USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 718 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 30 SER OG : rot 180:sc= -0.24 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.261 USER MOD Single : A 44 GLN : amide:sc= -0.0689 X(o=-0.069,f=-0.23) USER MOD Single : A 50 LYS NZ :NH3+ 177:sc= 0.65 (180deg=0.645) USER MOD Single : A 53 MET CE :methyl 174:sc= -0.244 (180deg=-0.278) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 59 ASN : amide:sc= -0.0195 X(o=-0.02,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0332 X(o=-0.033,f=-0.19) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -80:sc= 1.36 USER MOD Single : A 68 ASN : amide:sc= 0.445 K(o=0.44,f=-1.2) USER MOD Single : A 69 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.3!) USER MOD Single : A 71 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0468) USER MOD Single : A 74 THR OG1 : rot 86:sc= 0.531 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.0783 X(o=-0.078,f=-0.55) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 95 ASN : amide:sc= -0.0372 K(o=-0.037,f=-1.3!) USER MOD Single : A 96 GLN : amide:sc= 0.918 K(o=0.92,f=-4.7!) USER MOD Single : A 101 SER OG : rot 180:sc= 0.533 USER MOD Single : A 106 LYS NZ :NH3+ 174:sc= 1.11 (180deg=1.08) USER MOD Single : A 107 ASN : amide:sc= -0.414 K(o=-0.41,f=-2!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -0.0252 K(o=-0.025,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 -3.152 -11.746 -27.746 1.00 0.00 N ATOM 2 CA GLY A 29 -3.707 -11.689 -29.085 1.00 0.00 C ATOM 3 C GLY A 29 -4.734 -12.776 -29.335 1.00 0.00 C ATOM 4 O GLY A 29 -4.495 -13.695 -30.119 1.00 0.00 O ATOM 0 HA2 GLY A 29 -4.169 -10.714 -29.242 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.901 -11.781 -29.813 1.00 0.00 H new ATOM 10 N SER A 30 -5.880 -12.673 -28.668 1.00 0.00 N ATOM 11 CA SER A 30 -6.962 -13.630 -28.856 1.00 0.00 C ATOM 12 C SER A 30 -7.910 -13.167 -29.959 1.00 0.00 C ATOM 13 O SER A 30 -7.474 -12.772 -31.039 1.00 0.00 O ATOM 14 CB SER A 30 -7.717 -13.830 -27.555 1.00 0.00 C ATOM 15 OG SER A 30 -8.373 -12.663 -27.143 1.00 0.00 O ATOM 0 H SER A 30 -6.082 -11.936 -27.993 1.00 0.00 H new ATOM 0 HA SER A 30 -6.529 -14.583 -29.160 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.446 -14.631 -27.679 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.022 -14.149 -26.778 1.00 0.00 H new ATOM 0 HG SER A 30 -8.848 -12.834 -26.303 1.00 0.00 H new ATOM 21 N GLU A 31 -9.208 -13.219 -29.676 1.00 0.00 N ATOM 22 CA GLU A 31 -10.172 -12.358 -30.350 1.00 0.00 C ATOM 23 C GLU A 31 -11.559 -12.504 -29.732 1.00 0.00 C ATOM 24 O GLU A 31 -12.536 -12.765 -30.432 1.00 0.00 O ATOM 25 CB GLU A 31 -10.223 -12.678 -31.846 1.00 0.00 C ATOM 26 CG GLU A 31 -11.147 -11.776 -32.651 1.00 0.00 C ATOM 27 CD GLU A 31 -11.111 -12.123 -34.114 1.00 0.00 C ATOM 28 OE1 GLU A 31 -10.399 -13.030 -34.472 1.00 0.00 O ATOM 29 OE2 GLU A 31 -11.878 -11.557 -34.857 1.00 0.00 O ATOM 0 H GLU A 31 -9.616 -13.848 -28.985 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.848 -11.325 -30.223 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.216 -12.604 -32.255 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.543 -13.712 -31.973 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.167 -11.870 -32.278 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.853 -10.735 -32.514 1.00 0.00 H new ATOM 36 N GLU A 32 -11.635 -12.337 -28.416 1.00 0.00 N ATOM 37 CA GLU A 32 -12.898 -12.472 -27.700 1.00 0.00 C ATOM 38 C GLU A 32 -12.923 -11.575 -26.466 1.00 0.00 C ATOM 39 O GLU A 32 -13.500 -10.487 -26.487 1.00 0.00 O ATOM 40 CB GLU A 32 -13.135 -13.930 -27.299 1.00 0.00 C ATOM 41 CG GLU A 32 -14.471 -14.186 -26.619 1.00 0.00 C ATOM 42 CD GLU A 32 -14.664 -15.647 -26.323 1.00 0.00 C ATOM 43 OE1 GLU A 32 -13.790 -16.417 -26.640 1.00 0.00 O ATOM 44 OE2 GLU A 32 -15.631 -15.981 -25.680 1.00 0.00 O ATOM 0 H GLU A 32 -10.837 -12.108 -27.824 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.700 -12.158 -28.369 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.069 -14.554 -28.190 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.334 -14.245 -26.630 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.525 -13.615 -25.692 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -15.280 -13.833 -27.258 1.00 0.00 H new ATOM 51 N LYS A 33 -12.293 -12.038 -25.392 1.00 0.00 N ATOM 52 CA LYS A 33 -12.307 -11.315 -24.127 1.00 0.00 C ATOM 53 C LYS A 33 -10.886 -11.044 -23.640 1.00 0.00 C ATOM 54 O LYS A 33 -9.917 -11.496 -24.246 1.00 0.00 O ATOM 55 CB LYS A 33 -13.088 -12.097 -23.070 1.00 0.00 C ATOM 56 CG LYS A 33 -14.594 -12.123 -23.291 1.00 0.00 C ATOM 57 CD LYS A 33 -15.300 -12.931 -22.212 1.00 0.00 C ATOM 58 CE LYS A 33 -16.805 -12.953 -22.431 1.00 0.00 C ATOM 59 NZ LYS A 33 -17.511 -13.706 -21.359 1.00 0.00 N ATOM 0 H LYS A 33 -11.766 -12.911 -25.373 1.00 0.00 H new ATOM 0 HA LYS A 33 -12.803 -10.358 -24.291 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.719 -13.122 -23.048 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.884 -11.664 -22.091 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -14.980 -11.104 -23.296 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -14.812 -12.551 -24.269 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -14.916 -13.951 -22.209 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -15.079 -12.505 -21.233 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -17.182 -11.931 -22.465 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -17.025 -13.406 -23.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -18.534 -13.698 -21.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -17.170 -14.688 -21.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -17.323 -13.259 -20.439 1.00 0.00 H new ATOM 73 N GLU A 34 -10.774 -10.304 -22.542 1.00 0.00 N ATOM 74 CA GLU A 34 -9.471 -9.889 -22.031 1.00 0.00 C ATOM 75 C GLU A 34 -8.990 -10.839 -20.937 1.00 0.00 C ATOM 76 O GLU A 34 -9.777 -11.587 -20.359 1.00 0.00 O ATOM 77 CB GLU A 34 -9.533 -8.457 -21.499 1.00 0.00 C ATOM 78 CG GLU A 34 -9.848 -7.406 -22.554 1.00 0.00 C ATOM 79 CD GLU A 34 -9.872 -6.025 -21.960 1.00 0.00 C ATOM 80 OE1 GLU A 34 -9.695 -5.907 -20.772 1.00 0.00 O ATOM 81 OE2 GLU A 34 -9.954 -5.080 -22.709 1.00 0.00 O ATOM 0 H GLU A 34 -11.567 -9.979 -21.989 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.758 -9.924 -22.855 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.290 -8.406 -20.716 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.577 -8.213 -21.035 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.102 -7.450 -23.348 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.813 -7.624 -23.011 1.00 0.00 H new ATOM 88 N GLU A 35 -7.691 -10.801 -20.658 1.00 0.00 N ATOM 89 CA GLU A 35 -7.084 -11.736 -19.718 1.00 0.00 C ATOM 90 C GLU A 35 -7.190 -11.212 -18.288 1.00 0.00 C ATOM 91 O GLU A 35 -7.082 -10.012 -18.044 1.00 0.00 O ATOM 92 CB GLU A 35 -5.620 -11.990 -20.080 1.00 0.00 C ATOM 93 CG GLU A 35 -5.415 -12.673 -21.426 1.00 0.00 C ATOM 94 CD GLU A 35 -3.955 -12.886 -21.714 1.00 0.00 C ATOM 95 OE1 GLU A 35 -3.147 -12.496 -20.907 1.00 0.00 O ATOM 96 OE2 GLU A 35 -3.651 -13.537 -22.685 1.00 0.00 O ATOM 0 H GLU A 35 -7.039 -10.133 -21.069 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.627 -12.679 -19.782 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.089 -11.038 -20.084 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.167 -12.604 -19.302 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.933 -13.632 -21.432 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.859 -12.066 -22.215 1.00 0.00 H new ATOM 103 N LYS A 36 -7.402 -12.126 -17.345 1.00 0.00 N ATOM 104 CA LYS A 36 -7.481 -11.765 -15.934 1.00 0.00 C ATOM 105 C LYS A 36 -6.115 -11.349 -15.401 1.00 0.00 C ATOM 106 O LYS A 36 -5.449 -12.118 -14.707 1.00 0.00 O ATOM 107 CB LYS A 36 -8.039 -12.928 -15.112 1.00 0.00 C ATOM 108 CG LYS A 36 -9.509 -13.236 -15.373 1.00 0.00 C ATOM 109 CD LYS A 36 -10.006 -14.358 -14.474 1.00 0.00 C ATOM 110 CE LYS A 36 -11.464 -14.688 -14.757 1.00 0.00 C ATOM 111 NZ LYS A 36 -11.966 -15.784 -13.883 1.00 0.00 N ATOM 0 H LYS A 36 -7.522 -13.121 -17.533 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.158 -10.916 -15.841 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.450 -13.821 -15.323 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.910 -12.703 -14.053 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.106 -12.340 -15.204 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.644 -13.517 -16.417 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.394 -15.247 -14.626 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.893 -14.067 -13.430 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.073 -13.797 -14.607 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.574 -14.978 -15.