -2.788 1.00 0.00 H new ATOM 0 HE1 HIS A 37 18.424 16.544 -2.988 1.00 0.00 H new ATOM 0 HE2 HIS A 37 19.059 19.018 -3.180 1.00 0.00 H new ATOM 587 N GLU A 38 11.535 19.566 -3.793 1.00 0.00 N ATOM 588 CA GLU A 38 10.101 19.902 -3.543 1.00 0.00 C ATOM 589 C GLU A 38 9.224 18.669 -3.774 1.00 0.00 C ATOM 590 O GLU A 38 8.065 18.649 -3.412 1.00 0.00 O ATOM 591 CB GLU A 38 9.656 21.042 -4.467 1.00 0.00 C ATOM 592 CG GLU A 38 9.602 20.558 -5.918 1.00 0.00 C ATOM 593 CD GLU A 38 9.446 21.764 -6.851 1.00 0.00 C ATOM 594 OE1 GLU A 38 9.147 22.841 -6.357 1.00 0.00 O ATOM 595 OE2 GLU A 38 9.630 21.590 -8.046 1.00 0.00 O ATOM 0 H GLU A 38 11.988 20.104 -4.532 1.00 0.00 H new ATOM 0 HA GLU A 38 9.992 20.225 -2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.675 21.406 -4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.348 21.880 -4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.511 20.009 -6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.768 19.870 -6.053 1.00 0.00 H new ATOM 602 N GLU A 39 9.754 17.651 -4.391 1.00 0.00 N ATOM 603 CA GLU A 39 8.937 16.441 -4.663 1.00 0.00 C ATOM 604 C GLU A 39 8.637 15.691 -3.364 1.00 0.00 C ATOM 605 O GLU A 39 7.627 15.037 -3.239 1.00 0.00 O ATOM 606 CB GLU A 39 9.730 15.534 -5.595 1.00 0.00 C ATOM 607 CG GLU A 39 10.958 14.979 -4.854 1.00 0.00 C ATOM 608 CD GLU A 39 11.994 14.499 -5.870 1.00 0.00 C ATOM 609 OE1 GLU A 39 11.758 14.674 -7.053 1.00 0.00 O ATOM 610 OE2 GLU A 39 13.008 13.976 -5.449 1.00 0.00 O ATOM 0 H GLU A 39 10.719 17.606 -4.718 1.00 0.00 H new ATOM 0 HA GLU A 39 7.991 16.734 -5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.101 14.714 -5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.046 16.090 -6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.390 15.750 -4.216 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.662 14.156 -4.204 1.00 0.00 H new ATOM 617 N ARG A 40 9.494 15.760 -2.393 1.00 0.00 N ATOM 618 CA ARG A 40 9.197 15.017 -1.141 1.00 0.00 C ATOM 619 C ARG A 40 7.941 15.609 -0.482 1.00 0.00 C ATOM 620 O ARG A 40 7.002 14.904 -0.166 1.00 0.00 O ATOM 621 CB ARG A 40 10.405 15.111 -0.196 1.00 0.00 C ATOM 622 CG ARG A 40 10.510 16.517 0.405 1.00 0.00 C ATOM 623 CD ARG A 40 11.887 16.704 1.035 1.00 0.00 C ATOM 624 NE ARG A 40 11.918 18.007 1.758 1.00 0.00 N ATOM 625 CZ ARG A 40 12.913 18.287 2.553 1.00 0.00 C ATOM 626 NH1 ARG A 40 13.876 17.424 2.717 1.00 0.00 N ATOM 627 NH2 ARG A 40 12.950 19.429 3.178 1.00 0.00 N ATOM 0 H ARG A 40 10.368 16.285 -2.406 1.00 0.00 H new ATOM 0 HA ARG A 40 9.010 13.967 -1.364 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.308 14.375 0.602 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.319 14.873 -0.740 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.348 17.267 -0.369 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.733 16.661 1.156 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.100 15.886 1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.659 16.682 0.266 1.00 0.00 H new ATOM 0 HE ARG A 40 11.161 18.679 1.631 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.850 16.531 2.224 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.655 17.641 3.338 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.199 20.107 3.046 1.00 0.00 H new ATOM 0 HH22 ARG A 40 13.730 19.645 3.799 1.00 0.00 H new ATOM 641 N GLN A 41 7.908 16.901 -0.286 1.00 0.00 N ATOM 642 CA GLN A 41 6.717 17.525 0.349 1.00 0.00 C ATOM 643 C GLN A 41 5.544 17.590 -0.616 1.00 0.00 C ATOM 644 O GLN A 41 4.433 17.273 -0.264 1.00 0.00 O ATOM 645 CB GLN A 41 7.070 18.939 0.820 1.00 0.00 C ATOM 646 CG GLN A 41 7.547 19.799 -0.356 1.00 0.00 C ATOM 647 CD GLN A 41 8.132 21.106 0.186 1.00 0.00 C ATOM 648 OE1 GLN A 41 8.831 21.104 1.180 1.00 0.00 O ATOM 649 NE2 GLN A 41 7.871 22.230 -0.423 1.00 0.00 N ATOM 0 H GLN A 41 8.655 17.548 -0.539 1.00 0.00 H new ATOM 0 HA GLN A 41 6.424 16.909 1.199 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.199 19.401 1.285 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.849 18.890 1.581 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.298 19.262 -0.935 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.716 20.009 -1.030 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.284 22.234 -1.258 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.254 23.105 -0.065 1.00 0.00 H new ATOM 658 N THR A 42 5.762 18.033 -1.812 1.00 0.00 N ATOM 659 CA THR A 42 4.625 18.161 -2.754 1.00 0.00 C ATOM 660 C THR A 42 3.957 16.810 -2.988 1.00 0.00 C ATOM 661 O THR A 42 2.748 16.707 -3.024 1.00 0.00 O ATOM 662 CB THR A 42 5.138 18.740 -4.071 1.00 0.00 C ATOM 663 OG1 THR A 42 5.773 19.987 -3.821 1.00 0.00 O ATOM 664 CG2 THR A 42 3.969 18.953 -5.025 1.00 0.00 C ATOM 0 H THR A 42 6.672 18.311 -2.179 1.00 0.00 H new ATOM 0 HA THR A 42 3.877 18.828 -2.326 1.00 0.00 H new ATOM 0 HB THR A 42 5.851 18.047 -4.518 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.720 19.837 -3.616 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.337 19.366 -5.964 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.477 17.999 -5.216 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.256 19.646 -4.578 1.00 0.00 H new ATOM 672 N ARG A 43 4.705 15.767 -3.130 1.00 0.00 N ATOM 673 CA ARG A 43 4.054 14.448 -3.337 1.00 0.00 C ATOM 674 C ARG A 43 3.166 14.067 -2.150 1.00 0.00 C ATOM 675 O ARG A 43 2.088 13.536 -2.332 1.00 0.00 O ATOM 676 CB ARG A 43 5.118 13.380 -3.541 1.00 0.00 C ATOM 677 CG ARG A 43 5.784 13.581 -4.904 1.00 0.00 C ATOM 678 CD ARG A 43 6.852 12.498 -5.101 1.00 0.00 C ATOM 679 NE ARG A 43 7.692 12.797 -6.307 1.00 0.00 N ATOM 680 CZ ARG A 43 7.167 13.000 -7.485 1.00 0.00 C ATOM 681 NH1 ARG A 43 5.901 12.770 -7.700 1.00 0.00 N ATOM 682 NH2 ARG A 43 7.934 13.377 -8.471 1.00 0.00 N ATOM 0 H ARG A 43 5.725 15.762 -3.113 1.00 0.00 H new ATOM 0 HA ARG A 43 3.422 14.519 -4.222 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.863 13.437 -2.748 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.669 12.388 -3.486 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.040 13.525 -5.699 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.237 14.571 -4.960 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.485 12.439 -4.216 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.374 11.525 -5.216 1.00 0.00 H new ATOM 0 HE ARG A 43 8.706 12.843 -6.204 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.309 12.428 -6.943 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.503 12.933 -8.625 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.934 13.510 -8.317 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.534 13.538 -9.395 1.00 0.00 H new ATOM 696 N PHE A 44 3.603 14.288 -0.935 1.00 0.00 N ATOM 697 CA PHE A 44 2.748 13.879 0.210 1.00 0.00 C ATOM 698 C PHE A 44 1.396 14.592 0.173 1.00 0.00 C ATOM 699 O PHE A 44 0.370 13.963 0.305 1.00 0.00 O ATOM 700 CB PHE A 44 3.451 14.152 1.553 1.00 0.00 C ATOM 701 CG PHE A 44 4.652 13.229 1.717 1.00 0.00 C ATOM 702 CD1 PHE A 44 4.503 11.834 1.632 1.00 0.00 C ATOM 703 CD2 PHE A 44 5.926 13.774 1.917 1.00 0.00 C ATOM 704 CE1 PHE A 44 5.625 11.000 1.748 1.00 0.00 C ATOM 705 CE2 PHE A 44 7.043 12.941 2.026 1.00 0.00 C ATOM 706 CZ PHE A 44 6.893 11.554 1.940 1.00 0.00 C ATOM 0 H PHE A 44 4.493 14.723 -0.694 1.00 0.00 H new ATOM 0 HA PHE A 44 2.576 12.806 0.120 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.774 15.192 1.598 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.752 14.000 2.375 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.524 11.404 1.477 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.046 14.845 1.988 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.508 9.928 1.689 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.023 13.369 2.177 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.757 10.911 2.022 1.00 0.00 H new ATOM 716 N GLN A 45 1.358 15.886 -0.001 1.00 0.00 N ATOM 717 CA GLN A 45 0.018 16.551 -0.023 1.00 0.00 C ATOM 718 C GLN A 45 -0.757 16.150 -1.286 1.00 0.00 C ATOM 719 O GLN A 45 -1.861 15.655 -1.199 1.00 0.00 O ATOM 720 CB GLN A 45 0.156 18.092 0.061 1.00 0.00 C ATOM 721 CG GLN A 45 1.463 18.571 -0.605 1.00 0.00 C ATOM 722 CD GLN A 45 2.545 18.851 0.451 1.00 0.00 C ATOM 723 OE1 GLN A 45 3.151 19.904 0.451 1.00 0.00 O ATOM 724 NE2 GLN A 45 2.819 17.943 1.352 1.00 0.00 N ATOM 0 H GLN A 45 2.166 16.496 -0.125 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.539 16.216 0.852 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.698 18.564 -0.426 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.140 18.405 1.105 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.818 17.814 -1.304 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.271 19.475 -1.184 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.312 17.058 1.355 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.540 18.120 2.052 1.00 0.00 H new ATOM 733 N ASN A 46 -0.212 16.356 -2.458 1.00 0.00 N ATOM 734 CA ASN A 46 -0.979 15.975 -3.681 1.00 0.00 C ATOM 735 C ASN A 46 -1.298 14.482 -3.668 1.00 0.00 C ATOM 736 O ASN A 46 -2.282 14.053 -4.231 1.00 0.00 O ATOM 737 CB ASN A 46 -0.213 16.346 -4.958 1.00 0.00 C ATOM 738 CG ASN A 46 1.090 15.552 -5.062 1.00 0.00 C ATOM 739 OD1 ASN A 46 2.145 16.134 -5.195 1.00 0.00 O ATOM 740 ND2 ASN A 46 1.062 14.246 -5.042 1.00 0.00 N ATOM 0 H ASN A 46 0.710 16.762 -2.620 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.914 16.535 -3.676 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.835 16.148 -5.831 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.006 17.414 -4.958 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.928 13.716 -5.138 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.174 13.757 -4.930 1.00 0.00 H new ATOM 747 N ALA A 47 -0.504 13.678 -3.027 1.00 0.00 N ATOM 748 CA ALA A 47 -0.817 12.217 -3.003 1.00 0.00 C ATOM 749 C ALA A 47 -1.795 11.926 -1.863 1.00 0.00 C ATOM 750 O ALA A 47 -2.589 11.008 -1.939 1.00 0.00 O ATOM 751 CB ALA A 47 0.460 11.401 -2.788 1.00 0.00 C ATOM 0 H ALA A 47 0.338 13.958 -2.524 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.261 11.938 -3.958 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.215 10.339 -2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.160 11.600 -3.599 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.916 11.682 -1.838 1.00 0.00 H new ATOM 757 N CYS A 48 -1.756 12.691 -0.800 1.00 0.00 N ATOM 758 CA CYS A 48 -2.702 12.424 0.316 1.00 0.00 C ATOM 759 C CYS A 48 -4.138 12.717 -0.130 1.00 0.00 C ATOM 760 O CYS A 48 -5.037 11.943 0.142 1.00 0.00 O ATOM 761 CB CYS A 48 -2.356 13.287 1.529 1.00 0.00 C ATOM 762 SG CYS A 48 -2.886 14.995 1.249 1.00 0.00 S ATOM 0 H CYS A 48 -1.119 13.476 -0.661 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.618 11.374 0.594 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.842 12.888 2.419 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.282 13.257 1.712 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.478 15.390 0.080 1.00 0.00 H new ATOM 768 N ARG A 49 -4.388 13.799 -0.834 1.00 0.00 N ATOM 769 CA ARG A 49 -5.792 14.027 -1.267 1.00 0.00 C ATOM 770 C ARG A 49 -6.185 12.852 -2.162 1.00 0.00 C ATOM 771 O ARG A 49 -7.180 12.191 -1.932 1.00 0.00 O ATOM 772 CB ARG A 49 -5.941 15.374 -1.995 1.00 0.00 C ATOM 773 CG ARG A 49 -4.625 15.760 -2.695 1.00 0.00 C ATOM 774 CD ARG A 49 -4.889 16.746 -3.865 1.00 0.00 C ATOM 775 NE ARG A 49 -3.912 17.887 -3.815 1.00 0.00 N ATOM 776 CZ ARG A 49 -3.798 18.650 -2.758 1.00 0.00 C ATOM 777 NH1 ARG A 49 -4.620 18.512 -1.751 1.00 0.00 N ATOM 778 NH2 ARG A 49 -2.881 19.578 -2.721 1.00 0.00 N ATOM 0 H ARG A 49 -3.707 14.504 -1.115 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.456 14.079 -0.404 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.744 15.310 -2.729 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.221 16.150 -1.282 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.946 16.217 -1.975 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.133 14.864 -3.073 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.800 16.223 -4.817 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.908 17.128 -3.805 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.322 18.072 -4.626 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.356 17.806 -1.786 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.526 19.110 -0.930 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.254 19.708 -3.515 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.791 20.173 -1.898 1.00 0.00 H new ATOM 