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.963 -15.978 -14.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.401 -16.642 -14.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.885 -15.498 -12.886 1.00 0.00 H new ATOM 125 N LYS A 37 -5.704 -10.128 -15.726 1.00 0.00 N ATOM 126 CA LYS A 37 -4.425 -9.603 -15.266 1.00 0.00 C ATOM 127 C LYS A 37 -4.624 -8.581 -14.152 1.00 0.00 C ATOM 128 O LYS A 37 -5.698 -7.992 -14.019 1.00 0.00 O ATOM 129 CB LYS A 37 -3.653 -8.973 -16.426 1.00 0.00 C ATOM 130 CG LYS A 37 -2.235 -8.541 -16.079 1.00 0.00 C ATOM 131 CD LYS A 37 -1.504 -8.004 -17.300 1.00 0.00 C ATOM 132 CE LYS A 37 -0.091 -7.559 -16.950 1.00 0.00 C ATOM 133 NZ LYS A 37 0.616 -6.978 -18.123 1.00 0.00 N ATOM 0 H LYS A 37 -6.239 -9.483 -16.307 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.844 -10.436 -14.870 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.611 -9.687 -17.248 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.206 -8.105 -16.785 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.266 -7.774 -15.305 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.686 -9.388 -15.667 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.464 -8.774 -18.070 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.059 -7.164 -17.718 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.131 -6.821 -16.149 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.474 -8.411 -16.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.574 -6.688 -17.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.677 -7.690 -18.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.091 -6.150 -18.469 1.00 0.00 H new ATOM 147 N VAL A 38 -3.584 -8.373 -13.350 1.00 0.00 N ATOM 148 CA VAL A 38 -3.663 -7.463 -12.215 1.00 0.00 C ATOM 149 C VAL A 38 -3.613 -6.009 -12.670 1.00 0.00 C ATOM 150 O VAL A 38 -3.311 -5.721 -13.826 1.00 0.00 O ATOM 151 CB VAL A 38 -2.524 -7.716 -11.208 1.00 0.00 C ATOM 152 CG1 VAL A 38 -2.548 -9.159 -10.728 1.00 0.00 C ATOM 153 CG2 VAL A 38 -1.178 -7.386 -11.834 1.00 0.00 C ATOM 0 H VAL A 38 -2.676 -8.823 -13.466 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.618 -7.654 -11.725 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.674 -7.064 -10.347 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.737 -9.320 -10.018 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.502 -9.365 -10.242 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.422 -9.828 -11.579 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.385 -7.570 -11.109 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.021 -8.014 -12.711 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.162 -6.337 -12.131 1.00 0.00 H new ATOM 163 N ARG A 39 -3.913 -5.096 -11.752 1.00 0.00 N ATOM 164 CA ARG A 39 -3.906 -3.672 -12.060 1.00 0.00 C ATOM 165 C ARG A 39 -2.504 -3.089 -11.909 1.00 0.00 C ATOM 166 O ARG A 39 -1.727 -3.529 -11.061 1.00 0.00 O ATOM 167 CB ARG A 39 -4.925 -2.898 -11.235 1.00 0.00 C ATOM 168 CG ARG A 39 -6.366 -3.350 -11.414 1.00 0.00 C ATOM 169 CD ARG A 39 -6.898 -3.168 -12.788 1.00 0.00 C ATOM 170 NE ARG A 39 -6.899 -1.792 -13.258 1.00 0.00 N ATOM 171 CZ ARG A 39 -7.876 -0.899 -13.007 1.00 0.00 C ATOM 172 NH1 ARG A 39 -8.948 -1.240 -12.326 1.00 0.00 N ATOM 173 NH2 ARG A 39 -7.740 0.326 -13.484 1.00 0.00 N ATOM 0 H ARG A 39 -4.164 -5.318 -10.789 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.205 -3.566 -13.103 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.660 -2.985 -10.181 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.855 -1.842 -11.495 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.440 -4.404 -11.145 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.997 -2.798 -10.717 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.307 -3.773 -13.476 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.918 -3.551 -12.823 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.104 -1.481 -13.817 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.050 -2.194 -11.979 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.678 -0.551 -12.145 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.912 0.573 -14.026 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.463 1.024 -13.310 1.00 0.00 H new ATOM 187 N GLU A 40 -2.187 -2.099 -12.737 1.00 0.00 N ATOM 188 CA GLU A 40 -0.801 -1.698 -12.952 1.00 0.00 C ATOM 189 C GLU A 40 -0.444 -0.491 -12.090 1.00 0.00 C ATOM 190 O GLU A 40 -1.278 0.021 -11.342 1.00 0.00 O ATOM 191 CB GLU A 40 -0.556 -1.382 -14.428 1.00 0.00 C ATOM 192 CG GLU A 40 -1.269 -0.135 -14.933 1.00 0.00 C ATOM 193 CD GLU A 40 -1.130 0.010 -16.422 1.00 0.00 C ATOM 194 OE1 GLU A 40 -0.520 -0.839 -17.028 1.00 0.00 O ATOM 195 OE2 GLU A 40 -1.724 0.908 -16.970 1.00 0.00 O ATOM 0 H GLU A 40 -2.870 -1.560 -13.270 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.161 -2.531 -12.661 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.516 -1.262 -14.588 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.875 -2.235 -15.027 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.325 -0.185 -14.668 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.858 0.746 -14.440 1.00 0.00 H new ATOM 202 N LEU A 41 0.800 -0.040 -12.201 1.00 0.00 N ATOM 203 CA LEU A 41 1.281 1.081 -11.399 1.00 0.00 C ATOM 204 C LEU A 41 1.141 2.395 -12.161 1.00 0.00 C ATOM 205 O LEU A 41 2.060 2.821 -12.860 1.00 0.00 O ATOM 206 CB LEU A 41 2.742 0.860 -11.004 1.00 0.00 C ATOM 207 CG LEU A 41 2.981 -0.020 -9.777 1.00 0.00 C ATOM 208 CD1 LEU A 41 2.152 0.469 -8.600 1.00 0.00 C ATOM 209 CD2 LEU A 41 2.657 -1.474 -10.092 1.00 0.00 C ATOM 0 H LEU A 41 1.494 -0.432 -12.837 1.00 0.00 H new ATOM 0 HA LEU A 41 0.672 1.139 -10.497 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.263 0.415 -11.852 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.199 1.833 -10.823 1.00 0.00 H new ATOM 0 HG LEU A 41 4.035 0.046 -9.506 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.335 -0.169 -7.736 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.432 1.495 -8.359 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.094 0.433 -8.860 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.833 -2.086 -9.207 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.612 -1.558 -10.389 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.294 -1.821 -10.905 1.00 0.00 H new ATOM 221 N THR A 42 -0.015 3.034 -12.020 1.00 0.00 N ATOM 222 CA THR A 42 -0.222 4.370 -12.565 1.00 0.00 C ATOM 223 C THR A 42 -0.188 5.424 -11.464 1.00 0.00 C ATOM 224 O THR A 42 -0.416 5.137 -10.289 1.00 0.00 O ATOM 225 CB THR A 42 -1.562 4.472 -13.319 1.00 0.00 C ATOM 226 OG1 THR A 42 -2.646 4.283 -12.399 1.00 0.00 O ATOM 227 CG2 THR A 42 -1.640 3.417 -14.412 1.00 0.00 C ATOM 0 H THR A 42 -0.823 2.648 -11.532 1.00 0.00 H new ATOM 0 HA THR A 42 0.592 4.554 -13.266 1.00 0.00 H new ATOM 0 HB THR A 42 -1.631 5.459 -13.775 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.498 4.350 -12.879 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.593 3.504 -14.934 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.824 3.565 -15.119 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.559 2.425 -13.967 1.00 0.00 H new ATOM 235 N PRO A 43 0.104 6.675 -11.852 1.00 0.00 N ATOM 236 CA PRO A 43 0.057 7.818 -10.936 1.00 0.00 C ATOM 237 C PRO A 43 -1.319 8.001 -10.305 1.00 0.00 C ATOM 238 O PRO A 43 -1.438 8.496 -9.185 1.00 0.00 O ATOM 239 CB PRO A 43 0.443 9.012 -11.815 1.00 0.00 C ATOM 240 CG PRO A 43 0.131 8.566 -13.202 1.00 0.00 C ATOM 241 CD PRO A 43 0.449 7.095 -13.231 1.00 0.00 C ATOM 0 HA PRO A 43 0.727 7.689 -10.086 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -0.125 9.903 -11.547 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.498 9.261 -11.706 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.916 8.746 -13.446 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.728 9.111 -13.933 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.142 6.565 -13.978 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.498 6.909 -13.463 1.00 0.00 H new ATOM 249 N GLN A 44 -2.356 7.597 -11.033 1.00 0.00 N ATOM 250 CA GLN A 44 -3.717 7.637 -10.511 1.00 0.00 C ATOM 251 C GLN A 44 -3.903 6.614 -9.395 1.00 0.00 C ATOM 252 O GLN A 44 -4.485 6.917 -8.354 1.00 0.00 O ATOM 253 CB GLN A 44 -4.731 7.375 -11.628 1.00 0.00 C ATOM 254 CG GLN A 44 -6.182 7.489 -11.193 1.00 0.00 C ATOM 255 CD GLN A 44 -6.536 8.888 -10.725 1.00 0.00 C ATOM 256 OE1 GLN A 44 -6.185 9.881 -11.370 1.00 0.00 O ATOM 257 NE2 GLN A 44 -7.232 8.975 -9.596 1.00 0.00 N ATOM 0 H GLN A 44 -2.279 7.239 -11.985 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.888 8.633 -10.103 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.551 8.080 -12.440 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.562 6.376 -12.030 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.831 7.212 -12.024 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.374 6.780 -10.388 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.501 8.128 -9.096 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.497 9.889 -9.230 1.00 0.00 H new ATOM 266 N GLU A 45 -3.405 5.403 -9.619 1.00 0.00 N ATOM 267 CA GLU A 45 -3.462 4.353 -8.609 1.00 0.00 C ATOM 268 C GLU A 45 -2.548 4.679 -7.432 1.00 0.00 C ATOM 269 O GLU A 45 -2.818 4.289 -6.295 1.00 0.00 O ATOM 270 CB GLU A 45 -3.081 3.002 -9.217 1.00 0.00 C ATOM 271 CG GLU A 45 -4.156 2.385 -10.102 1.00 0.00 C ATOM 272 CD GLU A 45 -5.435 2.175 -9.341 1.00 0.00 C ATOM 273 OE1 GLU A 45 -5.391 1.571 -8.295 1.00 0.00 O ATOM 274 OE2 GLU A 45 -6.438 2.713 -9.745 1.00 0.00 O ATOM 0 H GLU A 45 -2.957 5.124 -10.492 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.486 4.294 -8.241 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.171 3.125 -9.804 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.848 2.307 -8.410 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.342 3.034 -10.958 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.803 1.431 -10.495 1.00 0.00 H new ATOM 281 N LEU A 46 -1.466 5.395 -7.712 1.00 0.00 N ATOM 282 CA LEU A 46 -0.482 5.728 -6.687 1.00 0.00 C ATOM 283 C LEU A 46 -0.998 6.838 -5.778 1.00 0.00 C ATOM 284 O LEU A 46 -0.797 6.802 -4.565 1.00 0.00 O ATOM 285 CB LEU A 46 0.845 6.140 -7.337 1.00 0.00 C ATOM 286 CG LEU A 46 1.605 5.012 -8.043 1.00 0.00 C ATOM 287 CD1 LEU A 46 2.819 5.573 -8.772 1.00 0.00 C ATOM 288 CD2 LEU A 46 2.027 3.965 -7.021 1.00 0.00 C ATOM 0 H LEU A 46 -1.247 5.757 -8.640 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.312 4.842 -6.076 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.646 6.931 -8.061 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.490 6.566 -6.569 1.00 0.00 H new ATOM 0 HG LEU A 46 0.953 4.542 -8.779 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.351 4.762 -9.270 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.493 6.302 -9.514 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.483 6.056 -8.055 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.567 3.163 -7.524 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.673 4.426 -6.274 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.142 3.556 -6.533 1.00 0.00 H new ATOM 300 N GLU A 47 -1.665 7.822 -6.373 1.00 0.00 N ATOM 301 CA GLU A 47 -2.130 8.987 -5.631 1.00 0.00 C ATOM 302 C GLU A 47 -3.176 8.589 -4.592 1.00 0.00 C ATOM 303 O GLU A 47 -3.119 9.021 -3.440 1.00 0.00 O ATOM 304 CB GLU A 47 -2.703 10.038 -6.584 1.00 0.00 C ATOM 305 CG GLU A 47 -1.658 10.927 -7.241 1.00 0.00 C ATOM 306 CD GLU A 47 -0.890 11.718 -6.218 1.00 0.00 C ATOM 307 OE1 GLU A 47 -1.511 12.351 -5.397 1.00 0.00 O ATOM 308 OE2 GLU A 47 0.312 11.600 -6.183 1.00 0.00 O ATOM 0 H GLU A 47 -1.895 7.835 -7.367 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.275 9.418 -5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.273 9.532 -7.363 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.403 10.667 -6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.969 10.313 -7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.144 11.608 -7.940 1.00 0.00 H new ATOM 315 N LEU A 48 -4.129 7.764 -5.010 1.00 0.00 N ATOM 316 CA LEU A 48 -5.250 7.394 -4.152 1.00 0.00 C ATOM 317 C LEU A 48 -4.774 6.578 -2.955 1.00 0.00 C ATOM 318 O LEU A 48 -5.337 6.668 -1.864 1.00 0.00 O ATOM 319 CB LEU A 48 -6.286 6.598 -4.948 1.00 0.00 C ATOM 320 CG LEU A 48 -5.929 5.140 -5.244 1.00 0.00 C ATOM 321 CD1 LEU A 48 -6.333 4.245 -4.083 1.00 0.00 C ATOM 322 CD2 LEU A 48 -6.596 4.680 -6.532 1.00 0.00 C ATOM 0 H LEU A 48 -4.149 7.339 -5.937 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.711 8.310 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.228 6.617 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.458 7.109 -5.895 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.849 5.068 -5.371 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.071 3.212 -4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.809 4.561 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.409 4.320 -3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.332 3.641 -6.728 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.678 4.767 -6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.257 5.303 -7.360 1.00 0.00 H new ATOM 334 N PHE A 49 -3.732 5.781 -3.165 1.00 0.00 N ATOM 335 CA PHE A 49 -3.154 4.976 -2.095 1.00 0.00 C ATOM 336 C PHE A 49 -2.478 5.863 -1.053 1.00 0.00 C ATOM 337 O PHE A 49 -2.769 5.771 0.139 1.00 0.00 O ATOM 338 CB PHE A 49 -2.155 3.966 -2.661 1.00 0.00 C ATOM 339 CG PHE A 49 -1.553 3.062 -1.623 1.00 0.00 C ATOM 340 CD1 PHE A 49 -2.219 1.920 -1.207 1.00 0.00 C ATOM 341 CD2 PHE A 49 -0.319 3.352 -1.060 1.00 0.00 C ATOM 342 CE1 PHE A 49 -1.666 1.087 -0.253 1.00 0.00 C ATOM 343 CE2 PHE A 49 0.237 2.523 -0.107 1.00 0.00 C ATOM 344 CZ PHE A 49 -0.438 1.388 0.297 1.00 0.00 C ATOM 0 H PHE A 49 -3.270 5.675 -4.068 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.962 4.430 -1.609 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.655 3.357 -3.414 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.355 4.505 -3.168 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.181 1.678 -1.633 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.214 4.238 -1.372 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.196 0.200 0.062 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.199 2.762 0.322 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.005 0.737 1.042 1.00 0.00 H new ATOM 354 N LYS A 50 -1.571 6.719 -1.512 1.00 0.00 N ATOM 355 CA LYS A 50 -0.894 7.663 -0.633 1.00 0.00 C ATOM 356 C LYS A 50 -1.888 8.651 -0.028 1.00 0.00 C ATOM 357 O LYS A 50 -1.644 9.215 1.039 1.00 0.00 O ATOM 358 CB LYS A 50 0.202 8.412 -1.389 1.00 0.00 C ATOM 359 CG LYS A 50 -0.310 9.355 -2.470 1.00 0.00 C ATOM 360 CD LYS A 50 0.824 10.160 -3.085 1.00 0.00 C ATOM 361 CE LYS A 50 1.635 9.319 -4.060 1.00 0.00 C ATOM 362 NZ LYS A 50 2.530 10.154 -4.906 1.00 0.00 N ATOM 0 H LYS A 50 -1.288 6.778 -2.490 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.434 7.098 0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.793 8.985 -0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.873 7.685 -1.846 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.814 8.781 -3.247 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.050 10.032 -2.044 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.417 11.029 -3.602 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.476 10.535 -2.296 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.232 8.595 -3.505 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.958 8.751 -4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.101 9.539 -5.