792 N ASP A 50 -5.365 12.531 -3.125 1.00 0.00 N ATOM 793 CA ASP A 50 -5.643 11.338 -3.972 1.00 0.00 C ATOM 794 C ASP A 50 -4.863 10.192 -3.336 1.00 0.00 C ATOM 795 O ASP A 50 -3.731 9.914 -3.674 1.00 0.00 O ATOM 796 CB ASP A 50 -5.193 11.583 -5.424 1.00 0.00 C ATOM 797 CG ASP A 50 -4.031 12.566 -5.447 1.00 0.00 C ATOM 798 OD1 ASP A 50 -4.290 13.748 -5.326 1.00 0.00 O ATOM 799 OD2 ASP A 50 -2.904 12.121 -5.592 1.00 0.00 O ATOM 0 H ASP A 50 -4.515 13.043 -3.361 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.709 11.113 -4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.894 10.642 -5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.024 11.975 -6.010 1.00 0.00 H new ATOM 804 N GLY A 51 -5.468 9.563 -2.379 1.00 0.00 N ATOM 805 CA GLY A 51 -4.797 8.462 -1.639 1.00 0.00 C ATOM 806 C GLY A 51 -4.610 7.250 -2.544 1.00 0.00 C ATOM 807 O GLY A 51 -4.364 6.150 -2.081 1.00 0.00 O ATOM 0 H GLY A 51 -6.418 9.767 -2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.829 8.801 -1.270 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.391 8.185 -0.768 1.00 0.00 H new ATOM 811 N ARG A 52 -4.708 7.435 -3.832 1.00 0.00 N ATOM 812 CA ARG A 52 -4.518 6.284 -4.752 1.00 0.00 C ATOM 813 C ARG A 52 -3.032 6.244 -5.101 1.00 0.00 C ATOM 814 O ARG A 52 -2.595 6.748 -6.119 1.00 0.00 O ATOM 815 CB ARG A 52 -5.369 6.510 -6.014 1.00 0.00 C ATOM 816 CG ARG A 52 -6.840 6.687 -5.612 1.00 0.00 C ATOM 817 CD ARG A 52 -7.705 6.905 -6.862 1.00 0.00 C ATOM 818 NE ARG A 52 -7.191 8.085 -7.627 1.00 0.00 N ATOM 819 CZ ARG A 52 -7.635 8.333 -8.833 1.00 0.00 C ATOM 820 NH1 ARG A 52 -8.555 7.570 -9.358 1.00 0.00 N ATOM 821 NH2 ARG A 52 -7.167 9.349 -9.514 1.00 0.00 N ATOM 0 H ARG A 52 -4.910 8.328 -4.282 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.826 5.341 -4.300 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.018 7.392 -6.549 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.265 5.663 -6.692 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.186 5.807 -5.070 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.941 7.537 -4.937 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.685 6.015 -7.490 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.743 7.069 -6.574 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.492 8.698 -7.207 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.927 6.782 -8.828 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.902 7.762 -10.298 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.453 9.952 -9.105 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.517 9.538 -10.453 1.00 0.00 H new ATOM 835 N SER A 53 -2.248 5.667 -4.225 1.00 0.00 N ATOM 836 CA SER A 53 -0.778 5.607 -4.455 1.00 0.00 C ATOM 837 C SER A 53 -0.402 4.429 -5.336 1.00 0.00 C ATOM 838 O SER A 53 -0.852 3.321 -5.128 1.00 0.00 O ATOM 839 CB SER A 53 -0.048 5.449 -3.124 1.00 0.00 C ATOM 840 OG SER A 53 1.355 5.487 -3.356 1.00 0.00 O ATOM 0 H SER A 53 -2.567 5.234 -3.358 1.00 0.00 H new ATOM 0 HA SER A 53 -0.489 6.535 -4.949 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.338 6.246 -2.439 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.326 4.507 -2.652 1.00 0.00 H new ATOM 0 HG SER A 53 1.616 6.389 -3.636 1.00 0.00 H new ATOM 846 N GLU A 54 0.481 4.646 -6.269 1.00 0.00 N ATOM 847 CA GLU A 54 0.970 3.532 -7.123 1.00 0.00 C ATOM 848 C GLU A 54 2.413 3.297 -6.696 1.00 0.00 C ATOM 849 O GLU A 54 3.206 4.216 -6.654 1.00 0.00 O ATOM 850 CB GLU A 54 0.903 3.947 -8.588 1.00 0.00 C ATOM 851 CG GLU A 54 -0.546 4.267 -8.953 1.00 0.00 C ATOM 852 CD GLU A 54 -0.598 4.753 -10.398 1.00 0.00 C ATOM 853 OE1 GLU A 54 0.240 5.568 -10.753 1.00 0.00 O ATOM 854 OE2 GLU A 54 -1.466 4.303 -11.125 1.00 0.00 O ATOM 0 H GLU A 54 0.888 5.558 -6.478 1.00 0.00 H new ATOM 0 HA GLU A 54 0.371 2.628 -7.012 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.535 4.818 -8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.282 3.146 -9.223 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.169 3.381 -8.831 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.943 5.031 -8.284 1.00 0.00 H new ATOM 861 N ILE A 55 2.758 2.097 -6.331 1.00 0.00 N ATOM 862 CA ILE A 55 4.144 1.841 -5.852 1.00 0.00 C ATOM 863 C ILE A 55 4.548 0.430 -6.234 1.00 0.00 C ATOM 864 O ILE A 55 3.710 -0.414 -6.485 1.00 0.00 O ATOM 865 CB ILE A 55 4.180 2.038 -4.331 1.00 0.00 C ATOM 866 CG1 ILE A 55 5.473 1.453 -3.716 1.00 0.00 C ATOM 867 CG2 ILE A 55 2.952 1.375 -3.696 1.00 0.00 C ATOM 868 CD1 ILE A 55 5.830 2.204 -2.416 1.00 0.00 C ATOM 0 H ILE A 55 2.143 1.283 -6.343 1.00 0.00 H new ATOM 0 HA ILE A 55 4.849 2.534 -6.311 1.00 0.00 H new ATOM 0 HB ILE A 55 4.167 3.109 -4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.337 0.392 -3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.293 1.535 -4.429 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.980 1.516 -2.616 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.046 1.828 -4.098 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.956 0.309 -3.923 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.742 1.784 -1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.986 3.260 -2.637 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.015 2.099 -1.700 1.00 0.00 H new ATOM 880 N ALA A 56 5.824 0.177 -6.323 1.00 0.00 N ATOM 881 CA ALA A 56 6.275 -1.191 -6.742 1.00 0.00 C ATOM 882 C ALA A 56 7.530 -1.624 -5.994 1.00 0.00 C ATOM 883 O ALA A 56 8.193 -0.837 -5.347 1.00 0.00 O ATOM 884 CB ALA A 56 6.580 -1.160 -8.243 1.00 0.00 C ATOM 0 H ALA A 56 6.570 0.845 -6.128 1.00 0.00 H new ATOM 0 HA ALA A 56 5.482 -1.903 -6.512 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.910 -2.147 -8.568 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.681 -0.880 -8.791 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.367 -0.432 -8.439 1.00 0.00 H new ATOM 890 N PHE A 57 7.881 -2.880 -6.115 1.00 0.00 N ATOM 891 CA PHE A 57 9.116 -3.361 -5.449 1.00 0.00 C ATOM 892 C PHE A 57 10.269 -2.995 -6.373 1.00 0.00 C ATOM 893 O PHE A 57 10.321 -3.430 -7.497 1.00 0.00 O ATOM 894 CB PHE A 57 9.093 -4.894 -5.304 1.00 0.00 C ATOM 895 CG PHE A 57 7.956 -5.348 -4.409 1.00 0.00 C ATOM 896 CD1 PHE A 57 8.025 -5.140 -3.027 1.00 0.00 C ATOM 897 CD2 PHE A 57 6.847 -6.008 -4.959 1.00 0.00 C ATOM 898 CE1 PHE A 57 6.984 -5.583 -2.197 1.00 0.00 C ATOM 899 CE2 PHE A 57 5.810 -6.452 -4.127 1.00 0.00 C ATOM 900 CZ PHE A 57 5.880 -6.237 -2.748 1.00 0.00 C ATOM 0 H PHE A 57 7.366 -3.584 -6.644 1.00 0.00 H new ATOM 0 HA PHE A 57 9.209 -2.917 -4.458 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.989 -5.353 -6.287 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.042 -5.236 -4.891 1.00 0.00 H new ATOM 0 HD1 PHE A 57 8.880 -4.638 -2.599 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.792 -6.174 -6.025 1.00 0.00 H new ATOM 0 HE1 PHE A 57 7.037 -5.418 -1.131 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.957 -6.960 -4.552 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.079 -6.577 -2.108 1.00 0.00 H new ATOM 910 N VAL A 58 11.194 -2.202 -5.929 1.00 0.00 N ATOM 911 CA VAL A 58 12.314 -1.836 -6.832 1.00 0.00 C ATOM 912 C VAL A 58 13.049 -3.120 -7.257 1.00 0.00 C ATOM 913 O VAL A 58 13.478 -3.254 -8.385 1.00 0.00 O ATOM 914 CB VAL A 58 13.283 -0.874 -6.124 1.00 0.00 C ATOM 915 CG1 VAL A 58 14.434 -0.528 -7.071 1.00 0.00 C ATOM 916 CG2 VAL A 58 12.554 0.424 -5.729 1.00 0.00 C ATOM 0 H VAL A 58 11.226 -1.795 -4.994 1.00 0.00 H new ATOM 0 HA VAL A 58 11.921 -1.330 -7.714 1.00 0.00 H new ATOM 0 HB VAL A 58 13.666 -1.358 -5.226 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.123 0.154 -6.572 1.00 0.00 H new ATOM 0 HG12 VAL A 58 14.963 -1.440 -7.349 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.037 -0.051 -7.967 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.252 1.095 -5.229 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.163 0.908 -6.624 1.00 0.00 H new ATOM 0 HG23 VAL A 58 11.731 0.188 -5.054 1.00 0.00 H new ATOM 926 N ALA A 59 13.198 -4.065 -6.364 1.00 0.00 N ATOM 927 CA ALA A 59 13.911 -5.340 -6.709 1.00 0.00 C ATOM 928 C ALA A 59 13.235 -6.049 -7.890 1.00 0.00 C ATOM 929 O ALA A 59 13.899 -6.625 -8.732 1.00 0.00 O ATOM 930 CB ALA A 59 13.878 -6.285 -5.505 1.00 0.00 C ATOM 0 H ALA A 59 12.856 -4.011 -5.405 1.00 0.00 H new ATOM 0 HA ALA A 59 14.937 -5.088 -6.979 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.396 -7.211 -5.755 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.372 -5.811 -4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.843 -6.507 -5.245 1.00 0.00 H new ATOM 936 N THR A 60 11.926 -6.043 -7.939 1.00 0.00 N ATOM 937 CA THR A 60 11.187 -6.744 -9.046 1.00 0.00 C ATOM 938 C THR A 60 10.343 -5.740 -9.839 1.00 0.00 C ATOM 939 O THR A 60 9.835 -4.777 -9.306 1.00 0.00 O ATOM 940 CB THR A 60 10.267 -7.813 -8.444 1.00 0.00 C ATOM 941 OG1 THR A 60 11.014 -8.630 -7.554 1.00 0.00 O ATOM 942 CG2 THR A 60 9.688 -8.687 -9.557 1.00 0.00 C ATOM 0 H THR A 60 11.328 -5.579 -7.255 1.00 0.00 H new ATOM 0 HA THR A 60 11.910 -7.209 -9.716 1.00 0.00 H new ATOM 0 HB THR A 60 9.454 -7.324 -7.907 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.737 -9.564 -7.657 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.035 -9.444 -9.123 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.115 -8.066 -10.246 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.500 -9.174 -10.097 1.00 0.00 H new ATOM 950 N GLY A 61 10.193 -5.967 -11.117 1.00 0.00 N ATOM 951 CA GLY A 61 9.383 -5.040 -11.963 1.00 0.00 C ATOM 952 C GLY A 61 7.904 -5.188 -11.611 1.00 0.00 C ATOM 953 O GLY A 61 7.054 -4.484 -12.125 1.00 0.00 O ATOM 0 H GLY A 61 10.599 -6.759 -11.615 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.704 -4.011 -11.803 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.540 -5.263 -13.018 1.00 0.00 H new ATOM 957 N THR A 62 7.593 -6.093 -10.722 1.00 0.00 N ATOM 958 CA THR A 62 6.176 -6.284 -10.317 1.00 0.00 C ATOM 959 C THR A 62 5.708 -5.027 -9.582 1.00 0.00 C ATOM 960 O THR A 62 6.453 -4.438 -8.825 1.00 0.00 O ATOM 961 CB THR A 62 6.069 -7.494 -9.380 1.00 0.00 C ATOM 962 OG1 THR A 62 6.497 -8.668 -10.058 1.00 0.00 O ATOM 963 CG2 THR A 62 4.620 -7.668 -8.916 1.00 0.00 C ATOM 0 H THR A 62 8.263 -6.708 -10.260 1.00 0.00 H new ATOM 0 HA THR A 62 5.556 -6.458 -11.196 1.00 0.00 H new ATOM 0 HB THR A 62 6.706 -7.327 -8.511 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.018 -9.445 -9.701 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.552 -8.529 -8.251 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.298 -6.773 -8.384 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.977 -7.826 -9.782 1.00 0.00 H new ATOM 971 N ASN A 63 4.484 -4.604 -9.805 1.00 0.00 N ATOM 972 CA ASN A 63 3.965 -3.372 -9.127 1.00 0.00 C ATOM 973 C ASN A 63 2.599 -3.654 -8.485 1.00 0.00 C ATOM 974 O ASN A 63 1.890 -4.554 -8.889 1.00 0.00 O ATOM 975 CB ASN A 63 3.811 -2.256 -10.171 1.00 0.00 C ATOM 976 CG ASN A 63 2.816 -2.683 -11.262 1.00 0.00 C ATOM 977 OD1 ASN A 63 2.674 -2.004 -12.262 1.00 0.00 O ATOM 978 ND2 ASN A 63 2.112 -3.773 -11.115 1.00 0.00 N ATOM 0 H ASN A 63 3.820 -5.062 -10.430 1.00 0.00 H new ATOM 0 HA ASN A 63 4.666 -3.068 -8.350 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.463 -1.342 -9.689 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.779 -2.031 -10.619 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.447 -4.052 -11.836 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.227 -4.346 -10.279 1.00 0.00 H new ATOM 985 N LEU A 64 2.213 -2.879 -7.496 1.00 0.00 N ATOM 986 CA LEU A 64 0.878 -3.085 -6.842 1.00 0.00 C ATOM 987 C LEU A 64 0.198 -1.719 -6.644 1.00 0.00 C ATOM 988 O LEU A 64 0.806 -0.779 -6.169 1.00 0.00 O ATOM 989 CB LEU A 64 1.058 -3.741 -5.460 1.00 0.00 C ATOM 990 CG LEU A 64 1.718 -5.122 -5.589 1.00 0.00 C ATOM 991 CD1 LEU A 64 2.105 -5.626 -4.192 1.00 0.00 C ATOM 992 CD2 LEU A 64 0.746 -6.128 -6.224 1.00 0.00 C ATOM 0 H LEU A 64 2.766 -2.112 -7.113 1.00 0.00 H new ATOM 0 HA LEU A 64 0.271 -3.730 -7.477 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.670 -3.099 -4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.089 -3.841 -4.972 1.00 0.00 H new ATOM 0 HG LEU A 64 2.601 -5.030 -6.222 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.574 -6.606 -4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.805 -4.927 -3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.211 -5.703 -3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.232 -7.100 -6.307 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.143 -6.219 -5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.459 -5.780 -7.216 1.00 0.00 H new ATOM 1004 N SER A 65 -1.064 -1.603 -6.988 1.00 0.00 N ATOM 1005 CA SER A 65 -1.795 -0.306 -6.799 1.00 0.00 C ATOM 1006 C SER A 65 -2.679 -0.428 -5.544 1.00 0.00 C ATOM 1007 O SER A 65 -3.287 -1.456 -5.317 1.00 0.00 O ATOM 1008 CB SER A 65 -2.665 -0.036 -8.030 1.00 0.00 C ATOM 1009 OG SER A 65 -3.644 -1.062 -8.140 1.00 0.00 O ATOM 0 H SER A 65 -1.622 -2.354 -7.394 1.00 0.00 H new ATOM 0 HA SER A 65 -1.092 0.518 -6.676 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.148 0.937 -7.943 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.048 -0.007 -8.928 1.00 0.00 H new ATOM 0 HG SER A 65 -4.206 -0.895 -8.925 1.00 0.00 H new ATOM 1015 N LEU A 66 -2.737 0.593 -4.708 1.00 0.00 N ATOM 1016 CA LEU A 66 -3.576 0.503 -3.454 1.00 0.00 C ATOM 1017 C LEU A 66 -4.254 1.858 -3.158 1.00 0.00 C ATOM 1018 O LEU A 66 -3.826 2.901 -3.624 1.00 0.00 O ATOM 1019 CB LEU A 66 -2.686 0.096 -2.244 1.00 0.00 C ATOM 1020 CG LEU A 66 -1.220 0.573 -2.450 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -0.597 0.954 -1.095 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -0.378 -0.552 -3.082 1.00 0.00 C ATOM 0 H LEU A 66 -2.245 1.477 -4.837 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.346 -0.253 -3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.089 0.530 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.707 -0.987 -2.120 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.230 1.439 -3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.430 1.287 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.176 1.759 -0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.603 0.087 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.646 -0.206 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.381 -1.422 -2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.803 -0.826 -4.048 1.00 0.00 H new ATOM 1034 N GLN A 67 -5.313 1.835 -2.373 1.00 0.00 N ATOM 1035 CA GLN A 67 -6.051 3.098 -2.023 1.00 0.00 C ATOM 1036 C GLN A 67 -6.438 3.072 -0.537 1.00 0.00 C ATOM 1037 O GLN A 67 -7.217 2.243 -0.106 1.00 0.00 O ATOM 1038 CB GLN A 67 -7.350 3.152 -2.837 1.00 0.00 C ATOM 1039 CG GLN A 67 -7.040 2.987 -4.325 1.00 0.00 C ATOM 1040 CD GLN A 67 -8.290 3.278 -5.163 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -9.390 3.281 -4.654 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -8.159 3.524 -6.440 1.00 0.00 N ATOM 0 H GLN A 67 -5.700 0.988 -1.957 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.415 3.957 -2.237 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.028 2.364 -2.509 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.857 4.101 -2.666 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.235 3.663 -4.613 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.690 1.973 -4.521 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.233 3.521 -6.868 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.983 3.719 -7.009 1.00 0.00 H new ATOM 1051 N PHE A 68 -5.920 3.981 0.254 1.00 0.00 N ATOM 1052 CA PHE A 68 -6.281 4.001 1.713 1.00 0.00 C ATOM 1053 C PHE A 68 -7.500 4.911 1.948 1.00 0.00 C ATOM 1054 O PHE A 68 -8.611 4.450 2.107 1.00 0.00 O ATOM 1055 CB PHE A 68 -5.082 4.503 2.545 1.00 0.00 C ATOM 1056 CG PHE A 68 -4.218 5.393 1.685 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -3.423 4.817 0.693 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -4.214 6.780 1.874 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -2.620 5.623 -0.115 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -3.407 7.591 1.065 1.00 0.00 C ATOM 1061 CZ PHE A 68 -2.609 7.008 0.071 1.00 0.00 C ATOM 0 H PHE A 68 -5.267 4.707 -0.042 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.534 2.988 2.026 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.435 5.052 3.418 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.501 3.658 2.913 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.429 3.746 0.551 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.831 7.224 2.641 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.007 5.176 -0.884 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.400 8.662 1.207 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.984 7.630 -0.552 1.00 0.00 H new ATOM 1071 N PHE A 69 -7.285 6.202 1.978 1.00 0.00 N ATOM 1072 CA PHE A 69 -8.410 7.163 2.223 1.00 0.00 C ATOM 1073 C PHE A 69 -8.202 8.437 1.390 1.00 0.00 C ATOM 1074 O PHE A 69 -7.613 9.386 1.867 1.00 0.00 O ATOM 1075 CB PHE A 69 -8.405 7.553 3.704 1.00 0.00 C ATOM 1076 CG PHE A 69 -9.551 8.503 3.990 1.00 0.00 C ATOM 1077 CD1 PHE A 69 -10.873 8.058 3.867 1.00 0.00 C ATOM 1078 CD2 PHE A 69 -9.291 9.827 4.377 1.00 0.00 C ATOM 1079 CE1 PHE A 69 -11.936 8.936 4.128 1.00 0.00 C ATOM 1080 CE2 PHE A 69 -10.354 10.702 4.637 1.00 0.00 C ATOM 1081 CZ PHE A 69 -11.675 10.256 4.513 1.00 0.00 C ATOM 0 H PHE A 69 -6.372 6.637 1.843 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.353 6.693 1.946 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.497 6.661 4.324 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.457 8.025 3.962 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.074 7.039 3.571 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.272 10.171 4.474 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.956 8.593 4.032 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.154 11.721 4.933 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.494 10.931 4.715 1.00 0.00 H new ATOM 1091 N PRO A 70 -8.674 8.481 0.167 1.00 0.00 N ATOM 1092 CA PRO A 70 -8.510 9.686 -0.698 1.00 0.00 C ATOM 1093 C PRO A 70 -9.575 10.761 -0.419 1.00 0.00 C ATOM 1094 O PRO A 70 -10.658 10.469 0.047 1.00 0.00 O ATOM 1095 CB PRO A 70 -8.648 9.107 -2.104 1.00 0.00 C ATOM 1096 CG PRO A 70 -9.628 7.985 -1.951 1.00 0.00 C ATOM 1097 CD PRO A 70 -9.404 7.408 -0.539 1.00 0.00 C ATOM 0 HA PRO A 70 -7.565 10.203 -0.529 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -9.009 9.856 -2.809 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.690 8.749 -2.482 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.651 8.343 -2.067 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.469 7.222 -2.713 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.349 7.176 -0.047 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.826 6.485 -0.571 1.00 0.00 H new ATOM 1105 N ALA A 71 -9.268 12.005 -0.683 1.00 0.00 N ATOM 1106 CA ALA A 71 -10.252 13.094 -0.415 1.00 0.00 C ATOM 1107 C ALA A 71 -11.582 12.771 -1.098 1.00 0.00 C ATOM 1108 O ALA A 71 -12.635 12.858 -0.491 1.00 0.00 O ATOM 1109 CB ALA A 71 -9.690 14.413 -0.962 1.00 0.00 C ATOM 0 H ALA A 71 -8.377 12.313 -1.073 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.423 13.183 0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.400 15.218 -0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.745 14.639 -0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.525 14.321 -2.035 1.00 0.00 H new ATOM 1115 N SER A 72 -11.538 12.380 -2.344 1.00 0.00 N ATOM 1116 CA SER A 72 -12.799 12.033 -3.067 1.00 0.00 C ATOM 1117 C SER A 72 -12.452 11.508 -4.460 1.00 0.00 C ATOM 1118 O SER A 72 -11.549 12.002 -5.105 1.00 0.00 O ATOM 1119 CB SER A 72 -13.685 13.275 -3.202 1.00 0.00 C ATOM 1120 OG SER A 72 -15.017 12.859 -3.474 1.00 0.00 O ATOM 0 H SER A 72 -10.684 12.286 -2.893 1.00 0.00 H new ATOM 0 HA SER A 72 -13.336 11.270 -2.504 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.653 13.863 -2.285 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.318 13.915 -4.004 1.00 0.00 H new ATOM 0 HG SER A 72 -15.644 13.421 -2.973 1.00 0.00 H new ATOM 1126 N TRP A 73 -13.168 10.532 -4.942 1.00 0.00 N ATOM 1127 CA TRP A 73 -12.875 10.008 -6.305 1.00 0.00 C ATOM 1128 C TRP A 73 -13.513 10.950 -7.333 1.00 0.00 C ATOM 1129 O TRP A 73 -12.846 11.753 -7.955 1.00 0.00 O ATOM 1130 CB TRP A 73 -13.458 8.578 -6.435 1.00 0.00 C ATOM 1131 CG TRP A 73 -12.660 7.740 -7.401 1.00 0.00 C ATOM 1132 CD1 TRP A 73 -12.002 6.611 -7.060 1.00 0.00 C ATOM 1133 CD2 TRP A 73 -12.427 7.919 -8.837 1.00 0.00 C ATOM 1134 NE1 TRP A 73 -11.378 6.091 -8.175 1.00 0.00 N ATOM 1135 CE2 TRP A 73 -11.606 6.857 -9.293 1.00 0.00 C ATOM 1136 CE3 TRP A 73 -12.835 8.882 -9.784 1.00 0.00 C ATOM 1137 CZ2 TRP A 73 -11.207 6.755 -10.624 1.00 0.00 C ATOM 1138 CZ3 TRP A 73 -12.432 8.779 -11.125 1.00 0.00 C ATOM 1139 CH2 TRP A 73 -11.620 7.719 -11.543 1.00 0.00 C ATOM 0 H TRP A 73 -13.939 10.076 -4.455 1.00 0.00 H new ATOM 0 HA TRP A 73 -11.800 9.961 -6.480 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -13.467 8.098 -5.457 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -14.493 8.636 -6.771 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -11.969 6.182 -6.069 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -10.815 5.240 -8.170 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -13.462 9.705 -9.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -10.581 5.934 -10.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -12.751 9.524 -11.839 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.313 7.648 -12.576 1.00 0.00 H new ATOM 1150 N GLN A 74 -14.794 10.839 -7.531 1.00 0.00 N ATOM 1151 CA GLN A 74 -15.489 11.693 -8.530 1.00 0.00 C ATOM 1152 C GLN A 74 -15.867 13.044 -7.904 1.00 0.00 C ATOM 1153 O GLN A 74 -16.466 13.887 -8.546 1.00 0.00 O ATOM 1154 CB GLN A 74 -16.751 10.950 -8.962 1.00 0.00 C ATOM 1155 CG GLN A 74 -16.349 9.574 -9.509 1.00 0.00 C ATOM 1156 CD GLN A 74 -17.597 8.800 -9.936 1.00 0.00 C ATOM 1157 OE1 GLN A 74 -18.701 9.124 -9.535 1.00 0.00 O ATOM 1158 NE2 GLN A 74 -17.466 7.772 -10.732 1.00 0.00 N ATOM 0 H GLN A 74 -15.398 10.183 -7.036 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.840 11.888 -9.384 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.431 10.837 -8.117 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -17.282 11.519 -9.725 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -15.676 9.693 -10.358 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -15.806 9.014 -8.747 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -16.542 7.501 -11.067 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -18.288 7.240 -11.018 1.00 0.00 H new ATOM 1167 N GLY A 75 -15.533 13.260 -6.657 1.00 0.00 N ATOM 1168 CA GLY A 75 -15.887 14.551 -6.008 1.00 0.00 C ATOM 1169 C GLY A 75 -14.985 15.654 -6.551 1.00 0.00 C ATOM 1170 O GLY A 75 -13.785 15.503 -6.624 1.00 0.00 O ATOM 0 H GLY A 75 -15.032 12.598 -6.065 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.932 14.793 -6.200 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.772 14.471 -4.927 1.00 0.00 H new ATOM 1174 N GLU A 76 -15.545 16.768 -6.919 1.00 0.00 N ATOM 1175 CA GLU A 76 -14.700 17.870 -7.446 1.00 0.00 C ATOM 1176 C GLU A 76 -13.847 18.439 -6.308 1.00 0.00 C ATOM 1177 O GLU A 76 -12.995 19.277 -6.518 1.00 0.00 O ATOM 1178 CB GLU A 76 -15.578 18.968 -8.054 1.00 0.00 C ATOM 1179 CG GLU A 76 -16.347 19.698 -6.952 1.00 0.00 C ATOM 1180 CD GLU A 76 -17.392 20.614 -7.589 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -17.000 21.599 -8.190 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -18.567 20.315 -7.467 1.00 0.00 O ATOM 0 H GLU A 76 -16.545 16.963 -6.878 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.047 17.483 -8.228 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.959 19.675 -8.606 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.277 18.532 -8.768 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -16.831 18.978 -6.292 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.660 20.281 -6.338 1.00 0.00 H new ATOM 1189 N GLN A 77 -14.071 17.987 -5.101 1.00 0.00 N ATOM 1190 CA GLN A 77 -13.268 18.489 -3.952 1.00 0.00 C ATOM 1191 C GLN A 77 -11.853 17.933 -4.065 1.00 0.00 C ATOM 1192 O GLN A 77 -11.654 16.747 -4.221 1.00 0.00 O ATOM 1193 CB GLN A 77 -13.924 18.034 -2.646 1.00 0.00 C ATOM 1194 CG GLN A 77 -13.776 16.523 -2.472 1.00 0.00 C ATOM 1195 CD GLN A 77 -14.716 16.061 -1.360 1.00 0.00 C ATOM 1196 OE1 GLN A 77 -15.920 16.114 -1.509 1.00 0.00 O ATOM 1197 NE2 GLN A 77 -14.217 15.622 -0.240 1.00 0.00 N ATOM 0 H GLN A 77 -14.777 17.291 -4.864 1.00 0.00 H new ATOM 0 HA GLN A 77 -13.225 19.578 -3.960 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -13.465 18.550 -1.803 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -14.980 18.304 -2.649 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -14.014 16.011 -3.404 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.745 16.271 -2.224 