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.956 10.793 -5.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.159 10.715 -4.297 1.00 0.00 H new ATOM 376 N ARG A 51 -3.007 8.853 -0.716 1.00 0.00 N ATOM 377 CA ARG A 51 -4.071 9.710 -0.206 1.00 0.00 C ATOM 378 C ARG A 51 -4.806 9.035 0.948 1.00 0.00 C ATOM 379 O ARG A 51 -5.139 9.677 1.944 1.00 0.00 O ATOM 380 CB ARG A 51 -5.032 10.146 -1.304 1.00 0.00 C ATOM 381 CG ARG A 51 -6.103 11.129 -0.861 1.00 0.00 C ATOM 382 CD ARG A 51 -6.966 11.631 -1.960 1.00 0.00 C ATOM 383 NE ARG A 51 -7.998 12.565 -1.538 1.00 0.00 N ATOM 384 CZ ARG A 51 -8.939 13.084 -2.350 1.00 0.00 C ATOM 385 NH1 ARG A 51 -8.961 12.793 -3.633 1.00 0.00 N ATOM 386 NH2 ARG A 51 -9.826 13.913 -1.830 1.00 0.00 N ATOM 0 H ARG A 51 -3.200 8.436 -1.626 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.604 10.617 0.177 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.457 10.597 -2.113 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.518 9.261 -1.714 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.732 10.649 -0.112 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.622 11.978 -0.376 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.337 12.117 -2.706 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.441 10.781 -2.449 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.010 12.847 -0.558 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.259 12.166 -4.026 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.680 13.194 -4.235 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.787 14.145 -0.837 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.550 14.321 -2.421 1.00 0.00 H new ATOM 400 N ALA A 52 -5.054 7.736 0.807 1.00 0.00 N ATOM 401 CA ALA A 52 -5.739 6.973 1.844 1.00 0.00 C ATOM 402 C ALA A 52 -4.804 6.673 3.011 1.00 0.00 C ATOM 403 O ALA A 52 -5.230 6.642 4.166 1.00 0.00 O ATOM 404 CB ALA A 52 -6.296 5.682 1.265 1.00 0.00 C ATOM 0 H ALA A 52 -4.791 7.191 -0.014 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.565 7.576 2.221 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.805 5.121 2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.003 5.916 0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.480 5.082 0.862 1.00 0.00 H new ATOM 410 N MET A 53 -3.531 6.452 2.702 1.00 0.00 N ATOM 411 CA MET A 53 -2.532 6.175 3.730 1.00 0.00 C ATOM 412 C MET A 53 -2.029 7.470 4.358 1.00 0.00 C ATOM 413 O MET A 53 -1.343 7.449 5.380 1.00 0.00 O ATOM 414 CB MET A 53 -1.369 5.384 3.137 1.00 0.00 C ATOM 415 CG MET A 53 -1.711 3.951 2.755 1.00 0.00 C ATOM 416 SD MET A 53 -2.137 2.934 4.182 1.00 0.00 S ATOM 417 CE MET A 53 -2.666 1.424 3.376 1.00 0.00 C ATOM 0 H MET A 53 -3.166 6.459 1.750 1.00 0.00 H new ATOM 0 HA MET A 53 -3.000 5.577 4.512 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.005 5.906 2.252 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.551 5.369 3.857 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.546 3.955 2.055 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.862 3.505 2.236 1.00 0.00 H new ATOM 0 HE1 MET A 53 -2.860 0.659 4.128 1.00 0.00 H new ATOM 0 HE2 MET A 53 -3.577 1.614 2.808 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.883 1.078 2.701 1.00 0.00 H new ATOM 427 N GLY A 54 -2.372 8.596 3.742 1.00 0.00 N ATOM 428 CA GLY A 54 -2.028 9.887 4.308 1.00 0.00 C ATOM 429 C GLY A 54 -0.534 10.135 4.322 1.00 0.00 C ATOM 430 O GLY A 54 0.005 10.674 5.289 1.00 0.00 O ATOM 0 H GLY A 54 -2.883 8.638 2.860 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.518 10.674 3.734 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.413 9.948 5.326 1.00 0.00 H new ATOM 434 N ILE A 55 0.140 9.740 3.246 1.00 0.00 N ATOM 435 CA ILE A 55 1.597 9.752 3.210 1.00 0.00 C ATOM 436 C ILE A 55 2.141 11.159 3.444 1.00 0.00 C ATOM 437 O ILE A 55 1.664 12.127 2.851 1.00 0.00 O ATOM 438 CB ILE A 55 2.133 9.220 1.868 1.00 0.00 C ATOM 439 CG1 ILE A 55 1.712 7.762 1.667 1.00 0.00 C ATOM 440 CG2 ILE A 55 3.646 9.354 1.809 1.00 0.00 C ATOM 441 CD1 ILE A 55 2.308 6.808 2.677 1.00 0.00 C ATOM 0 H ILE A 55 -0.300 9.408 2.388 1.00 0.00 H new ATOM 0 HA ILE A 55 1.938 9.096 4.011 1.00 0.00 H new ATOM 0 HB ILE A 55 1.705 9.816 1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.625 7.697 1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.003 7.445 0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.008 8.973 0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.923 10.404 1.910 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.094 8.781 2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.963 5.795 2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.396 6.842 2.612 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.996 7.098 3.680 1.00 0.00 H new ATOM 453 N THR A 56 3.142 11.262 4.312 1.00 0.00 N ATOM 454 CA THR A 56 3.791 12.540 4.580 1.00 0.00 C ATOM 455 C THR A 56 5.282 12.476 4.268 1.00 0.00 C ATOM 456 O THR A 56 5.896 11.408 4.275 1.00 0.00 O ATOM 457 CB THR A 56 3.601 12.974 6.044 1.00 0.00 C ATOM 458 OG1 THR A 56 4.205 12.007 6.915 1.00 0.00 O ATOM 459 CG2 THR A 56 2.122 13.095 6.378 1.00 0.00 C ATOM 0 H THR A 56 3.521 10.477 4.841 1.00 0.00 H new ATOM 0 HA THR A 56 3.318 13.275 3.929 1.00 0.00 H new ATOM 0 HB THR A 56 4.075 13.946 6.182 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.085 12.286 7.847 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.008 13.403 7.417 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.662 13.838 5.727 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.635 12.131 6.229 1.00 0.00 H new ATOM 467 N PRO A 57 5.880 13.643 3.988 1.00 0.00 N ATOM 468 CA PRO A 57 7.310 13.746 3.683 1.00 0.00 C ATOM 469 C PRO A 57 8.185 13.377 4.876 1.00 0.00 C ATOM 470 O PRO A 57 9.379 13.114 4.725 1.00 0.00 O ATOM 471 CB PRO A 57 7.494 15.211 3.275 1.00 0.00 C ATOM 472 CG PRO A 57 6.372 15.928 3.943 1.00 0.00 C ATOM 473 CD PRO A 57 5.208 14.974 3.901 1.00 0.00 C ATOM 0 HA PRO A 57 7.614 13.050 2.901 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.461 15.595 3.601 1.00 0.00 H new ATOM 0 HB3 PRO A 57 7.452 15.330 2.192 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.629 16.190 4.969 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.137 16.858 3.426 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.520 15.136 4.730 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.630 15.078 2.982 1.00 0.00 H new ATOM 481 N HIS A 58 7.584 13.354 6.062 1.00 0.00 N ATOM 482 CA HIS A 58 8.304 12.992 7.278 1.00 0.00 C ATOM 483 C HIS A 58 8.634 11.503 7.290 1.00 0.00 C ATOM 484 O HIS A 58 9.773 11.111 7.539 1.00 0.00 O ATOM 485 CB HIS A 58 7.491 13.361 8.522 1.00 0.00 C ATOM 486 CG HIS A 58 7.380 14.836 8.752 1.00 0.00 C ATOM 487 ND1 HIS A 58 8.466 15.625 9.067 1.00 0.00 N ATOM 488 CD2 HIS A 58 6.311 15.667 8.713 1.00 0.00 C ATOM 489 CE1 HIS A 58 8.070 16.878 9.211 1.00 0.00 C ATOM 490 NE2 HIS A 58 6.768 16.929 9.002 1.00 0.00 N ATOM 0 H HIS A 58 6.600 13.582 6.207 1.00 0.00 H new ATOM 0 HA HIS A 58 9.237 13.555 7.293 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.490 12.940 8.429 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.951 12.899 9.396 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.290 15.389 8.495 1.00 0.00 H new ATOM 0 HE1 HIS A 58 8.704 17.717 9.458 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.194 17.771 9.048 1.00 0.00 H new ATOM 498 N ASN A 59 7.628 10.678 7.020 1.00 0.00 N ATOM 499 CA ASN A 59 7.811 9.231 6.998 1.00 0.00 C ATOM 500 C ASN A 59 7.700 8.688 5.576 1.00 0.00 C ATOM 501 O ASN A 59 7.378 7.518 5.371 1.00 0.00 O ATOM 502 CB ASN A 59 6.817 8.532 7.908 1.00 0.00 C ATOM 503 CG ASN A 59 6.987 8.870 9.363 1.00 0.00 C ATOM 504 OD1 ASN A 59 7.995 8.524 9.988 1.00 0.00 O ATOM 505 ND2 ASN A 59 5.970 9.472 9.924 1.00 0.00 N ATOM 0 H ASN A 59 6.678 10.986 6.813 1.00 0.00 H new ATOM 0 HA ASN A 59 8.814 9.024 7.371 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.806 8.797 7.598 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.917 7.454 7.781 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.986 9.676 10.923 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.161 9.737 9.362 1.00 0.00 H new ATOM 512 N TYR A 60 7.969 9.546 4.600 1.00 0.00 N ATOM 513 CA TYR A 60 7.907 9.153 3.197 1.00 0.00 C ATOM 514 C TYR A 60 8.958 8.092 2.882 1.00 0.00 C ATOM 515 O TYR A 60 8.649 7.049 2.307 1.00 0.00 O ATOM 516 CB TYR A 60 8.098 10.371 2.290 1.00 0.00 C ATOM 517 CG TYR A 60 8.091 10.042 0.814 1.00 0.00 C ATOM 518 CD1 TYR A 60 6.898 9.865 0.127 1.00 0.00 C ATOM 519 CD2 TYR A 60 9.277 9.911 0.109 1.00 0.00 C ATOM 520 CE1 TYR A 60 6.885 9.565 -1.220 1.00 0.00 C ATOM 521 CE2 TYR A 60 9.278 9.611 -1.240 1.00 0.00 C ATOM 522 CZ TYR A 60 8.079 9.438 -1.901 1.00 0.00 C ATOM 523 OH TYR A 60 8.074 9.140 -3.245 1.00 0.00 O ATOM 0 H TYR A 60 8.232 10.519 4.754 1.00 0.00 H new ATOM 0 HA TYR A 60 6.921 8.727 3.009 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.307 11.092 2.495 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.043 10.854 2.540 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.962 9.964 0.657 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.217 10.046 0.623 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.947 9.430 -1.738 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.212 9.513 -1.774 1.00 0.00 H new ATOM 0 HH TYR A 60 8.996 9.087 -3.572 1.00 0.00 H new ATOM 533 N TRP A 61 10.199 8.368 3.265 1.00 0.00 N ATOM 534 CA TRP A 61 11.290 7.421 3.062 1.00 0.00 C ATOM 535 C TRP A 61 10.969 6.077 3.707 1.00 0.00 C ATOM 536 O TRP A 61 11.369 5.028 3.204 1.00 0.00 O ATOM 537 CB TRP A 61 12.596 7.978 3.629 1.00 0.00 C ATOM 538 CG TRP A 61 12.597 8.097 5.124 1.00 0.00 C ATOM 539 CD1 TRP A 61 12.176 9.166 5.857 1.00 0.00 C ATOM 540 CD2 TRP A 61 13.040 7.113 6.067 1.00 0.00 C ATOM 541 NE1 TRP A 61 12.328 8.911 7.197 1.00 0.00 N ATOM 542 CE2 TRP A 61 12.857 7.655 7.351 1.00 0.00 C ATOM 543 CE3 TRP A 61 13.574 5.825 5.945 1.00 0.00 C ATOM 544 CZ2 TRP A 61 13.188 6.960 8.503 1.00 0.00 C ATOM 545 CZ3 TRP A 61 13.905 5.128 7.102 1.00 0.00 C ATOM 546 CH2 TRP A 61 13.716 5.679 8.345 1.00 0.00 C ATOM 0 H TRP A 61 10.475 9.239 3.718 1.00 0.00 H new ATOM 0 HA TRP A 61 11.410 7.269 1.989 1.00 0.00 H new ATOM 0 HB2 TRP A 61 13.420 7.333 3.323 1.00 0.00 H new ATOM 0 HB3 TRP A 61 12.782 8.960 3.194 1.00 0.00 H new ATOM 0 HD1 TRP A 61 11.780 10.082 5.443 1.00 0.00 H new ATOM 0 HE1 TRP A 61 12.087 9.551 7.954 1.00 0.00 H new ATOM 0 HE3 TRP A 61 13.726 5.381 4.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.043 7.392 9.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 14.319 4.134 7.021 1.00 0.00 H new ATOM 0 HH2 TRP A 61 13.983 5.107 9.221 1.00 0.00 H new ATOM 557 N GLN A 62 10.248 6.117 4.822 1.00 0.00 N ATOM 558 CA GLN A 62 9.860 4.900 5.524 1.00 0.00 C ATOM 559 C GLN A 62 8.840 4.106 4.717 1.00 0.00 C ATOM 560 O GLN A 62 9.001 2.903 4.508 1.00 0.00 O ATOM 561 CB GLN A 62 9.281 5.234 6.903 1.00 0.00 C ATOM 562 CG GLN A 62 8.865 4.020 7.714 1.00 0.00 C ATOM 563 CD GLN A 62 10.039 3.131 8.073 1.00 0.00 C ATOM 564 OE1 GLN A 62 11.087 3.611 8.514 1.00 0.00 O ATOM 565 NE2 GLN A 62 9.875 1.827 7.880 1.00 0.00 N ATOM 0 H GLN A 62 9.921 6.979 5.259 1.00 0.00 H new ATOM 0 HA GLN A 62 10.755 4.291 5.652 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.022 5.798 7.469 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.416 5.884 6.774 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.370 4.350 8.628 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.135 3.441 7.148 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.992 1.473 7.513 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.633 1.180 8.099 1.00 0.00 H new ATOM 574 N TRP A 63 7.791 4.785 4.265 1.00 0.00 N ATOM 575 CA TRP A 63 6.764 4.150 3.447 1.00 0.00 C ATOM 576 C TRP A 63 7.333 3.710 2.102 1.00 0.00 C ATOM 577 O TRP A 63 6.972 2.655 1.581 1.00 0.00 O ATOM 578 CB TRP A 63 5.586 5.102 3.235 1.00 0.00 C ATOM 579 CG TRP A 63 4.492 4.936 4.248 1.00 0.00 C ATOM 580 CD1 TRP A 63 4.352 5.625 5.414 1.00 0.00 C ATOM 581 CD2 TRP A 63 3.388 4.026 4.182 1.00 0.00 C ATOM 582 NE1 TRP A 63 3.230 5.200 6.083 1.00 0.00 N ATOM 583 CE2 TRP A 63 2.619 4.218 5.343 1.00 0.00 C ATOM 584 CE3 TRP A 63 2.975 3.065 3.251 1.00 0.00 C ATOM 585 CZ2 TRP A 63 1.469 3.490 5.602 1.00 0.00 C ATOM 586 CZ3 TRP A 63 1.820 2.336 3.509 1.00 0.00 C ATOM 587 CH2 TRP A 63 1.088 2.544 4.651 1.00 0.00 C ATOM 0 H TRP A 63 7.630 5.775 4.451 1.00 0.00 H new ATOM 0 HA TRP A 63 6.411 3.265 3.976 1.00 0.00 H new ATOM 0 HB2 TRP A 63 5.949 6.129 3.269 1.00 0.00 H new ATOM 0 HB3 TRP A 63 5.175 4.942 2.238 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.025 6.394 5.762 1.00 0.00 H new ATOM 0 HE1 TRP A 63 2.904 5.556 6.982 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.544 2.893 2.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 0.893 3.648 6.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 1.493 1.592 2.798 1.00 0.00 H new ATOM 0 HH2 TRP A 63 0.195 1.960 4.817 1.00 0.00 H new ATOM 598 N ALA A 64 8.223 4.527 1.547 1.00 0.00 N ATOM 599 CA ALA A 64 8.811 4.241 0.244 1.00 0.00 C ATOM 600 C ALA A 64 9.621 2.950 0.280 1.00 0.00 C ATOM 601 O ALA A 64 9.750 2.258 -0.729 1.00 0.00 O ATOM 602 CB ALA A 64 9.685 5.402 -0.206 1.00 0.00 C ATOM 0 H ALA A 64 8.552 5.391 1.979 1.00 0.00 H new ATOM 0 HA ALA A 64 8.000 4.111 -0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.118 5.175 -1.180 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.080 6.306 -0.279 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.484 5.558 0.519 1.00 0.00 H new ATOM 608 N SER A 65 10.168 2.630 1.450 1.00 0.00 N ATOM 609 CA SER A 65 10.991 1.437 1.610 1.00 0.00 C ATOM 610 C SER A 65 10.122 0.188 1.701 1.00 0.00 C ATOM 611 O SER A 65 10.357 -0.796 0.998 1.00 0.00 O ATOM 612 CB SER A 65 11.866 1.567 2.842 1.00 0.00 C ATOM 613 OG SER A 65 12.670 0.436 3.037 1.00 0.00 O ATOM 0 H SER A 65 10.055 3.181 2.301 1.00 0.00 H new ATOM 0 HA SER A 65 11.632 1.340 0.734 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.499 2.449 2.746 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.237 1.720 3.719 1.00 0.00 H new ATOM 0 HG SER A 65 13.219 0.560 3.839 1.00 0.00 H new ATOM 619 N ARG A 66 9.118 0.233 2.569 1.00 0.00 N ATOM 620 CA ARG A 66 8.358 -0.960 2.923 1.00 0.00 C ATOM 621 C ARG A 66 7.460 -1.395 1.768 1.00 0.00 C ATOM 622 O ARG A 66 7.079 -2.562 1.667 1.00 0.00 O ATOM 623 CB ARG A 66 7.513 -0.700 4.170 1.00 0.00 C ATOM 624 CG ARG A 66 6.363 0.265 3.938 1.00 0.00 C ATOM 625 CD ARG A 66 5.422 0.312 5.131 1.00 0.00 C ATOM 626 NE ARG A 66 5.991 1.063 6.247 1.00 0.00 N ATOM 627 CZ ARG A 66 5.370 1.240 7.407 1.00 0.00 C ATOM 628 NH1 ARG A 66 4.166 0.720 7.605 1.00 0.00 N ATOM 629 NH2 ARG A 66 5.952 1.936 8.375 1.00 0.00 N ATOM 0 H ARG A 66 8.811 1.084 3.041 1.00 0.00 H new ATOM 0 HA ARG A 66 9.065 -1.762 3.133 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.113 -1.648 4.531 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.155 -0.304 4.957 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.758 1.263 3.746 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.809 -0.035 3.049 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.478 0.768 4.831 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.196 -0.704 5.455 1.00 0.00 H new ATOM 0 HE ARG A 66 6.917 1.474 6.129 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.715 0.182 6.865 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.691 0.858 8.497 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.879 2.337 8.229 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.473 2.071 9.265 1.00 0.00 H new ATOM 643 N THR A 67 7.126 -0.449 0.896 1.00 0.00 N ATOM 644 CA THR A 67 6.258 -0.730 -0.240 1.00 0.00 C ATOM 645 C THR A 67 7.073 -1.058 -1.487 1.00 0.00 C ATOM 646 O THR A 67 6.524 -1.218 -2.575 1.00 0.00 O ATOM 647 CB