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -13.206 15.578 -0.115 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -14.838 15.323 0.512 1.00 0.00 H new ATOM 1206 N ARG A 78 -10.865 18.783 -4.020 1.00 0.00 N ATOM 1207 CA ARG A 78 -9.461 18.301 -4.156 1.00 0.00 C ATOM 1208 C ARG A 78 -8.546 19.114 -3.232 1.00 0.00 C ATOM 1209 O ARG A 78 -7.394 18.778 -3.028 1.00 0.00 O ATOM 1210 CB ARG A 78 -9.050 18.465 -5.624 1.00 0.00 C ATOM 1211 CG ARG A 78 -8.798 19.941 -5.946 1.00 0.00 C ATOM 1212 CD ARG A 78 -8.657 20.100 -7.459 1.00 0.00 C ATOM 1213 NE ARG A 78 -8.173 21.469 -7.790 1.00 0.00 N ATOM 1214 CZ ARG A 78 -7.659 21.703 -8.968 1.00 0.00 C ATOM 1215 NH1 ARG A 78 -7.615 20.745 -9.853 1.00 0.00 N ATOM 1216 NH2 ARG A 78 -7.192 22.889 -9.262 1.00 0.00 N ATOM 0 H ARG A 78 -10.968 19.790 -3.895 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.377 17.253 -3.868 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.150 17.884 -5.823 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.833 18.073 -6.273 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.621 20.553 -5.578 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.894 20.287 -5.445 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.960 19.357 -7.847 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.617 19.919 -7.942 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.242 22.219 -7.102 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.980 19.821 -9.623 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.215 20.920 -10.775 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.228 23.637 -8.570 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.792 23.066 -10.183 1.00 0.00 H new ATOM 1230 N GLN A 79 -9.050 20.190 -2.686 1.00 0.00 N ATOM 1231 CA GLN A 79 -8.214 21.038 -1.789 1.00 0.00 C ATOM 1232 C GLN A 79 -8.169 20.465 -0.376 1.00 0.00 C ATOM 1233 O GLN A 79 -7.422 20.931 0.461 1.00 0.00 O ATOM 1234 CB GLN A 79 -8.816 22.443 -1.730 1.00 0.00 C ATOM 1235 CG GLN A 79 -10.172 22.403 -1.007 1.00 0.00 C ATOM 1236 CD GLN A 79 -10.840 23.772 -1.093 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -10.946 24.346 -2.155 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -11.299 24.320 -0.003 1.00 0.00 N ATOM 0 H GLN A 79 -10.006 20.518 -2.824 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.200 21.066 -2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.136 23.117 -1.209 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.944 22.836 -2.739 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.813 21.646 -1.458 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.031 22.121 0.036 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -11.208 23.834 0.889 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.749 25.235 -0.042 1.00 0.00 H new ATOM 1247 N THR A 80 -8.964 19.472 -0.092 1.00 0.00 N ATOM 1248 CA THR A 80 -8.955 18.887 1.284 1.00 0.00 C ATOM 1249 C THR A 80 -8.034 17.654 1.282 1.00 0.00 C ATOM 1250 O THR A 80 -8.282 16.717 0.554 1.00 0.00 O ATOM 1251 CB THR A 80 -10.386 18.472 1.660 1.00 0.00 C ATOM 1252 OG1 THR A 80 -10.406 18.031 3.008 1.00 0.00 O ATOM 1253 CG2 THR A 80 -10.870 17.338 0.753 1.00 0.00 C ATOM 0 H THR A 80 -9.617 19.040 -0.746 1.00 0.00 H new ATOM 0 HA THR A 80 -8.592 19.615 2.009 1.00 0.00 H new ATOM 0 HB THR A 80 -11.046 19.331 1.536 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.318 17.767 3.252 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.885 17.056 1.033 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.859 17.672 -0.284 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.211 16.477 0.864 1.00 0.00 H new ATOM 1261 N PRO A 81 -6.980 17.625 2.077 1.00 0.00 N ATOM 1262 CA PRO A 81 -6.063 16.450 2.121 1.00 0.00 C ATOM 1263 C PRO A 81 -6.576 15.362 3.074 1.00 0.00 C ATOM 1264 O PRO A 81 -7.560 15.545 3.766 1.00 0.00 O ATOM 1265 CB PRO A 81 -4.755 17.046 2.643 1.00 0.00 C ATOM 1266 CG PRO A 81 -5.186 18.156 3.557 1.00 0.00 C ATOM 1267 CD PRO A 81 -6.530 18.681 3.008 1.00 0.00 C ATOM 0 HA PRO A 81 -5.965 15.963 1.151 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.164 16.301 3.175 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.136 17.421 1.828 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -5.299 17.795 4.579 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.440 18.950 3.581 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.252 18.840 3.809 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.406 19.636 2.497 1.00 0.00 H new ATOM 1275 N SER A 82 -5.905 14.243 3.124 1.00 0.00 N ATOM 1276 CA SER A 82 -6.332 13.148 4.039 1.00 0.00 C ATOM 1277 C SER A 82 -5.740 13.408 5.418 1.00 0.00 C ATOM 1278 O SER A 82 -4.544 13.360 5.616 1.00 0.00 O ATOM 1279 CB SER A 82 -5.815 11.812 3.499 1.00 0.00 C ATOM 1280 OG SER A 82 -5.877 10.818 4.517 1.00 0.00 O ATOM 0 H SER A 82 -5.075 14.040 2.567 1.00 0.00 H new ATOM 0 HA SER A 82 -7.419 13.112 4.105 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.411 11.502 2.640 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.788 11.924 3.151 1.00 0.00 H new ATOM 0 HG SER A 82 -5.546 9.966 4.163 1.00 0.00 H new ATOM 1286 N ARG A 83 -6.572 13.669 6.376 1.00 0.00 N ATOM 1287 CA ARG A 83 -6.067 13.925 7.742 1.00 0.00 C ATOM 1288 C ARG A 83 -5.296 12.698 8.214 1.00 0.00 C ATOM 1289 O ARG A 83 -4.303 12.796 8.905 1.00 0.00 O ATOM 1290 CB ARG A 83 -7.254 14.169 8.666 1.00 0.00 C ATOM 1291 CG ARG A 83 -6.762 14.654 10.026 1.00 0.00 C ATOM 1292 CD ARG A 83 -7.948 14.747 10.988 1.00 0.00 C ATOM 1293 NE ARG A 83 -8.939 15.738 10.482 1.00 0.00 N ATOM 1294 CZ ARG A 83 -10.154 15.737 10.958 1.00 0.00 C ATOM 1295 NH1 ARG A 83 -10.490 14.863 11.867 1.00 0.00 N ATOM 1296 NH2 ARG A 83 -11.034 16.598 10.523 1.00 0.00 N ATOM 0 H ARG A 83 -7.585 13.716 6.271 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.412 14.796 7.750 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.922 14.909 8.226 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.829 13.251 8.784 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.012 13.968 10.420 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.282 15.628 9.926 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.420 13.770 11.092 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.601 15.041 11.979 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.669 16.414 9.767 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.804 14.186 12.201 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.438 14.857 12.243 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.773 17.276 9.807 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.982 16.592 10.899 1.00 0.00 H new ATOM 1310 N GLU A 84 -5.759 11.537 7.851 1.00 0.00 N ATOM 1311 CA GLU A 84 -5.072 10.291 8.283 1.00 0.00 C ATOM 1312 C GLU A 84 -3.621 10.302 7.803 1.00 0.00 C ATOM 1313 O GLU A 84 -2.754 9.735 8.425 1.00 0.00 O ATOM 1314 CB GLU A 84 -5.787 9.078 7.689 1.00 0.00 C ATOM 1315 CG GLU A 84 -7.232 9.064 8.181 1.00 0.00 C ATOM 1316 CD GLU A 84 -7.947 7.817 7.660 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -7.428 7.189 6.756 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -9.006 7.508 8.176 1.00 0.00 O ATOM 0 H GLU A 84 -6.587 11.397 7.272 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.093 10.235 9.371 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.760 9.121 6.600 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.280 8.160 7.984 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.254 9.078 9.271 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.750 9.960 7.840 1.00 0.00 H new ATOM 1325 N TYR A 85 -3.353 10.921 6.690 1.00 0.00 N ATOM 1326 CA TYR A 85 -1.956 10.940 6.167 1.00 0.00 C ATOM 1327 C TYR A 85 -1.026 11.685 7.140 1.00 0.00 C ATOM 1328 O TYR A 85 0.089 11.268 7.371 1.00 0.00 O ATOM 1329 CB TYR A 85 -1.976 11.582 4.749 1.00 0.00 C ATOM 1330 CG TYR A 85 -0.934 12.675 4.569 1.00 0.00 C ATOM 1331 CD1 TYR A 85 0.430 12.373 4.674 1.00 0.00 C ATOM 1332 CD2 TYR A 85 -1.338 13.989 4.274 1.00 0.00 C ATOM 1333 CE1 TYR A 85 1.388 13.380 4.485 1.00 0.00 C ATOM 1334 CE2 TYR A 85 -0.380 14.992 4.087 1.00 0.00 C ATOM 1335 CZ TYR A 85 0.982 14.688 4.190 1.00 0.00 C ATOM 1336 OH TYR A 85 1.928 15.678 4.007 1.00 0.00 O ATOM 0 H TYR A 85 -4.038 11.415 6.118 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.561 9.927 6.084 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.810 10.805 4.003 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.966 11.998 4.560 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.744 11.365 4.900 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.389 14.225 4.192 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.439 13.147 4.567 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.692 16.001 3.863 1.00 0.00 H new ATOM 0 HH TYR A 85 2.610 15.612 4.707 1.00 0.00 H new ATOM 1346 N VAL A 86 -1.460 12.773 7.714 1.00 0.00 N ATOM 1347 CA VAL A 86 -0.563 13.516 8.656 1.00 0.00 C ATOM 1348 C VAL A 86 -0.756 13.011 10.079 1.00 0.00 C ATOM 1349 O VAL A 86 -0.195 13.545 11.017 1.00 0.00 O ATOM 1350 CB VAL A 86 -0.841 15.026 8.590 1.00 0.00 C ATOM 1351 CG1 VAL A 86 0.334 15.802 9.209 1.00 0.00 C ATOM 1352 CG2 VAL A 86 -0.997 15.452 7.131 1.00 0.00 C ATOM 0 H VAL A 86 -2.385 13.180 7.577 1.00 0.00 H new ATOM 0 HA VAL A 86 0.470 13.340 8.356 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.755 15.242 9.143 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.130 16.872 9.159 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.458 15.505 10.250 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.247 15.580 8.657 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.194 16.523 7.084 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.080 15.228 6.586 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.828 14.910 6.681 1.00 0.00 H new ATOM 1362 N ASP A 87 -1.514 11.964 10.247 1.00 0.00 N ATOM 1363 CA ASP A 87 -1.704 11.407 11.620 1.00 0.00 C ATOM 1364 C ASP A 87 -0.676 10.294 11.812 1.00 0.00 C ATOM 1365 O ASP A 87 -0.543 9.735 12.886 1.00 0.00 O ATOM 1366 CB ASP A 87 -3.142 10.864 11.792 1.00 0.00 C ATOM 1367 CG ASP A 87 -3.325 9.471 11.155 1.00 0.00 C ATOM 1368 OD1 ASP A 87 -2.378 8.940 10.593 1.00 0.00 O ATOM 1369 OD2 ASP A 87 -4.426 8.953 11.245 1.00 0.00 O ATOM 0 H ASP A 87 -2.007 11.472 9.502 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.562 12.185 12.370 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.382 10.809 12.854 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.847 11.562 11.341 1.00 0.00 H new ATOM 1374 N LEU A 88 0.080 9.996 10.770 1.00 0.00 N ATOM 1375 CA LEU A 88 1.141 8.941 10.869 1.00 0.00 C ATOM 1376 C LEU A 88 2.473 9.588 10.504 1.00 0.00 C ATOM 1377 O LEU A 88 3.531 9.032 10.727 1.00 0.00 O ATOM 1378 CB LEU A 88 0.844 7.725 9.952 1.00 0.00 C ATOM 1379 CG LEU A 88 0.049 8.121 8.695 1.00 0.00 C ATOM 1380 CD1 LEU A 88 0.998 8.717 7.654 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -0.620 6.871 8.101 1.00 0.00 C ATOM 0 H LEU A 88 0.003 10.442 9.856 1.00 0.00 H new ATOM 0 HA LEU A 88 1.170 8.550 11.886 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.784 7.260 9.653 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.283 6.978 10.513 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.709 8.856 8.965 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.433 8.997 6.765 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.484 9.600 8.068 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.754 7.979 7.386 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.184 7.149 7.210 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.144 6.141 7.834 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.296 6.435 8.837 1.00 0.00 H new ATOM 1393 N GLU A 89 2.422 10.788 10.001 1.00 0.00 N ATOM 1394 CA GLU A 89 3.675 11.513 9.683 1.00 0.00 C ATOM 1395 C GLU A 89 4.209 12.058 11.001 1.00 0.00 C ATOM 1396 O GLU A 89 5.387 12.028 11.279 1.00 0.00 O ATOM 1397 CB GLU A 89 3.363 12.664 8.726 1.00 0.00 C ATOM 1398 CG GLU A 89 4.670 13.320 8.274 1.00 0.00 C ATOM 1399 CD GLU A 89 4.361 14.546 7.408 1.00 0.00 C ATOM 1400 OE1 GLU A 89 3.487 14.448 6.560 1.00 0.00 O ATOM 1401 OE2 GLU A 89 5.007 15.561 7.609 1.00 0.00 O ATOM 0 H GLU A 89 1.562 11.297 9.797 1.00 0.00 H new ATOM 0 HA GLU A 89 4.408 10.861 9.207 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.812 12.293 7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.726 13.399 9.219 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.259 13.615 9.142 