THR A 67 5.326 0.458 -0.546 1.00 0.00 C ATOM 648 OG1 THR A 67 6.110 1.607 -0.891 1.00 0.00 O ATOM 649 CG2 THR A 67 4.464 0.784 0.663 1.00 0.00 C ATOM 0 H THR A 67 7.444 0.518 0.955 1.00 0.00 H new ATOM 0 HA THR A 67 5.652 -1.594 0.033 1.00 0.00 H new ATOM 0 HB THR A 67 4.678 0.187 -1.380 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.447 2.030 -0.074 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.812 1.626 0.429 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.857 -0.084 0.922 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.104 1.044 1.506 1.00 0.00 H new ATOM 657 N ASN A 68 8.388 -1.159 -1.318 1.00 0.00 N ATOM 658 CA ASN A 68 9.282 -1.434 -2.437 1.00 0.00 C ATOM 659 C ASN A 68 9.117 -0.386 -3.534 1.00 0.00 C ATOM 660 O ASN A 68 8.836 -0.719 -4.684 1.00 0.00 O ATOM 661 CB ASN A 68 9.062 -2.825 -2.999 1.00 0.00 C ATOM 662 CG ASN A 68 10.167 -3.297 -3.901 1.00 0.00 C ATOM 663 OD1 ASN A 68 11.284 -2.767 -3.877 1.00 0.00 O ATOM 664 ND2 ASN A 68 9.839 -4.234 -4.754 1.00 0.00 N ATOM 0 H ASN A 68 8.857 -1.055 -0.418 1.00 0.00 H new ATOM 0 HA ASN A 68 10.303 -1.384 -2.057 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.955 -3.528 -2.173 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.123 -2.839 -3.553 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.519 -4.559 -5.441 1.00 0.00 H new ATOM 0 HD22 ASN A 68 8.903 -4.639 -4.732 1.00 0.00 H new ATOM 671 N ASN A 69 9.294 0.879 -3.171 1.00 0.00 N ATOM 672 CA ASN A 69 9.086 1.980 -4.104 1.00 0.00 C ATOM 673 C ASN A 69 7.620 2.080 -4.509 1.00 0.00 C ATOM 674 O ASN A 69 7.301 2.415 -5.650 1.00 0.00 O ATOM 675 CB ASN A 69 9.965 1.839 -5.334 1.00 0.00 C ATOM 676 CG ASN A 69 10.222 3.138 -6.046 1.00 0.00 C ATOM 677 OD1 ASN A 69 10.225 4.214 -5.436 1.00 0.00 O ATOM 678 ND2 ASN A 69 10.357 3.053 -7.345 1.00 0.00 N ATOM 0 H ASN A 69 9.581 1.168 -2.236 1.00 0.00 H new ATOM 0 HA ASN A 69 9.368 2.900 -3.592 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.919 1.401 -5.040 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.495 1.142 -6.027 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.472 3.900 -7.902 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.348 2.140 -7.800 1.00 0.00 H new ATOM 685 N PHE A 70 6.730 1.790 -3.566 1.00 0.00 N ATOM 686 CA PHE A 70 5.295 1.862 -3.818 1.00 0.00 C ATOM 687 C PHE A 70 4.919 1.038 -5.046 1.00 0.00 C ATOM 688 O PHE A 70 4.129 1.475 -5.884 1.00 0.00 O ATOM 689 CB PHE A 70 4.856 3.315 -4.002 1.00 0.00 C ATOM 690 CG PHE A 70 5.091 4.176 -2.793 1.00 0.00 C ATOM 691 CD1 PHE A 70 4.228 4.125 -1.708 1.00 0.00 C ATOM 692 CD2 PHE A 70 6.176 5.037 -2.738 1.00 0.00 C ATOM 693 CE1 PHE A 70 4.443 4.916 -0.596 1.00 0.00 C ATOM 694 CE2 PHE A 70 6.393 5.830 -1.627 1.00 0.00 C ATOM 695 CZ PHE A 70 5.527 5.770 -0.556 1.00 0.00 C ATOM 0 H PHE A 70 6.977 1.503 -2.619 1.00 0.00 H new ATOM 0 HA PHE A 70 4.777 1.447 -2.953 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.391 3.742 -4.850 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.795 3.336 -4.251 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.378 3.459 -1.733 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.859 5.089 -3.573 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.763 4.866 0.242 1.00 0.00 H new ATOM 0 HE2 PHE A 70 7.242 6.497 -1.598 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.696 6.390 0.312 1.00 0.00 H new ATOM 705 N LYS A 71 5.491 -0.157 -5.148 1.00 0.00 N ATOM 706 CA LYS A 71 5.120 -1.098 -6.200 1.00 0.00 C ATOM 707 C LYS A 71 4.001 -2.023 -5.730 1.00 0.00 C ATOM 708 O LYS A 71 4.257 -3.074 -5.141 1.00 0.00 O ATOM 709 CB LYS A 71 6.333 -1.917 -6.640 1.00 0.00 C ATOM 710 CG LYS A 71 7.384 -1.124 -7.407 1.00 0.00 C ATOM 711 CD LYS A 71 6.860 -0.683 -8.766 1.00 0.00 C ATOM 712 CE LYS A 71 6.535 -1.879 -9.649 1.00 0.00 C ATOM 713 NZ LYS A 71 7.762 -2.600 -10.083 1.00 0.00 N ATOM 0 H LYS A 71 6.214 -0.498 -4.514 1.00 0.00 H new ATOM 0 HA LYS A 71 4.758 -0.525 -7.054 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.799 -2.356 -5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.991 -2.743 -7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.678 -0.249 -6.827 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.278 -1.734 -7.540 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.966 -0.073 -8.633 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.603 -0.056 -9.259 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.884 -2.565 -9.106 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.982 -1.543 -10.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.507 -3.333 -10.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.424 -1.927 -10.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.213 -3.045 -9.258 1.00 0.00 H new ATOM 727 N LEU A 72 2.761 -1.627 -5.997 1.00 0.00 N ATOM 728 CA LEU A 72 1.601 -2.367 -5.514 1.00 0.00 C ATOM 729 C LEU A 72 0.818 -2.972 -6.675 1.00 0.00 C ATOM 730 O LEU A 72 0.649 -2.342 -7.721 1.00 0.00 O ATOM 731 CB LEU A 72 0.698 -1.450 -4.680 1.00 0.00 C ATOM 732 CG LEU A 72 1.397 -0.716 -3.529 1.00 0.00 C ATOM 733 CD1 LEU A 72 0.468 0.336 -2.939 1.00 0.00 C ATOM 734 CD2 LEU A 72 1.821 -1.719 -2.467 1.00 0.00 C ATOM 0 H LEU A 72 2.534 -0.798 -6.545 1.00 0.00 H new ATOM 0 HA LEU A 72 1.954 -3.183 -4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.249 -0.710 -5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.117 -2.046 -4.268 1.00 0.00 H new ATOM 0 HG LEU A 72 2.286 -0.211 -3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.974 0.851 -2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.198 1.057 -3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.434 -0.146 -2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.318 -1.196 -1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.942 -2.238 -2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.508 -2.444 -2.904 1.00 0.00 H new ATOM 746 N LEU A 73 0.339 -4.196 -6.484 1.00 0.00 N ATOM 747 CA LEU A 73 -0.532 -4.838 -7.463 1.00 0.00 C ATOM 748 C LEU A 73 -1.858 -5.244 -6.826 1.00 0.00 C ATOM 749 O LEU A 73 -1.919 -5.555 -5.636 1.00 0.00 O ATOM 750 CB LEU A 73 0.166 -6.058 -8.075 1.00 0.00 C ATOM 751 CG LEU A 73 1.479 -5.761 -8.808 1.00 0.00 C ATOM 752 CD1 LEU A 73 2.202 -7.061 -9.135 1.00 0.00 C ATOM 753 CD2 LEU A 73 1.186 -4.974 -10.077 1.00 0.00 C ATOM 0 H LEU A 73 0.539 -4.764 -5.661 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.743 -4.122 -8.257 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.367 -6.778 -7.281 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.521 -6.537 -8.773 1.00 0.00 H new ATOM 0 HG LEU A 73 2.126 -5.164 -8.165 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.133 -6.838 -9.656 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.422 -7.597 -8.212 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.569 -7.679 -9.772 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.120 -4.763 -10.598 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.533 -5.559 -10.725 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.695 -4.036 -9.818 1.00 0.00 H new ATOM 765 N THR A 74 -2.920 -5.239 -7.628 1.00 0.00 N ATOM 766 CA THR A 74 -4.249 -5.574 -7.137 1.00 0.00 C ATOM 767 C THR A 74 -5.224 -5.784 -8.291 1.00 0.00 C ATOM 768 O THR A 74 -5.056 -5.216 -9.370 1.00 0.00 O ATOM 769 CB THR A 74 -4.800 -4.480 -6.203 1.00 0.00 C ATOM 770 OG1 THR A 74 -6.058 -4.899 -5.660 1.00 0.00 O ATOM 771 CG2 THR A 74 -4.989 -3.176 -6.965 1.00 0.00 C ATOM 0 H THR A 74 -2.883 -5.006 -8.620 1.00 0.00 H new ATOM 0 HA THR A 74 -4.152 -6.502 -6.573 1.00 0.00 H new ATOM 0 HB THR A 74 -4.086 -4.318 -5.396 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.904 -5.438 -4.856 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.379 -2.414 -6.291 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.031 -2.848 -7.368 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.693 -3.331 -7.783 1.00 0.00 H new ATOM 779 N ASP A 75 -6.245 -6.602 -8.055 1.00 0.00 N ATOM 780 CA ASP A 75 -7.316 -6.786 -9.025 1.00 0.00 C ATOM 781 C ASP A 75 -8.608 -7.212 -8.335 1.00 0.00 C ATOM 782 O ASP A 75 -8.845 -8.400 -8.117 1.00 0.00 O ATOM 783 CB ASP A 75 -6.914 -7.821 -10.080 1.00 0.00 C ATOM 784 CG ASP A 75 -7.919 -7.988 -11.213 1.00 0.00 C ATOM 785 OD1 ASP A 75 -8.983 -7.424 -11.124 1.00 0.00 O ATOM 786 OD2 ASP A 75 -7.558 -8.546 -12.221 1.00 0.00 O ATOM 0 H ASP A 75 -6.352 -7.148 -7.200 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.490 -5.831 -9.520 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.951 -7.535 -10.504 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.773 -8.785 -9.591 1.00 0.00 H new ATOM 791 N GLY A 76 -9.440 -6.234 -7.993 1.00 0.00 N ATOM 792 CA GLY A 76 -10.691 -6.526 -7.316 1.00 0.00 C ATOM 793 C GLY A 76 -10.484 -7.263 -6.009 1.00 0.00 C ATOM 794 O GLY A 76 -11.371 -7.977 -5.544 1.00 0.00 O ATOM 0 H GLY A 76 -9.271 -5.244 -8.172 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.223 -5.594 -7.124 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.324 -7.125 -7.971 1.00 0.00 H new ATOM 798 N GLU A 77 -9.307 -7.092 -5.414 1.00 0.00 N ATOM 799 CA GLU A 77 -8.958 -7.808 -4.192 1.00 0.00 C ATOM 800 C GLU A 77 -7.897 -7.048 -3.401 1.00 0.00 C ATOM 801 O GLU A 77 -7.561 -5.909 -3.727 1.00 0.00 O ATOM 802 CB GLU A 77 -8.465 -9.219 -4.519 1.00 0.00 C ATOM 803 CG GLU A 77 -7.265 -9.265 -5.454 1.00 0.00 C ATOM 804 CD GLU A 77 -6.893 -10.681 -5.795 1.00 0.00 C ATOM 805 OE1 GLU A 77 -7.637 -11.318 -6.500 1.00 0.00 O ATOM 806 OE2 GLU A 77 -5.811 -11.090 -5.445 1.00 0.00 O ATOM 0 H GLU A 77 -8.580 -6.465 -5.758 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.855 -7.885 -3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.205 -9.724 -3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.283 -9.781 -4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.492 -8.716 -6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.417 -8.767 -4.985 1.00 0.00 H new ATOM 813 N TRP A 78 -7.373 -7.685 -2.361 1.00 0.00 N ATOM 814 CA TRP A 78 -6.340 -7.076 -1.532 1.00 0.00 C ATOM 815 C TRP A 78 -5.266 -6.421 -2.394 1.00 0.00 C ATOM 816 O TRP A 78 -5.026 -6.839 -3.528 1.00 0.00 O ATOM 817 CB TRP A 78 -5.708 -8.125 -0.615 1.00 0.00 C ATOM 818 CG TRP A 78 -4.945 -9.181 -1.359 1.00 0.00 C ATOM 819 CD1 TRP A 78 -5.308 -9.783 -2.529 1.00 0.00 C ATOM 820 CD2 TRP A 78 -3.690 -9.758 -0.979 1.00 0.00 C ATOM 821 NE1 TRP A 78 -4.355 -10.701 -2.900 1.00 0.00 N ATOM 822 CE2 TRP A 78 -3.352 -10.703 -1.969 1.00 0.00 C ATOM 823 CE3 TRP A 78 -2.820 -9.566 0.094 1.00 0.00 C ATOM 824 CZ2 TRP A 78 -2.181 -11.454 -1.910 1.00 0.00 C ATOM 825 CZ3 TRP A 78 -1.657 -10.312 0.152 1.00 0.00 C ATOM 826 CH2 TRP A 78 -1.346 -11.246 -0.845 1.00 0.00 C ATOM 0 H TRP A 78 -7.647 -8.624 -2.071 1.00 0.00 H new ATOM 0 HA TRP A 78 -6.808 -6.305 -0.920 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.037 -7.628 0.086 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.491 -8.600 -0.024 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -6.211 -9.569 -3.082 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -4.390 -11.286 -3.735 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -3.051 -8.847 0.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -1.940 -12.175 -2.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.977 -10.172 0.980 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -0.430 -11.813 -0.772 1.00 0.00 H new ATOM 837 N VAL A 79 -4.620 -5.395 -1.849 1.00 0.00 N ATOM 838 CA VAL A 79 -3.404 -4.854 -2.444 1.00 0.00 C ATOM 839 C VAL A 79 -2.162 -5.421 -1.768 1.00 0.00 C ATOM 840 O VAL A 79 -2.073 -5.457 -0.541 1.00 0.00 O ATOM 841 CB VAL A 79 -3.368 -3.317 -2.360 1.00 0.00 C ATOM 842 CG1 VAL A 79 -2.102 -2.777 -3.006 1.00 0.00 C ATOM 843 CG2 VAL A 79 -4.599 -2.718 -3.022 1.00 0.00 C ATOM 0 H VAL A 79 -4.919 -4.922 -0.996 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.409 -5.149 -3.493 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.368 -3.031 -1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.094 -1.689 -2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.230 -3.180 -2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.073 -3.074 -4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.557 -1.631 -2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.629 -3.014 -4.071 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.495 -3.079 -2.517 1.00 0.00 H new ATOM 853 N TRP A 80 -1.204 -5.862 -2.575 1.00 0.00 N ATOM 854 CA TRP A 80 0.041 -6.415 -2.053 1.00 0.00 C ATOM 855 C TRP A 80 1.248 -5.775 -2.733 1.00 0.00 C ATOM 856 O TRP A 80 1.145 -5.260 -3.845 1.00 0.00 O ATOM 857 CB TRP A 80 0.073 -7.930 -2.252 1.00 0.00 C ATOM 858 CG TRP A 80 0.156 -8.339 -3.693 1.00 0.00 C ATOM 859 CD1 TRP A 80 1.292 -8.607 -4.403 1.00 0.00 C ATOM 860 CD2 TRP A 80 -0.938 -8.525 -4.595 1.00 0.00 C ATOM 861 NE1 TRP A 80 0.969 -8.946 -5.694 1.00 0.00 N ATOM 862 CE2 TRP A 80 -0.393 -8.905 -5.839 1.00 0.00 C ATOM 863 CE3 TRP A 80 -2.325 -8.408 -4.477 1.00 0.00 C ATOM 864 CZ2 TRP A 80 -1.188 -9.168 -6.951 1.00 0.00 C ATOM 865 CZ3 TRP A 80 -3.113 -8.669 -5.582 1.00 0.00 C ATOM 866 CH2 TRP A 80 -2.543 -9.046 -6.805 1.00 0.00 C ATOM 0 H TRP A 80 -1.265 -5.848 -3.593 1.00 0.00 H new ATOM 0 HA TRP A 80 0.088 -6.195 -0.987 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.928 -8.342 -1.715 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -0.822 -8.366 -1.809 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.296 -8.559 -4.007 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.636 -9.189 -6.427 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -2.774 -8.119 -3.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.751 -9.458 -7.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -4.186 -8.581 -5.501 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -3.186 -9.244 -7.650 1.00 0.00 H new ATOM 877 N VAL A 81 2.390 -5.814 -2.056 1.00 0.00 N ATOM 878 CA VAL A 81 3.618 -5.240 -2.595 1.00 0.00 C ATOM 879 C VAL A 81 4.351 -6.243 -3.478 1.00 0.00 C ATOM 880 O VAL A 81 4.690 -7.342 -3.038 1.00 0.00 O ATOM 881 CB VAL A 81 4.562 -4.771 -1.474 1.00 0.00 C ATOM 882 CG1 VAL A 81 5.837 -4.183 -2.062 1.00 0.00 C ATOM 883 CG2 VAL A 81 3.870 -3.754 -0.582 1.00 0.00 C ATOM 0 H VAL A 81 2.491 -6.237 -1.133 1.00 0.00 H new ATOM 0 HA VAL A 81 3.326 -4.377 -3.194 1.00 0.00 H new ATOM 0 HB VAL A 81 4.828 -5.636 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.493 -3.856 -1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.345 -4.940 -2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.587 -3.331 -2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.554 -3.435 0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.573 -2.891 -1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.986 -4.206 -0.132 1.00 0.00 H new ATOM 893 N GLU A 82 4.591 -5.858 -4.729 1.00 0.00 N ATOM 894 CA GLU A 82 5.321 -6.708 -5.662 1.00 0.00 C ATOM 895 C GLU A 82 6.726 -7.001 -5.145 1.00 0.00 C ATOM 896 O GLU A 82 7.507 -6.086 -4.885 1.00 0.00 O ATOM 897 CB GLU A 82 5.391 -6.051 -7.042 1.00 0.00 C ATOM 898 CG GLU A 82 6.041 -6.911 -8.116 1.00 0.00 C ATOM 899 CD GLU A 82 6.026 -6.222 -9.452 1.00 0.00 C ATOM 900 OE1 GLU A 82 5.472 -5.154 -9.542 1.00 0.00 O ATOM 901 OE2 GLU A 82 6.665 -6.709 -10.356 1.00 0.00 O ATOM 0 H GLU A 82 4.291 -4.964 -5.118 1.00 0.00 H new ATOM 0 HA GLU A 82 4.784 -7.653 -5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.380 -5.795 -7.361 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.945 -5.116 -6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.069 -7.136 -7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.515 -7.863 -8.190 1.00 0.00 H new ATOM 908 N GLY A 83 7.041 -8.284 -4.999 1.00 0.00 N ATOM 909 CA GLY A 83 8.380 -8.679 -4.601 1.00 0.00 C ATOM 910 C GLY A 83 8.443 -9.140 -3.158 1.00 0.00 C ATOM 911 O GLY A 83 9.415 -9.773 -2.744 1.00 0.00 O ATOM 0 H GLY A 83 6.393 -9.057 -5.149 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.727 -9.482 -5.251 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.060 -7.839 -4.741 1.00 0.00 H new ATOM 915 N TYR A 84 7.407 -8.821 -2.390 1.00 0.00 N ATOM 916 CA TYR