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.270 12.606 7.710 1.00 0.00 H new ATOM 1408 N ARG A 90 3.320 12.523 11.824 1.00 0.00 N ATOM 1409 CA ARG A 90 3.717 13.043 13.155 1.00 0.00 C ATOM 1410 C ARG A 90 4.358 11.925 13.981 1.00 0.00 C ATOM 1411 O ARG A 90 5.174 12.172 14.847 1.00 0.00 O ATOM 1412 CB ARG A 90 2.471 13.557 13.884 1.00 0.00 C ATOM 1413 CG ARG A 90 2.877 14.208 15.212 1.00 0.00 C ATOM 1414 CD ARG A 90 1.627 14.658 15.977 1.00 0.00 C ATOM 1415 NE ARG A 90 2.039 15.432 17.189 1.00 0.00 N ATOM 1416 CZ ARG A 90 1.153 16.096 17.891 1.00 0.00 C ATOM 1417 NH1 ARG A 90 -0.106 16.089 17.548 1.00 0.00 N ATOM 1418 NH2 ARG A 90 1.528 16.754 18.957 1.00 0.00 N ATOM 0 H ARG A 90 2.320 12.566 11.628 1.00 0.00 H new ATOM 0 HA ARG A 90 4.436 13.852 13.027 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.946 14.280 13.260 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.781 12.734 14.068 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.447 13.501 15.814 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.526 15.063 15.024 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.996 15.274 15.336 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.034 13.791 16.269 1.00 0.00 H new ATOM 0 HE ARG A 90 3.019 15.443 17.472 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.408 15.564 16.727 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.788 16.609 18.100 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.508 16.750 19.240 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.841 17.271 19.505 1.00 0.00 H new ATOM 1432 N GLU A 91 3.957 10.702 13.761 1.00 0.00 N ATOM 1433 CA GLU A 91 4.511 9.585 14.590 1.00 0.00 C ATOM 1434 C GLU A 91 5.937 9.189 14.173 1.00 0.00 C ATOM 1435 O GLU A 91 6.904 9.770 14.624 1.00 0.00 O ATOM 1436 CB GLU A 91 3.575 8.374 14.487 1.00 0.00 C ATOM 1437 CG GLU A 91 4.066 7.254 15.413 1.00 0.00 C ATOM 1438 CD GLU A 91 3.123 6.053 15.312 1.00 0.00 C ATOM 1439 OE1 GLU A 91 1.929 6.271 15.187 1.00 0.00 O ATOM 1440 OE2 GLU A 91 3.610 4.938 15.374 1.00 0.00 O ATOM 0 H GLU A 91 3.277 10.426 13.052 1.00 0.00 H new ATOM 0 HA GLU A 91 4.572 9.933 15.621 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.560 8.664 14.759 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.540 8.017 13.458 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.078 6.958 15.137 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.107 7.611 16.442 1.00 0.00 H new ATOM 1447 N ALA A 92 6.078 8.183 13.351 1.00 0.00 N ATOM 1448 CA ALA A 92 7.441 7.727 12.949 1.00 0.00 C ATOM 1449 C ALA A 92 8.216 8.859 12.285 1.00 0.00 C ATOM 1450 O ALA A 92 9.425 8.806 12.162 1.00 0.00 O ATOM 1451 CB ALA A 92 7.318 6.573 11.954 1.00 0.00 C ATOM 0 H ALA A 92 5.307 7.657 12.940 1.00 0.00 H new ATOM 0 HA ALA A 92 7.973 7.406 13.845 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.313 6.239 11.659 1.00 0.00 H new ATOM 0 HB2 ALA A 92 6.781 5.747 12.420 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.772 6.909 11.072 1.00 0.00 H new ATOM 1457 N GLY A 93 7.532 9.850 11.804 1.00 0.00 N ATOM 1458 CA GLY A 93 8.231 10.949 11.084 1.00 0.00 C ATOM 1459 C GLY A 93 8.301 10.493 9.641 1.00 0.00 C ATOM 1460 O GLY A 93 9.037 11.007 8.829 1.00 0.00 O ATOM 0 H GLY A 93 6.520 9.950 11.876 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.686 11.889 11.175 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.227 11.117 11.493 1.00 0.00 H new ATOM 1464 N LYS A 94 7.519 9.491 9.342 1.00 0.00 N ATOM 1465 CA LYS A 94 7.486 8.909 7.976 1.00 0.00 C ATOM 1466 C LYS A 94 6.031 8.825 7.530 1.00 0.00 C ATOM 1467 O LYS A 94 5.127 8.820 8.341 1.00 0.00 O ATOM 1468 CB LYS A 94 8.040 7.483 8.030 1.00 0.00 C ATOM 1469 CG LYS A 94 9.398 7.466 8.731 1.00 0.00 C ATOM 1470 CD LYS A 94 10.022 6.085 8.544 1.00 0.00 C ATOM 1471 CE LYS A 94 11.358 6.010 9.281 1.00 0.00 C ATOM 1472 NZ LYS A 94 11.958 4.669 9.048 1.00 0.00 N ATOM 0 H LYS A 94 6.888 9.043 10.006 1.00 0.00 H new ATOM 0 HA LYS A 94 8.074 9.522 7.293 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.342 6.835 8.560 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.140 7.086 7.020 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.049 8.235 8.315 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.280 7.688 9.792 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.346 5.318 8.921 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.171 5.885 7.483 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.030 6.791 8.925 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.211 6.178 10.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.957 4.681 9.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.445 3.957 9.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.892 4.430 8.038 1.00 0.00 H new ATOM 1486 N VAL A 95 5.803 8.728 6.249 1.00 0.00 N ATOM 1487 CA VAL A 95 4.409 8.609 5.736 1.00 0.00 C ATOM 1488 C VAL A 95 4.241 7.206 5.173 1.00 0.00 C ATOM 1489 O VAL A 95 5.019 6.769 4.353 1.00 0.00 O ATOM 1490 CB VAL A 95 4.188 9.639 4.631 1.00 0.00 C ATOM 1491 CG1 VAL A 95 2.760 9.522 4.089 1.00 0.00 C ATOM 1492 CG2 VAL A 95 4.400 11.045 5.202 1.00 0.00 C ATOM 0 H VAL A 95 6.528 8.726 5.531 1.00 0.00 H new ATOM 0 HA VAL A 95 3.686 8.787 6.532 1.00 0.00 H new ATOM 0 HB VAL A 95 4.895 9.458 3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.608 10.260 3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.605 8.522 3.685 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.049 9.701 4.895 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.243 11.784 4.416 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.691 11.220 6.011 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.417 11.133 5.585 1.00 0.00 H new ATOM 1502 N TYR A 96 3.246 6.484 5.609 1.00 0.00 N ATOM 1503 CA TYR A 96 3.052 5.100 5.085 1.00 0.00 C ATOM 1504 C TYR A 96 1.574 4.767 5.017 1.00 0.00 C ATOM 1505 O TYR A 96 0.759 5.387 5.672 1.00 0.00 O ATOM 1506 CB TYR A 96 3.769 4.091 5.980 1.00 0.00 C ATOM 1507 CG TYR A 96 3.110 3.966 7.338 1.00 0.00 C ATOM 1508 CD1 TYR A 96 3.396 4.897 8.343 1.00 0.00 C ATOM 1509 CD2 TYR A 96 2.259 2.881 7.608 1.00 0.00 C ATOM 1510 CE1 TYR A 96 2.827 4.754 9.615 1.00 0.00 C ATOM 1511 CE2 TYR A 96 1.698 2.730 8.877 1.00 0.00 C ATOM 1512 CZ TYR A 96 1.980 3.667 9.884 1.00 0.00 C ATOM 1513 OH TYR A 96 1.431 3.514 11.142 1.00 0.00 O ATOM 0 H TYR A 96 2.562 6.789 6.301 1.00 0.00 H new ATOM 0 HA TYR A 96 3.474 5.047 4.081 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.779 3.117 5.491 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.808 4.395 6.108 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.056 5.727 8.138 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.039 2.163 6.832 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.039 5.478 10.387 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.048 1.893 9.084 1.00 0.00 H new ATOM 0 HH TYR A 96 0.869 2.712 11.158 1.00 0.00 H new ATOM 1523 N LEU A 97 1.220 3.784 4.226 1.00 0.00 N ATOM 1524 CA LEU A 97 -0.219 3.389 4.114 1.00 0.00 C ATOM 1525 C LEU A 97 -0.350 1.859 4.154 1.00 0.00 C ATOM 1526 O LEU A 97 0.539 1.112 3.751 1.00 0.00 O ATOM 1527 CB LEU A 97 -0.862 3.960 2.829 1.00 0.00 C ATOM 1528 CG LEU A 97 0.134 4.020 1.654 1.00 0.00 C ATOM 1529 CD1 LEU A 97 1.243 5.074 1.900 1.00 0.00 C ATOM 1530 CD2 LEU A 97 0.753 2.639 1.419 1.00 0.00 C ATOM 0 H LEU A 97 1.864 3.238 3.654 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.755 3.811 4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.716 3.344 2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.244 4.961 3.030 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.416 4.322 0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.926 5.088 1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.790 6.058 2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.794 4.818 2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.455 2.692 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.279 2.318 2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.034 1.923 1.184 1.00 0.00 H new ATOM 1542 N LYS A 98 -1.466 1.399 4.674 1.00 0.00 N ATOM 1543 CA LYS A 98 -1.729 -0.052 4.811 1.00 0.00 C ATOM 1544 C LYS A 98 -3.135 -0.379 4.281 1.00 0.00 C ATOM 1545 O LYS A 98 -4.097 0.292 4.601 1.00 0.00 O ATOM 1546 CB LYS A 98 -1.625 -0.374 6.305 1.00 0.00 C ATOM 1547 CG LYS A 98 -2.101 -1.798 6.575 1.00 0.00 C ATOM 1548 CD LYS A 98 -1.980 -2.104 8.071 1.00 0.00 C ATOM 1549 CE LYS A 98 -2.534 -3.505 8.354 1.00 0.00 C ATOM 1550 NZ LYS A 98 -2.578 -3.740 9.828 1.00 0.00 N ATOM 0 H LYS A 98 -2.220 1.995 5.016 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.017 -0.645 4.238 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.593 -0.259 6.638 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.225 0.332 6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.136 -1.914 6.252 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.506 -2.507 5.999 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.937 -2.044 8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.528 -1.361 8.650 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.533 -3.604 7.930 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.908 -4.258 7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.954 -4.691 10.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.618 -3.663 10.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.193 -3.030 10.275 1.00 0.00 H new ATOM 1564 N ALA A 99 -3.269 -1.419 3.484 1.00 0.00 N ATOM 1565 CA ALA A 99 -4.626 -1.776 2.955 1.00 0.00 C ATOM 1566 C ALA A 99 -4.685 -3.269 2.569 1.00 0.00 C ATOM 1567 O ALA A 99 -3.752 -3.789 1.992 1.00 0.00 O ATOM 1568 CB ALA A 99 -4.913 -0.936 1.704 1.00 0.00 C ATOM 0 H ALA A 99 -2.508 -2.027 3.182 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.366 -1.578 3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.898 -1.190 1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.887 0.123 1.963 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.158 -1.143 0.946 1.00 0.00 H new ATOM 1574 N PRO A 100 -5.784 -3.953 2.824 1.00 0.00 N ATOM 1575 CA PRO A 100 -5.936 -5.382 2.418 1.00 0.00 C ATOM 1576 C PRO A 100 -6.387 -5.492 0.951 1.00 0.00 C ATOM 1577 O PRO A 100 -7.534 -5.252 0.639 1.00 0.00 O ATOM 1578 CB PRO A 100 -7.041 -5.880 3.346 1.00 0.00 C ATOM 1579 CG PRO A 100 -7.930 -4.690 3.507 1.00 0.00 C ATOM 1580 CD PRO A 100 -6.994 -3.474 3.535 1.00 0.00 C ATOM 0 HA PRO A 100 -5.008 -5.949 2.493 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.577 -6.725 2.913 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.640 -6.213 4.303 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.641 -4.618 2.684 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.512 -4.757 4.426 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.439 -2.613 3.036 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.765 -3.167 4.555 1.00 0.00 H new ATOM 1588 N MET A 101 -5.505 -5.831 0.042 1.00 0.00 N ATOM 1589 CA MET A 101 -5.921 -5.932 -1.405 1.00 0.00 C ATOM 1590 C MET A 101 -6.227 -7.391 -1.763 1.00 0.00 C ATOM 1591 O MET A 101 -5.425 -8.265 -1.544 1.00 0.00 O ATOM 1592 CB MET A 101 -4.785 -5.408 -2.299 1.00 0.00 C ATOM 1593 CG MET A 101 -5.239 -5.408 -3.768 1.00 0.00 C ATOM 1594 SD MET A 101 -6.518 -4.147 -4.022 1.00 0.00 S ATOM 1595 CE MET A 101 -5.507 -2.688 -3.669 1.00 0.00 C ATOM 0 H MET A 101 -4.525 -6.041 0.229 1.00 0.00 H new ATOM 0 HA MET A 101 -6.818 -5.333 -1.563 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.506 -4.399 -1.995 1.00 0.00 H new ATOM 0 HB3 MET A 101 -3.900 -6.033 -2.182 1.00 0.00 H new ATOM 0 HG2 MET A 101 -4.388 -5.211 -4.420 1.00 0.00 H new ATOM 0 HG3 MET A 101 -5.627 -6.390 -4.037 1.00 0.00 H new ATOM 0 HE1 MET A 101 -5.683 -1.930 -4.433 1.00 0.00 H new ATOM 0 HE2 MET A 101 -5.775 -2.287 -2.692 1.00 0.00 H new ATOM 0 HE3 MET A 101 -4.453 -2.967 -3.670 1.00 0.00 H new ATOM 1605 N ILE A 102 -7.377 -7.663 -2.340 1.00 0.00 N ATOM 1606 CA ILE A 102 -7.703 -9.076 -2.732 1.00 0.00 C ATOM 1607 C ILE A 102 -7.244 -9.355 -4.166 1.00 0.00 C ATOM 1608 O ILE A 102 -7.612 -8.676 -5.107 1.00 0.00 O ATOM 1609 CB ILE A 102 -9.227 -9.372 -2.577 1.00 0.00 C ATOM 1610 CG1 ILE A 102 -10.055 -8.091 -2.781 1.00 0.00 C ATOM 1611 CG2 ILE A 102 -9.514 -9.956 -1.185 1.00 0.00 C ATOM 1612 CD1 ILE A 102 -11.538 -8.381 -2.490 1.00 0.00 C ATOM 0 H ILE A 102 -8.098 -6.975 -2.555 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.164 -9.742 -2.058 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.512 -10.098 -3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -9.692 -7.303 -2.121 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.939 -7.730 -3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.581 -10.159 -1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -8.955 -10.883 -1.057 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.210 -9.241 -0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -12.122 -7.472 -2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -11.897 -9.155 -3.168 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -11.647 -8.721 -1.460 1.00 0.00 H new ATOM 1624 N LEU A 103 -6.464 -10.392 -4.318 1.00 0.00 N ATOM 1625 CA LEU A 103 -5.967 -10.815 -5.657 1.00 0.00 C ATOM 1626 C LEU A 103 -6.793 -12.037 -6.072 1.00 0.00 C ATOM 1627 O LEU A 103 -7.653 -12.468 -5.337 1.00 0.00 O ATOM 1628 CB LEU A 103 -4.488 -11.229 -5.558 1.00 0.00 C ATOM 1629 CG LEU A 103 -3.557 -10.012 -5.405 1.00 0.00 C ATOM 1630 CD1 LEU A 103 -3.685 -9.076 -6.623 1.00 0.00 C ATOM 1631 CD2 LEU A 103 -3.878 -9.254 -4.110 1.00 0.00 C ATOM 0 H LEU A 103 -6.143 -10.978 -3.547 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.059 -10.002 -6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.355 -11.897 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.208 -11.790 -6.450 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.528 -10.369 -5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.020 -8.222 -6.497 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.412 -9.618 -7.529 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.714 -8.726 -6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.212 -8.396 -4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.912 -8.909 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -3.739 -9.917 -3.256 1.00 0.00 H new ATOM 1643 N ASN A 104 -6.559 -12.596 -7.235 1.00 0.00 N ATOM 1644 CA ASN A 104 -7.360 -13.790 -7.659 1.00 0.00 C ATOM 1645 C ASN A 104 -7.084 -14.955 -6.695 1.00 0.00 C ATOM 1646 O ASN A 104 -6.537 -15.980 -7.061 1.00 0.00 O ATOM 1647 CB ASN A 104 -6.949 -14.178 -9.080 1.00 0.00 C ATOM 1648 CG ASN A 104 -7.919 -15.223 -9.631 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -7.618 -16.396 -9.653 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -9.086 -14.840 -10.075 1.00 0.00 N ATOM 0 H ASN A 104 -5.856 -12.282 -7.904 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.425 -13.557 -7.638 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.946 -13.297 -9.721 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.934 -14.575 -9.079 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -9.744 -15.529 -10.440 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -9.340 -13.852 -10.057 1.00 0.00 H new ATOM 1657 N GLY A 105 -7.475 -14.783 -5.460 1.00 0.00 N ATOM 1658 CA GLY A 105 -7.277 -15.824 -4.411 1.00 0.00 C ATOM 1659 C GLY A 105 -7.968 -15.328 -3.139 1.00 0.00 C ATOM 1660 O GLY A 105 -9.125 -15.600 -2.898 1.00 0.00 O ATOM 0 H GLY A 105 -7.938 -13.937 -5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.699 -16.777 -4.731 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.215 -15.991 -4.231 1.00 0.00 H new ATOM 1664 N VAL A 106 -7.261 -14.573 -2.335 1.00 0.00 N ATOM 1665 CA VAL A 106 -7.866 -14.022 -1.083 1.00 0.00 C ATOM 1666 C VAL A 106 -7.135 -12.726 -0.696 1.00 0.00 C ATOM 1667 O VAL A 106 -6.253 -12.264 -1.394 1.00 0.00 O ATOM 1668 CB VAL A 106 -7.809 -15.048 0.079 1.00 0.00 C ATOM 1669 CG1 VAL A 106 -9.172 -15.100 0.791 1.00 0.00 C ATOM 1670 CG2 VAL A 106 -7.467 -16.456 -0.446 1.00 0.00 C ATOM 0 H VAL A 106 -6.287 -14.314 -2.493 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.918 -13.808 -1.271 1.00 0.00 H new ATOM 0 HB VAL A 106 -7.032 -14.731 0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.129 -15.822 1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.412 -14.115 1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.942 -15.401 0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.433 -17.157 0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.230 -16.774 -1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.496 -16.434 -0.941 1.00 0.00 H new ATOM 1680 N CYS A 107 -7.509 -12.131 0.405 1.00 0.00 N ATOM 1681 CA CYS A 107 -6.863 -10.856 0.827 1.00 0.00 C ATOM 1682 C CYS A 107 -5.409 -11.080 1.236 1.00 0.00 C ATOM 1683 O CYS A 107 -5.052 -12.078 1.825 1.00 0.00 O ATOM 1684 CB CYS A 107 -7.631 -10.279 2.019 1.00 0.00 C ATOM 1685 SG CYS A 107 -8.132 -11.632 3.085 1.00 0.00 S ATOM 0 H CYS A 107 -8.237 -12.475 1.032 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.882 -10.165 -0.016 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -7.005 -9.576 2.568 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.504 -9.725 1.674 1.00 0.00 H new ATOM 0 HG CYS A 107 -7.703 -12.755 2.591 1.00 0.00 H new ATOM 1691 N VAL A 108 -4.592 -10.102 0.954 1.00 0.00 N ATOM 1692 CA VAL A 108 -3.154 -10.126 1.340 1.00 0.00 C ATOM 1693 C VAL A 108 -2.905 -8.757 1.988 1.00 0.00 C ATOM 1694 O VAL A 108 -3.535 -7.796 1.604 1.00 0.00 O ATOM 1695 CB VAL A 108 -2.266 -10.346 0.104 1.00 0.00 C ATOM 1696 CG1 VAL A 108 -2.345 -9.151 -0.853 1.00 0.00 C ATOM 1697 CG2 VAL A 108 -0.821 -10.557 0.557 1.00 0.00 C ATOM 0 H VAL A 108 -4.874 -9.259 0.454 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.913 -10.941 2.023 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.621 -11.227 -0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.707 -9.335 -1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.375 -9.017 -1.184 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.009 -8.250 -0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.186 -10.714 -0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.479 -9.678 1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.767 -11.430 1.207 1.00 0.00 H new ATOM 1707 N ILE A 109 -2.063 -8.638 2.987 1.00 0.00 N ATOM 1708 CA ILE A 109 -1.905 -7.296 3.659 1.00 0.00 C ATOM 1709 C ILE A 109 -0.657 -6.536 3.155 1.00 0.00 C ATOM 1710 O ILE A 109 0.463 -6.978 3.295 1.00 0.00 O ATOM 1711 CB ILE A 109 -1.822 -7.566 5.178 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -2.364 -6.374 5.979 1.00 0.00 C ATOM 1713 CG2 ILE A 109 -0.378 -7.842 5.615 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -2.521 -6.781 7.451 1.00 0.00 C ATOM 0 H ILE A 109 -1.487 -9.391 3.364 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.753 -6.654 3.421 1.00 0.00 H new ATOM 0 HB ILE A 109 -2.432 -8.446 5.379 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.685 -5.526 5.895 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -3.324 -6.055 5.574 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.352 -8.028 6.689 1.00 0.00 H new ATOM 0 HG22 ILE A 109 0.002 -8.716 5.086 1.00 0.00 H new ATOM 0 HG23 ILE A 109 0.244 -6.978 5.382 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -2.906 -5.937 8.023 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -3.217 -7.617 7.525 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -1.552 -7.079 7.851 1.00 0.00 H new ATOM 1726 N TRP A 110 -0.861 -5.372 2.582 1.00 0.00 N ATOM 1727 CA TRP A 110 0.286 -4.547 2.075 1.00 0.00 C ATOM 1728 C TRP A 110 0.476 -3.337 3.005 1.00 0.00 C ATOM 1729 O TRP A 110 -0.462 -2.625 3.291 1.00 0.00 O ATOM 1730 CB TRP A 110 -0.065 -4.062 0.655 1.00 0.00 C ATOM 1731 CG TRP A 110 1.175 -3.746 -0.129 1.00 0.00 C ATOM 1732 CD1 TRP A 110 1.829 -4.623 -0.930 1.00 0.00 C ATOM 1733 CD2 TRP A 110 1.903 -2.491 -0.222 1.00 0.00 C ATOM 1734 NE1 TRP A 110 2.917 -3.985 -1.498 1.00 0.00 N ATOM 1735 CE2 TRP A 110 3.005 -2.670 -1.093 1.00 0.00 C ATOM 1736 CE3 TRP A 110 1.722 -1.231 0.361 1.00 0.00 C ATOM 1737 CZ2 TRP A 110 3.893 -1.629 -1.375 1.00 0.00 C ATOM 1738 CZ3 TRP A 110 2.613 -0.184 0.078 1.00 0.00 C ATOM 1739 CH2 TRP A 110 3.695 -0.382 -0.789 1.00 0.00 C ATOM 0 H TRP A 110 -1.781 -4.954 2.442 1.00 0.00 H new ATOM 0 HA TRP A 110 1.206 -5.132 2.053 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.641 -4.829 0.137 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.697 -3.176 0.716 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.547 -5.652 -1.097 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.573 -4.432 -2.138 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.892 -1.064 1.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.727 -1.790 -2.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 2.463 0.784 0.533 1.00 0.00 H new ATOM 0 HH2 TRP A 110 4.374 0.431 -1.002 1.00 0.00 H new ATOM 1750 N LYS A 111 1.677 -3.082 3.466 1.00 0.00 N ATOM 1751 CA LYS A 111 1.913 -1.898 4.360 1.00 0.00 C ATOM 1752 C LYS A 111 3.299 -1.336 4.087 1.00 0.00 C ATOM 1753 O LYS A 111 4.199 -1.422 4.897 1.00 0.00 O ATOM 1754 CB LYS A 111 1.779 -2.302 5.830 1.00 0.00 C ATOM 1755 CG LYS A 111 2.402 -3.675 6.044 1.00 0.00 C ATOM 1756 CD LYS A 111 2.371 -4.018 7.535 1.00 0.00 C ATOM 1757 CE LYS A 111 3.009 -5.391 7.757 1.00 0.00 C ATOM 1758 NZ LYS A 111 4.445 -5.331 7.371 1.00 0.00 N ATOM 0 H LYS A 111 2.506 -3.641 3.263 1.00 0.00 H new ATOM 0 HA LYS A 111 1.165 -1.133 4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 111 2.271 -1.566 6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.728 -2.320 6.118 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.856 -4.427 5.475 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.429 -3.682 5.679 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.908 -3.259 8.105 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.343 -4.020 7.897 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.913 -5.685 8.802 1.00 0.00 H new ATOM 0 HE3 LYS A 111 2.492 -6.146 7.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 4.958 -6.117 7.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 4.530 -5.406 6.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 4.852 -4.427 7.687 1.00 0.00 H new ATOM 1772 N GLY A 112 3.459 -0.755 2.940 1.00 0.00 N ATOM 1773 CA GLY A 112 4.768 -0.161 2.566 1.00 0.00 C ATOM 1774 C GLY A 112 4.946 1.160 3.298 1.00 0.00 C ATOM 1775 O GLY A 112 3.981 1.817 3.636 1.00 0.00 O ATOM 0 H GLY A 112 2.729 -0.664 2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.577 -0.844 2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.814 -0.002 1.489 1.00 0.00 H new ATOM 1779 N TRP A 113 6.167 1.573 3.519 1.00 0.00 N ATOM 1780 CA TRP A 113 6.405 2.880 4.209 1.00 0.00 C ATOM 1781 C TRP A 113 7.579 3.607 3.562 1.00 0.00 C ATOM 1782 O TRP A 113 8.372 3.022 2.857 1.00 0.00 O ATOM 1783 CB TRP A 113 6.688 2.658 5.703 1.00 0.00 C ATOM 1784 CG TRP A 113 7.757 1.629 5.909 1.00 0.00 C ATOM 1785 CD1 TRP A 113 7.517 0.335 6.209 1.00 0.00 C ATOM 1786 CD2 TRP A 113 9.212 1.774 5.860 1.00 0.00 C ATOM 1787 NE1 TRP A 113 8.726 -0.326 6.351 1.00 0.00 N ATOM 1788 CE2 TRP A 113 9.799 0.516 6.141 1.00 0.00 C ATOM 1789 CE3 TRP A 113 10.072 2.860 5.599 1.00 0.00 C ATOM 1790 CZ2 TRP A 113 11.182 0.342 6.165 1.00 0.00 C ATOM 1791 CZ3 TRP A 113 11.467 2.685 5.619 1.00 0.00 C ATOM 1792 CH2 TRP A 113 12.019 1.427 5.903 1.00 0.00 C ATOM 0 H TRP A 113 7.010 1.064 3.253 1.00 0.00 H new ATOM 0 HA TRP A 113 5.507 3.491 4.111 1.00 0.00 H new ATOM 0 HB2 TRP A 113 6.993 3.599 6.161 1.00 0.00 H new ATOM 0 HB3 TRP A 113 5.774 2.341 6.205 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.540 -0.113 6.320 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.813 -1.316 6.583 1.00 0.00 H new ATOM 0 HE3 TRP A 113 9.657 3.833 5.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 11.603 -0.628 6.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 12.117 3.523 5.415 1.00 0.00 H new ATOM 0 HH2 TRP A 113 13.091 1.298 5.919 1.00 0.00 H new ATOM 1803 N ILE A 114 7.669 4.889 3.793 1.00 0.00 N ATOM 1804 CA ILE A 114 8.766 5.706 3.205 1.00 0.00 C ATOM 1805 C ILE A 114 8.961 6.919 4.105 1.00 0.00 C ATOM 1806 O ILE A 114 8.016 7.434 4.672 1.00 0.00 O ATOM 1807 CB ILE A 114 8.370 6.159 1.798 1.00 0.00 C ATOM 1808 CG1 ILE A 114 6.978 6.781 1.867 1.00 0.00 C ATOM 1809 CG2 ILE A 114 8.359 4.966 0.842 1.00 0.00 C ATOM 1810 CD1 ILE A 114 6.524 7.188 0.472 1.00 0.00 C ATOM 0 H ILE A 114 7.016 5.413 4.375 1.00 0.00 H new ATOM 0 HA ILE A 114 9.688 5.128 3.134 1.00 0.00 H new ATOM 0 HB ILE A 114 9.090 6.888 1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.273 6.069 2.295 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.991 7.651 2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.076 5.302 -0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.353 4.519 0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.641 4.225 1.193 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.530 7.631 0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.223 7.916 0.060 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.494 6.309 -0.172 1.00 0.00 H new ATOM 1822 N ASP A 115 10.168 7.370 4.273 1.00 0.00 N ATOM 1823 CA ASP A 115 10.390 8.527 5.175 1.00 0.00 C ATOM 1824 C ASP A 115 9.972 9.809 4.484 1.00 0.00 C ATOM 1825 O ASP A 115 9.771 9.860 3.287 1.00 0.00 O ATOM 1826 CB ASP A 115 11.869 8.590 5.563 1.00 0.00 C ATOM 1827 CG ASP A 115 12.034 9.204 6.960 1.00 0.00 C ATOM 1828 OD1 ASP A 115 11.238 10.058 7.309 1.00 0.00 O ATOM 1829 OD2 ASP A 115 12.956 8.809 7.654 1.00 0.00 O ATOM 0 H ASP A 115 11.004 6.991 3.829 1.00 0.00 H new ATOM 0 HA ASP A 115 9.789 8.407 6.076 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.298 7.588 5.547 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.418 9.183 4.832 1.00 0.00 H new ATOM 1834 N LEU A 116 9.833 10.843 5.240 1.00 0.00 N ATOM 1835 CA LEU A 116 9.425 12.127 4.654 1.00 0.00 C ATOM 1836 C LEU A 116 10.534 12.584 3.699 1.00 0.00 C ATOM 1837 O LEU A 116 10.302 13.380 2.812 1.00 0.00 O ATOM 1838 CB LEU A 116 9.200 13.141 5.793 1.00 0.00 C ATOM 1839 CG LEU A 116 8.313 14.317 5.317 1.00 0.00 C ATOM 1840 CD1 LEU A 116 7.667 14.991 6.539 1.00 0.00 C ATOM 1841 CD2 LEU A 116 9.148 15.356 4.510 1.00 0.00 C ATOM 0 H LEU A 116 9.986 10.853 6.248 1.00 0.00 H new ATOM 0 HA LEU A 116 8.494 12.038 4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.728 12.644 6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.160 13.522 6.141 1.00 0.00 H new ATOM 0 HG LEU A 116 7.537 13.928 4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 116 7.041 15.820 6.209 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.055 14.265 7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.447 15.366 7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.501 16.172 4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.944 15.752 5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.585 14.872 3.636 1.00 0.00 H new ATOM 1853 N HIS A 117 11.747 12.075 3.868 1.00 0.00 N ATOM 1854 CA HIS A 117 12.870 12.477 2.955 1.00 0.00 C ATOM 1855 C HIS A 117 13.205 11.364 1.946 1.00 0.00 C ATOM 1856 O HIS A 117 13.277 11.628 0.763 1.00 0.00 O ATOM 1857 CB HIS A 117 14.122 12.808 3.776 1.00 0.00 C ATOM 1858 CG HIS A 117 14.318 11.799 4.872 1.00 0.00 C ATOM 1859 ND1 HIS A 117 14.006 12.076 6.193 1.00 0.00 N ATOM 1860 CD2 HIS A 117 14.807 10.518 4.864 1.00 0.00 C ATOM 1861 CE1 HIS A 117 14.311 10.984 6.919 1.00 0.00 C ATOM 1862 NE2 HIS A 117 14.802 10.005 6.157 1.00 0.00 N ATOM 0 H HIS A 117 11.999 11.405 4.594 1.00 0.00 H new ATOM 0 HA HIS A 117 12.544 13.357 2.401 1.00 0.00 H new ATOM 0 HB2 HIS A 117 14.997 12.821 3.126 1.00 0.00 H new ATOM 0 HB3 HIS A 117 14.029 13.806 4.205 1.00 0.00 H new ATOM 0 HD1 HIS A 117 13.616 12.948 6.550 1.00 0.00 H new ATOM 0 HD2 HIS A 117 15.145 9.987 3.986 1.00 0.00 H new ATOM 0 HE1 HIS A 117 14.175 10.910 7.988 1.00 0.00 H new ATOM 1870 N ARG A 118 13.419 10.130 2.366 1.00 0.00 N ATOM 1871 CA ARG A 118 13.757 9.070 1.355 1.00 0.00 C ATOM 1872 C ARG A 118 12.473 8.413 0.829 1.00 0.00 C ATOM 1873 O ARG A 118 11.674 7.853 1.552 1.00 0.00 O ATOM 1874 CB ARG A 118 14.740 8.024 1.938 1.00 0.00 C ATOM 1875 CG ARG A 118 14.150 7.294 3.149 1.00 0.00 C ATOM 1876 CD ARG A 118 15.113 6.194 3.611 1.00 0.00 C ATOM 1877 NE ARG A 118 14.612 5.589 4.892 1.00 0.00 N ATOM 1878 CZ ARG A 118 14.467 6.308 5.971 1.00 0.00 C ATOM 1879 NH1 ARG A 118 14.905 7.533 6.003 1.00 0.00 N ATOM 1880 NH2 ARG A 118 13.899 5.791 7.029 1.00 0.00 N ATOM 0 H ARG A 118 13.376 9.820 3.337 1.00 0.00 H new ATOM 0 HA ARG A 118 14.265 9.544 0.515 1.00 0.00 H new ATOM 0 HB2 ARG A 118 14.996 7.298 1.167 1.00 0.00 H new ATOM 0 HB3 ARG A 118 15.666 8.520 2.229 1.00 0.00 H new ATOM 0 HG2 ARG A 118 13.973 8.000 3.960 1.00 0.00 H new ATOM 0 HG3 ARG A 118 13.185 6.860 2.889 1.00 0.00 H new ATOM 0 HD2 ARG A 118 15.198 5.425 2.843 1.00 0.00 H new ATOM 0 HD3 ARG A 118 16.110 6.608 3.759 1.00 0.00 H new ATOM 0 HE ARG A 118 14.381 4.596 4.919 1.00 0.00 H new ATOM 0 HH11 ARG A 118 15.363 7.933 5.184 1.00 0.00 H new ATOM 0 HH12 ARG A 118 14.791 8.094 6.847 1.00 0.00 H new ATOM 0 HH21 ARG A 118 13.569 4.826 7.011 1.00 0.00 H new ATOM 0 HH22 ARG A 118 13.785 6.353 7.873 1.00 0.00 H new ATOM 1894 N LEU A 119 12.284 8.528 -0.452 1.00 0.00 N ATOM 1895 CA LEU A 119 11.085 7.972 -1.137 1.00 0.00 C ATOM 1896 C LEU A 119 11.319 6.494 -1.496 1.00 0.00 C ATOM 1897 O LEU A 119 10.572 5.911 -2.259 1.00 0.00 O ATOM 1898 CB LEU A 119 10.884 8.782 -2.428 1.00 0.00 C ATOM 1899 CG LEU A 119 9.443 8.638 -2.945 1.00 0.00 C ATOM 1900 CD1 LEU A 119 8.529 9.637 -2.222 1.00 0.00 C ATOM 1901 CD2 LEU A 119 9.407 8.909 -4.456 1.00 0.00 C ATOM 0 H LEU A 119 12.936 9.003 -1.077 1.00 0.00 H new ATOM 0 HA LEU A 119 10.211 8.035 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 119 11.105 9.833 -2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 119 11.584 8.440 -3.190 1.00 0.00 H new ATOM 0 HG LEU A 119 9.093 7.624 -2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 119 7.509 9.531 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 119 8.549 9.439 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.879 10.652 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 119 8.385 8.806 -4.820 1.00 0.00 H new ATOM 0 HD22 LEU A 119 9.762 9.921 -4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 119 10.049 8.193 -4.969 1.00 0.00 H new ATOM 1913 N ASP A 120 12.372 5.902 -0.983 1.00 0.00 N ATOM 1914 CA ASP A 120 12.696 4.463 -1.323 1.00 0.00 C ATOM 1915 C ASP A 120 12.701 3.621 -0.051 1.00 0.00 C ATOM 1916 O ASP A 120 13.670 2.973 0.292 1.00 0.00 O ATOM 1917 CB ASP A 120 14.070 4.395 -2.008 1.00 0.00 C ATOM 1918 CG ASP A 120 15.191 4.630 -0.989 1.00 0.00 C ATOM 1919 OD1 ASP A 120 14.889 5.092 0.098 1.00 0.00 O ATOM 1920 OD2 ASP A 120 16.331 4.341 -1.316 1.00 0.00 O ATOM 0 H ASP A 120 13.027 6.348 -0.341 1.00 0.00 H new ATOM 0 HA ASP A 120 11.939 4.070 -2.002 1.00 0.00 H new ATOM 0 HB2 ASP A 120 14.199 3.422 -2.481 1.00 0.00 H new ATOM 0 HB3 ASP A 120 14.126 5.144 -2.798 1.00 0.00 H new ATOM 1925 N GLY A 121 11.618 3.639 0.648 1.00 0.00 N ATOM 1926 CA GLY A 121 11.520 2.866 1.913 1.00 0.00 C ATOM 1927 C GLY A 121 11.578 1.375 1.635 1.00 0.00 C ATOM 1928 O GLY A 121 12.184 0.913 0.685 1.00 0.00 O ATOM 0 H GLY A 121 10.779 4.163 0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.333 3.148 2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.588 3.110 2.423 1.00 0.00 H new ATOM 1932 N MET A 122 10.917 0.627 2.466 1.00 0.00 N ATOM 1933 CA MET A 122 10.872 -0.847 2.305 1.00 0.00 C ATOM 1934 C MET A 122 9.458 -1.289 2.618 1.00 0.00 C ATOM 1935 O MET A 122 8.741 -0.620 3.332 1.00 0.00 O ATOM 1936 CB MET A 122 11.845 -1.506 3.281 1.00 0.00 C ATOM 1937 CG MET A 122 12.013 -2.976 2.905 1.00 0.00 C ATOM 1938 SD MET A 122 13.061 -3.808 4.120 1.00 0.00 S ATOM 1939 CE MET A 122 11.760 -4.194 5.316 1.00 0.00 C ATOM 0 H MET A 122 10.395 0.983 3.267 1.00 0.00 H new ATOM 0 HA MET A 122 11.155 -1.134 1.292 1.00 0.00 H new ATOM 0 HB2 MET A 122 12.809 -0.998 3.251 1.00 0.00 H new ATOM 0 HB3 MET A 122 11.470 -1.419 4.301 1.00 0.00 H new ATOM 0 HG2 MET A 122 11.038 -3.462 2.859 1.00 0.00 H new ATOM 0 HG3 MET A 122 12.457 -3.058 1.913 1.00 0.00 H new ATOM 0 HE1 MET A 122 12.175 -4.797 6.123 1.00 0.00 H new ATOM 0 HE2 MET A 122 11.356 -3.268 5.726 1.00 0.00 H new ATOM 0 HE3 MET A 122 10.964 -4.750 4.821 1.00 0.00 H new ATOM 1949 N GLY A 123 9.033 -2.398 2.097 1.00 0.00 N ATOM 1950 CA GLY A 123 7.644 -2.836 2.381 1.00 0.00 C ATOM 1951 C GLY A 123 7.516 -4.335 2.195 1.00 0.00 C ATOM 1952 O GLY A 123 7.614 -4.869 1.102 1.00 0.00 O ATOM 0 H GLY A 123 9.578 -3.015 1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.371 -2.565 3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 123 6.950 -2.320 1.718 1.00 0.00 H new ATOM 1956 N CYS A 124 7.293 -5.018 3.273 1.00 0.00 N ATOM 1957 CA CYS A 124 7.123 -6.487 3.207 1.00 0.00 C ATOM 1958 C CYS A 124 5.662 -6.796 2.919 1.00 0.00 C ATOM 1959 O CYS A 124 4.777 -6.076 3.340 1.00 0.00 O ATOM 1960 CB CYS A 124 7.533 -7.130 4.535 1.00 0.00 C ATOM 1961 SG CYS A 124 7.774 -8.902 4.272 1.00 0.00 S ATOM 0 H CYS A 124 7.220 -4.617 4.208 1.00 0.00 H new ATOM 0 HA CYS A 124 7.755 -6.891 2.417 1.00 0.00 H new ATOM 0 HB2 CYS A 124 8.451 -6.675 4.907 1.00 0.00 H new ATOM 0 HB3 CYS A 124 6.765 -6.961 5.290 1.00 0.00 H new ATOM 0 HG CYS A 124 6.641 -9.521 4.426 1.00 0.00 H new ATOM 1967 N LEU A 125 5.401 -7.872 2.234 1.00 0.00 N ATOM 1968 CA LEU A 125 3.979 -8.264 1.939 1.00 0.00 C ATOM 1969 C LEU A 125 3.744 -9.637 2.565 1.00 0.00 C ATOM 1970 O LEU A 125 4.618 -10.478 2.569 1.00 0.00 O ATOM 1971 CB LEU A 125 3.754 -8.253 0.421 1.00 0.00 C ATOM 1972 CG LEU A 125 2.405 -8.877 0.054 1.00 0.00 C ATOM 1973 CD1 LEU A 125 1.267 -8.060 0.684 1.00 0.00 C ATOM 1974 CD2 LEU A 125 2.265 -8.880 -1.473 1.00 0.00 C ATOM 0 H LEU A 125 6.108 -8.505 1.860 1.00 0.00 H new ATOM 0 HA LEU A 125 3.262 -7.562 2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.795 -7.228 0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.557 -8.801 -0.072 1.00 0.00 H new ATOM 0 HG LEU A 125 2.352 -9.898 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.309 -8.507 0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.379 -8.055 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.304 -7.036 0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.308 -9.322 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.313 -7.856 -1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.074 -9.464 -1.911 1.00 0.00 H new ATOM 1986 N GLU A 126 2.589 -9.858 3.154 1.00 0.00 N ATOM 1987 CA GLU A 126 2.346 -11.175 3.842 1.00 0.00 C ATOM 1988 C GLU A 126 0.899 -11.631 3.697 1.00 0.00 C ATOM 1989 O GLU A 126 -0.030 -10.919 4.026 1.00 0.00 O ATOM 1990 CB GLU A 126 2.607 -11.018 5.343 1.00 0.00 C ATOM 1991 CG GLU A 126 3.994 -10.415 5.597 1.00 0.00 C ATOM 1992 CD GLU A 126 3.933 -8.889 5.475 1.00 0.00 C ATOM 1993 OE1 GLU A 126 2.938 -8.322 5.898 1.00 0.00 O ATOM 1994 OE2 GLU A 126 4.883 -8.316 4.973 1.00 0.00 O ATOM 0 H GLU A 126 1.814 -9.196 3.190 1.00 0.00 H new ATOM 0 HA GLU A 126 3.011 -11.905 3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 126 1.842 -10.379 5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.533 -11.989 5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 126 4.345 -10.695 6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.711 -10.817 4.881 1.00 0.00 H new ATOM 2001 N PHE A 127 0.706 -12.836 3.252 1.00 0.00 N ATOM 2002 CA PHE A 127 -0.667 -13.381 3.123 1.00 0.00 C ATOM 2003 C PHE A 127 -1.108 -14.031 4.463 1.00 0.00 C ATOM 2004 O PHE A 127 -0.915 -15.213 4.674 1.00 0.00 O ATOM 2005 CB PHE A 127 -0.630 -14.423 1.998 1.00 0.00 C ATOM 2006 CG PHE A 127 -1.934 -14.441 1.237 1.00 0.00 C ATOM 2007 CD1 PHE A 127 -3.054 -15.047 1.806 1.00 0.00 C ATOM 2008 CD2 PHE A 127 -2.013 -13.870 -0.045 1.00 0.00 C ATOM 2009 CE1 PHE A 127 -4.256 -15.087 1.106 1.00 0.00 C ATOM 2010 CE2 PHE A 127 -3.218 -13.912 -0.749 1.00 0.00 C ATOM 2011 CZ PHE A 127 -4.339 -14.521 -0.174 1.00 0.00 C ATOM 0 H PHE A 127 1.450 -13.474 2.969 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.385 -12.594 2.890 1.00 0.00 H new ATOM 0 HB2 PHE A 127 0.190 -14.199 1.316 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -0.435 -15.410 2.417 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -2.988 -15.486 2.791 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -1.145 -13.401 -0.484 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -5.124 -15.553 1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -3.285 -13.476 -1.735 1.00 0.00 H new ATOM 0 HZ PHE A 127 -5.271 -14.555 -0.718 1.00 0.00 H new ATOM 2021 N ASP A 128 -1.709 -13.291 5.366 1.00 0.00 N ATOM 2022 CA ASP A 128 -2.153 -13.924 6.665 1.00 0.00 C ATOM 2023 C ASP A 128 -3.366 -13.182 7.239 1.00 0.00 C ATOM 2024 O ASP A 128 -3.541 -13.098 8.436 1.00 0.00 O ATOM 2025 CB ASP A 128 -1.007 -13.901 7.687 1.00 0.00 C ATOM 2026 CG ASP A 128 -1.364 -14.791 8.884 1.00 0.00 C ATOM 2027 OD1 ASP A 128 -2.446 -15.359 8.875 1.00 0.00 O ATOM 2028 OD2 ASP A 128 -0.552 -14.888 9.789 1.00 0.00 O ATOM 0 H ASP A 128 -1.911 -12.296 5.270 1.00 0.00 H new ATOM 0 HA ASP A 128 -2.433 -14.958 6.462 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -0.086 -14.252 7.223 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -0.826 -12.880 8.022 1.00 0.00 H new ATOM 2033 N GLU A 129 -4.190 -12.633 6.401 1.00 0.00 N ATOM 2034 CA GLU A 129 -5.380 -11.881 6.893 1.00 0.00 C ATOM 2035 C GLU A 129 -6.461 -12.838 7.435 1.00 0.00 C ATOM 2036 O GLU A 129 -6.919 -13.759 6.761 1.00 0.00 O ATOM 2037 CB GLU A 129 -5.951 -11.070 5.740 1.00 0.00 C ATOM 2038 CG GLU A 129 -4.896 -10.110 5.190 1.00 0.00 C ATOM 2039 CD GLU A 129 -3.825 -10.918 4.457 1.00 0.00 C ATOM 2040 OE1 GLU A 129 -4.159 -11.969 3.948 1.00 0.00 O ATOM 2041 OE2 GLU A 129 -2.690 -10.489 4.428 1.00 0.00 O ATOM 0 H GLU A 129 -4.094 -12.670 5.386 1.00 0.00 H new ATOM 0 HA GLU A 129 -5.072 -11.226 7.708 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -6.290 -11.739 4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -6.822 -10.508 6.078 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -5.357 -9.392 4.511 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -4.447 -9.538 6.002 1.00 0.00 H new ATOM 2048 N GLU A 130 -6.910 -12.600 8.634 1.00 0.00 N ATOM 2049 CA GLU A 130 -7.980 -13.458 9.205 1.00 0.00 C ATOM 2050 C GLU A 130 -9.235 -13.334 8.337 1.00 0.00 C ATOM 2051 O GLU A 130 -10.034 -14.248 8.247 1.00 0.00 O ATOM 2052 CB GLU A 130 -8.268 -13.026 10.650 1.00 0.00 C ATOM 2053 CG GLU A 130 -8.947 -11.651 10.658 1.00 0.00 C ATOM 2054 CD GLU A 130 -9.080 -11.147 12.099 1.00 0.00 C ATOM 2055 OE1 GLU A 130 -9.933 -11.657 12.810 1.00 0.00 O ATOM 2056 OE2 GLU A 130 -8.333 -10.256 12.464 1.00 0.00 O ATOM 0 H GLU A 130 -6.582 -11.849 9.242 1.00 0.00 H new ATOM 0 HA GLU A 130 -7.662 -14.500 9.216 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -8.909 -13.761 11.138 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -7.339 -12.986 11.219 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -8.364 -10.944 10.068 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -9.931 -11.718 10.194 1.00 0.00 H new ATOM 2063 N ARG A 131 -9.420 -12.219 7.681 1.00 0.00 N ATOM 2064 CA ARG A 131 -10.618 -12.093 6.820 1.00 0.00 C ATOM 2065 C ARG A 131 -10.416 -13.032 5.624 1.00 0.00 C ATOM 2066 O ARG A 131 -11.341 -13.415 4.951 1.00 0.00 O ATOM 2067 CB ARG A 131 -10.827 -10.628 6.382 1.00 0.00 C ATOM 2068 CG ARG A 131 -9.935 -10.267 5.198 1.00 0.00 C ATOM 2069 CD ARG A 131 -9.977 -8.752 4.965 1.00 0.00 C ATOM 2070 NE ARG A 131 -11.391 -8.281 4.904 1.00 0.00 N ATOM 2071 CZ ARG A 131 -11.664 -7.013 5.087 1.00 0.00 C ATOM 2072 NH1 ARG A 131 -10.705 -6.167 5.348 1.00 0.00 N ATOM 2073 NH2 ARG A 131 -12.900 -6.592 5.019 1.00 0.00 N ATOM 0 H ARG A 131 -8.803 -11.407 7.706 1.00 0.00 H new ATOM 0 HA ARG A 131 -11.521 -12.376 7.361 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -11.872 -10.473 6.113 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -10.611 -9.963 7.218 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -8.911 -10.587 5.390 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -10.270 -10.792 4.304 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -9.449 -8.238 5.768 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -9.463 -8.505 4.036 1.00 0.00 H new ATOM 0 HE ARG A 131 -12.143 -8.945 4.720 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -9.740 -6.493 5.410 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -10.920 -5.180 5.490 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -13.653 -7.251 4.823 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -13.111 -5.604 5.162 1.00 0.00 H new ATOM 2087 N ALA A 132 -9.196 -13.429 5.372 1.00 0.00 N ATOM 2088 CA ALA A 132 -8.940 -14.354 4.235 1.00 0.00 C ATOM 2089 C ALA A 132 -9.653 -15.661 4.479 1.00 0.00 C ATOM 2090 O ALA A 132 -10.320 -16.189 3.614 1.00 0.00 O ATOM 2091 CB ALA A 132 -7.441 -14.645 4.127 1.00 0.00 C ATOM 0 H ALA A 132 -8.371 -13.153 5.904 1.00 0.00 H new ATOM 0 HA ALA A 132 -9.299 -13.888 3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.261 -15.323 3.293 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -6.901 -13.713 3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -7.092 -15.107 5.051 1.00 0.00 H new ATOM 2097 N GLN A 133 -9.510 -16.215 5.634 1.00 0.00 N ATOM 2098 CA GLN A 133 -10.185 -17.524 5.865 1.00 0.00 C ATOM 2099 C GLN A 133 -11.722 -17.366 5.799 1.00 0.00 C ATOM 2100 O GLN A 133 -12.407 -18.133 5.138 1.00 0.00 O ATOM 2101 CB GLN A 133 -9.726 -18.100 7.213 1.00 0.00 C ATOM 2102 CG GLN A 133 -10.559 -17.540 8.368 1.00 0.00 C ATOM 2103 CD GLN A 133 -9.848 -17.849 9.682 1.00 0.00 C ATOM 2104 OE1 GLN A 133 -8.904 -17.182 10.047 1.00 0.00 O ATOM 2105 NE2 GLN A 133 -10.259 -18.852 10.403 1.00 0.00 N ATOM 0 H GLN A 133 -8.973 -15.840 6.416 1.00 0.00 H new ATOM 0 HA GLN A 133 -9.905 -18.224 5.078 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -9.810 -19.187 7.194 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -8.674 -17.864 7.373 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -10.688 -16.464 8.253 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -11.555 -17.983 8.365 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -11.054 -19.411 10.093 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -9.786 -19.079 11.278 1.00 0.00 H new ATOM 2114 N GLN A 134 -12.277 -16.382 6.458 1.00 0.00 N ATOM 2115 CA GLN A 134 -13.766 -16.207 6.409 1.00 0.00 C ATOM 2116 C GLN A 134 -14.217 -15.541 5.096 1.00 0.00 C ATOM 2117 O GLN A 134 -15.238 -15.900 4.541 1.00 0.00 O ATOM 2118 CB GLN A 134 -14.241 -15.388 7.610 1.00 0.00 C ATOM 2119 CG GLN A 134 -13.384 -14.137 7.740 1.00 0.00 C ATOM 2120 CD GLN A 134 -13.890 -13.283 8.901 1.00 0.00 C ATOM 2121 OE1 GLN A 134 -14.045 -13.764 10.007 1.00 0.00 O ATOM 2122 NE2 GLN A 134 -14.166 -12.026 8.692 1.00 0.00 N ATOM 0 H GLN A 134 -11.774 -15.698 7.023 1.00 0.00 H new ATOM 0 HA GLN A 134 -14.219 -17.198 6.449 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -15.288 -15.113 7.485 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -14.174 -15.984 8.520 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -12.343 -14.414 7.907 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -13.417 -13.564 6.813 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -14.036 -11.623 7.764 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -14.512 -11.446 9.456 1.00 0.00 H new ATOM 2131 N GLU A 135 -13.490 -14.578 4.586 1.00 0.00 N ATOM 2132 CA GLU A 135 -13.940 -13.934 3.313 1.00 0.00 C ATOM 2133 C GLU A 135 -13.838 -14.944 2.163 1.00 0.00 C ATOM 2134 O GLU A 135 -14.614 -14.907 1.225 1.00 0.00 O ATOM 2135 CB GLU A 135 -13.102 -12.668 3.014 1.00 0.00 C ATOM 2136 CG GLU A 135 -11.787 -13.025 2.284 1.00 0.00 C ATOM 2137 CD GLU A 135 -12.016 -12.998 0.768 1.00 0.00 C ATOM 2138 OE1 GLU A 135 -12.262 -11.921 0.250 1.00 0.00 O ATOM 2139 OE2 GLU A 135 -11.954 -14.052 0.159 1.00 0.00 O ATOM 0 H GLU A 135 -12.624 -14.216 4.985 1.00 0.00 H new ATOM 0 HA GLU A 135 -14.980 -13.624 3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.685 -11.980 2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -12.874 -12.151 3.946 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -11.004 -12.317 2.556 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -11.445 -14.013 2.593 1.00 0.00 H new ATOM 2146 N ASP A 136 -12.898 -15.854 2.229 1.00 0.00 N ATOM 2147 CA ASP A 136 -12.779 -16.860 1.135 1.00 0.00 C ATOM 2148 C ASP A 136 -14.070 -17.653 1.070 1.00 0.00 C ATOM 2149 O ASP A 136 -14.632 -17.862 0.016 1.00 0.00 O ATOM 2150 CB ASP A 136 -11.627 -17.814 1.420 1.00 0.00 C ATOM 2151 CG ASP A 136 -11.427 -18.743 0.217 1.00 0.00 C ATOM 2152 OD1 ASP A 136 -12.321 -19.524 -0.063 1.00 0.00 O ATOM 2153 OD2 ASP A 136 -10.380 -18.661 -0.399 1.00 0.00 O ATOM 0 H ASP A 136 -12.217 -15.942 2.983 1.00 0.00 H new ATOM 0 HA ASP A 136 -12.591 -16.349 0.191 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -10.714 -17.251 1.615 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -11.838 -18.400 2.315 1.00 0.00 H new ATOM 2158 N ALA A 137 -14.554 -18.096 2.189 1.00 0.00 N ATOM 2159 CA ALA A 137 -15.822 -18.857 2.167 1.00 0.00 C ATOM 2160 C ALA A 137 -16.930 -17.954 1.601 1.00 0.00 C ATOM 2161 O ALA A 137 -17.727 -18.368 0.784 1.00 0.00 O ATOM 2162 CB ALA A 137 -16.167 -19.311 3.591 1.00 0.00 C ATOM 0 H ALA A 137 -14.131 -17.966 3.108 1.00 0.00 H new ATOM 0 HA ALA A 137 -15.725 -19.741 1.536 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -17.101 -19.872 3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -15.368 -19.946 3.974 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -16.277 -18.438 4.235 1.00 0.00 H new ATOM 2168 N LEU A 138 -16.971 -16.715 2.024 1.00 0.00 N ATOM 2169 CA LEU A 138 -18.009 -15.772 1.513 1.00 0.00 C ATOM 2170 C LEU A 138 -17.583 -15.214 0.146 1.00 0.00 C ATOM 2171 O LEU A 138 -18.325 -14.503 -0.502 1.00 0.00 O ATOM 2172 CB LEU A 138 -18.179 -14.615 2.504 1.00 0.00 C ATOM 2173 CG LEU A 138 -18.612 -15.157 3.874 1.00 0.00 C ATOM 2174 CD1 LEU A 138 -18.706 -13.997 4.869 1.00 0.00 C ATOM 2175 CD2 LEU A 138 -19.985 -15.852 3.766 1.00 0.00 C ATOM 0 H LEU A 138 -16.326 -16.316 2.705 1.00 0.00 H new ATOM 0 HA LEU A 138 -18.954 -16.305 1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -17.242 -14.067 2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -18.923 -13.911 2.130 1.00 0.00 H new ATOM 0 HG LEU A 138 -17.875 -15.883 4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -19.013 -14.377 5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -17.733 -13.514 4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -19.439 -13.272 4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -20.279 -16.231 4.745 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -20.729 -15.136 3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -19.919 -16.681 3.061 1.00 0.00 H new ATOM 2187 N ALA A 139 -16.397 -15.522 -0.299 1.00 0.00 N ATOM 2188 CA ALA A 139 -15.942 -15.000 -1.621 1.00 0.00 C ATOM 2189 C ALA A 139 -16.797 -15.624 -2.731 1.00 0.00 C ATOM 2190 O ALA A 139 -16.853 -15.128 -3.839 1.00 0.00 O ATOM 2191 CB ALA A 139 -14.469 -15.359 -1.821 1.00 0.00 C ATOM 0 H ALA A 139 -15.724 -16.110 0.192 1.00 0.00 H new ATOM 0 HA ALA A 139 -16.052 -13.916 -1.655 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -14.130 -14.981 -2.785 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -13.874 -14.910 -1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.352 -16.442 -1.795 1.00 0.00 H new ATOM 2197 N GLN A 140 -17.462 -16.715 -2.436 1.00 0.00 N ATOM 2198 CA GLN A 140 -18.312 -17.385 -3.464 1.00 0.00 C ATOM 2199 C GLN A 140 -19.615 -16.596 -3.663 1.00 0.00 C ATOM 2200 O GLN A 140 -20.118 -15.963 -2.755 1.00 0.00 O ATOM 2201 CB GLN A 140 -18.660 -18.803 -2.997 1.00 0.00 C ATOM 2202 CG GLN A 140 -17.380 -19.597 -2.719 1.00 0.00 C ATOM 2203 CD GLN A 140 -17.755 -21.022 -2.295 1.00 0.00 C ATOM 2204 OE1 GLN A 140 -18.851 -21.254 -1.828 1.00 0.00 O ATOM 2205 NE2 GLN A 140 -16.889 -21.988 -2.432 1.00 0.00 N ATOM 0 H GLN A 140 -17.451 -17.170 -1.523 1.00 0.00 H new ATOM 0 HA GLN A 140 -17.762 -17.426 -4.404 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -19.271 -18.757 -2.096 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -19.253 -19.309 -3.759 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -16.753 -19.623 -3.610 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -16.800 -19.112 -1.934 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -15.967 -21.795 -2.824 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -17.133 -22.936 -2.147 1.00 0.00 H new ATOM 2214 N GLN A 141 -20.165 -16.646 -4.851 1.00 0.00 N ATOM 2215 CA GLN A 141 -21.441 -15.922 -5.148 1.00 0.00 C ATOM 2216 C GLN A 141 -22.624 -16.883 -4.977 1.00 0.00 C ATOM 2217 O GLN A 141 -22.484 -17.842 -4.237 1.00 0.00 O ATOM 2218 CB GLN A 141 -21.405 -15.415 -6.595 1.00 0.00 C ATOM 2219 CG GLN A 141 -21.274 -16.612 -7.546 1.00 0.00 C ATOM 2220 CD GLN A 141 -21.128 -16.120 -8.988 1.00 0.00 C ATOM 2221 OE1 GLN A 141 -20.237 -15.356 -9.297 1.00 0.00 O ATOM 2222 NE2 GLN A 141 -21.976 -16.535 -9.891 1.00 0.00 N ATOM 2223 OXT GLN A 141 -23.646 -16.645 -5.601 1.00 0.00 O ATOM 0 H GLN A 141 -19.778 -17.165 -5.639 1.00 0.00 H new ATOM 0 HA GLN A 141 -21.554 -15.081 -4.464 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -22.313 -14.855 -6.819 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -20.567 -14.732 -6.733 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -20.409 -17.214 -7.269 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -22.150 -17.254 -7.459 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -22.725 -17.177 -9.631 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -21.889 -16.217 -10.856 1.00 0.00 H new TER 2232 GLN A 141