A 84 7.356 -9.196 -0.981 1.00 0.00 C ATOM 917 C TYR A 84 6.250 -10.215 -0.729 1.00 0.00 C ATOM 918 O TYR A 84 5.803 -10.395 0.403 1.00 0.00 O ATOM 919 CB TYR A 84 7.143 -7.959 -0.106 1.00 0.00 C ATOM 920 CG TYR A 84 8.399 -7.148 0.125 1.00 0.00 C ATOM 921 CD1 TYR A 84 9.422 -7.634 0.924 1.00 0.00 C ATOM 922 CD2 TYR A 84 8.554 -5.897 -0.454 1.00 0.00 C ATOM 923 CE1 TYR A 84 10.571 -6.897 1.139 1.00 0.00 C ATOM 924 CE2 TYR A 84 9.699 -5.152 -0.247 1.00 0.00 C ATOM 925 CZ TYR A 84 10.706 -5.655 0.551 1.00 0.00 C ATOM 926 OH TYR A 84 11.846 -4.917 0.762 1.00 0.00 O ATOM 0 H TYR A 84 6.592 -8.304 -2.719 1.00 0.00 H new ATOM 0 HA TYR A 84 8.310 -9.653 -0.718 1.00 0.00 H new ATOM 0 HB2 TYR A 84 6.391 -7.322 -0.572 1.00 0.00 H new ATOM 0 HB3 TYR A 84 6.742 -8.273 0.858 1.00 0.00 H new ATOM 0 HD1 TYR A 84 9.319 -8.605 1.386 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.767 -5.499 -1.077 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.359 -7.290 1.764 1.00 0.00 H new ATOM 0 HE2 TYR A 84 9.805 -4.181 -0.707 1.00 0.00 H new ATOM 0 HH TYR A 84 11.781 -4.069 0.276 1.00 0.00 H new ATOM 936 N GLU A 85 5.814 -10.881 -1.793 1.00 0.00 N ATOM 937 CA GLU A 85 4.932 -12.036 -1.663 1.00 0.00 C ATOM 938 C GLU A 85 5.578 -13.119 -0.803 1.00 0.00 C ATOM 939 O GLU A 85 4.892 -13.981 -0.257 1.00 0.00 O ATOM 940 CB GLU A 85 4.574 -12.598 -3.039 1.00 0.00 C ATOM 941 CG GLU A 85 3.700 -11.681 -3.886 1.00 0.00 C ATOM 942 CD GLU A 85 4.526 -10.660 -4.615 1.00 0.00 C ATOM 943 OE1 GLU A 85 5.722 -10.655 -4.441 1.00 0.00 O ATOM 944 OE2 GLU A 85 3.979 -9.959 -5.434 1.00 0.00 O ATOM 0 H GLU A 85 6.057 -10.641 -2.754 1.00 0.00 H new ATOM 0 HA GLU A 85 4.016 -11.707 -1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.495 -12.807 -3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.059 -13.550 -2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.135 -12.275 -4.604 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.974 -11.177 -3.249 1.00 0.00 H new ATOM 951 N GLU A 86 6.901 -13.066 -0.691 1.00 0.00 N ATOM 952 CA GLU A 86 7.628 -13.959 0.206 1.00 0.00 C ATOM 953 C GLU A 86 7.320 -13.632 1.663 1.00 0.00 C ATOM 954 O GLU A 86 7.007 -14.520 2.458 1.00 0.00 O ATOM 955 CB GLU A 86 9.133 -13.868 -0.050 1.00 0.00 C ATOM 956 CG GLU A 86 9.975 -14.794 0.817 1.00 0.00 C ATOM 957 CD GLU A 86 11.437 -14.669 0.490 1.00 0.00 C ATOM 958 OE1 GLU A 86 11.769 -13.901 -0.380 1.00 0.00 O ATOM 959 OE2 GLU A 86 12.233 -15.256 1.186 1.00 0.00 O ATOM 0 H GLU A 86 7.492 -12.415 -1.209 1.00 0.00 H new ATOM 0 HA GLU A 86 7.301 -14.979 0.006 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.326 -14.097 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.456 -12.840 0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.814 -14.557 1.869 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.654 -15.825 0.670 1.00 0.00 H new ATOM 966 N HIS A 87 7.409 -12.352 2.009 1.00 0.00 N ATOM 967 CA HIS A 87 7.249 -11.920 3.393 1.00 0.00 C ATOM 968 C HIS A 87 5.775 -11.894 3.786 1.00 0.00 C ATOM 969 O HIS A 87 5.438 -11.922 4.971 1.00 0.00 O ATOM 970 CB HIS A 87 7.873 -10.538 3.607 1.00 0.00 C ATOM 971 CG HIS A 87 9.363 -10.521 3.454 1.00 0.00 C ATOM 972 ND1 HIS A 87 10.116 -9.378 3.625 1.00 0.00 N ATOM 973 CD2 HIS A 87 10.239 -11.507 3.149 1.00 0.00 C ATOM 974 CE1 HIS A 87 11.392 -9.663 3.429 1.00 0.00 C ATOM 975 NE2 HIS A 87 11.492 -10.947 3.139 1.00 0.00 N ATOM 0 H HIS A 87 7.591 -11.595 1.350 1.00 0.00 H new ATOM 0 HA HIS A 87 7.766 -12.638 4.029 1.00 0.00 H new ATOM 0 HB2 HIS A 87 7.435 -9.837 2.896 1.00 0.00 H new ATOM 0 HB3 HIS A 87 7.615 -10.183 4.605 1.00 0.00 H new ATOM 0 HD2 HIS A 87 9.997 -12.541 2.951 1.00 0.00 H new ATOM 0 HE1 HIS A 87 12.213 -8.964 3.495 1.00 0.00 H new ATOM 0 HE2 HIS A 87 12.361 -11.443 2.940 1.00 0.00 H new ATOM 983 N ILE A 88 4.901 -11.840 2.786 1.00 0.00 N ATOM 984 CA ILE A 88 3.464 -11.873 3.025 1.00 0.00 C ATOM 985 C ILE A 88 3.004 -13.268 3.432 1.00 0.00 C ATOM 986 O ILE A 88 3.449 -14.267 2.869 1.00 0.00 O ATOM 987 CB ILE A 88 2.674 -11.422 1.782 1.00 0.00 C ATOM 988 CG1 ILE A 88 2.910 -9.935 1.509 1.00 0.00 C ATOM 989 CG2 ILE A 88 1.192 -11.706 1.962 1.00 0.00 C ATOM 990 CD1 ILE A 88 2.467 -9.488 0.135 1.00 0.00 C ATOM 0 H ILE A 88 5.164 -11.773 1.803 1.00 0.00 H new ATOM 0 HA ILE A 88 3.265 -11.178 3.841 1.00 0.00 H new ATOM 0 HB ILE A 88 3.029 -11.989 0.921 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.380 -9.349 2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.972 -9.718 1.626 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.649 -11.381 1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.042 -12.776 2.108 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.821 -11.165 2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.667 -8.423 0.017 1.00 0.00 H new ATOM 0 HD12 ILE A 88 3.015 -10.046 -0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.399 -9.672 0.019 1.00 0.00 H new ATOM 1002 N GLY A 89 2.110 -13.330 4.412 1.00 0.00 N ATOM 1003 CA GLY A 89 1.675 -14.609 4.943 1.00 0.00 C ATOM 1004 C GLY A 89 2.483 -15.042 6.149 1.00 0.00 C ATOM 1005 O GLY A 89 2.498 -16.219 6.505 1.00 0.00 O ATOM 0 H GLY A 89 1.678 -12.516 4.849 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.622 -14.545 5.219 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.755 -15.368 4.165 1.00 0.00 H new ATOM 1009 N LYS A 90 3.160 -14.087 6.779 1.00 0.00 N ATOM 1010 CA LYS A 90 3.984 -14.375 7.946 1.00 0.00 C ATOM 1011 C LYS A 90 3.415 -13.706 9.193 1.00 0.00 C ATOM 1012 O LYS A 90 2.615 -12.776 9.099 1.00 0.00 O ATOM 1013 CB LYS A 90 5.425 -13.920 7.712 1.00 0.00 C ATOM 1014 CG LYS A 90 6.176 -14.723 6.658 1.00 0.00 C ATOM 1015 CD LYS A 90 7.547 -14.125 6.379 1.00 0.00 C ATOM 1016 CE LYS A 90 8.391 -15.052 5.515 1.00 0.00 C ATOM 1017 NZ LYS A 90 9.770 -14.529 5.323 1.00 0.00 N ATOM 0 H LYS A 90 3.154 -13.106 6.500 1.00 0.00 H new ATOM 0 HA LYS A 90 3.980 -15.454 8.103 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.418 -12.871 7.415 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.970 -13.981 8.654 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.288 -15.754 6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.595 -14.750 5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.431 -13.164 5.879 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.061 -13.934 7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.438 -16.037 5.978 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.912 -15.179 4.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.312 -15.189 4.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.727 -13.600 4.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.236 -14.432 6.248 1.00 0.00 H new ATOM 1031 N GLN A 91 3.836 -14.185 10.360 1.00 0.00 N ATOM 1032 CA GLN A 91 3.400 -13.603 11.625 1.00 0.00 C ATOM 1033 C GLN A 91 4.173 -12.325 11.931 1.00 0.00 C ATOM 1034 O GLN A 91 5.154 -12.343 12.676 1.00 0.00 O ATOM 1035 CB GLN A 91 3.581 -14.606 12.768 1.00 0.00 C ATOM 1036 CG GLN A 91 2.915 -14.194 14.069 1.00 0.00 C ATOM 1037 CD GLN A 91 3.105 -15.222 15.169 1.00 0.00 C ATOM 1038 OE1 GLN A 91 3.736 -16.261 14.963 1.00 0.00 O ATOM 1039 NE2 GLN A 91 2.555 -14.939 16.343 1.00 0.00 N ATOM 0 H GLN A 91 4.477 -14.973 10.456 1.00 0.00 H new ATOM 0 HA GLN A 91 2.342 -13.356 11.533 1.00 0.00 H new ATOM 0 HB2 GLN A 91 3.180 -15.571 12.457 1.00 0.00 H new ATOM 0 HB3 GLN A 91 4.647 -14.747 12.947 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.323 -13.237 14.395 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.849 -14.044 13.896 1.00 0.00 H new ATOM 0 HE21 GLN A 91 2.041 -14.067 16.469 1.00 0.00 H new ATOM 0 HE22 GLN A 91 2.646 -15.594 17.120 1.00 0.00 H new ATOM 1048 N LEU A 92 3.728 -11.216 11.351 1.00 0.00 N ATOM 1049 CA LEU A 92 4.416 -9.941 11.507 1.00 0.00 C ATOM 1050 C LEU A 92 3.426 -8.819 11.800 1.00 0.00 C ATOM 1051 O LEU A 92 2.246 -8.893 11.454 1.00 0.00 O ATOM 1052 CB LEU A 92 5.232 -9.621 10.249 1.00 0.00 C ATOM 1053 CG LEU A 92 4.495 -9.831 8.921 1.00 0.00 C ATOM 1054 CD1 LEU A 92 3.511 -8.695 8.684 1.00 0.00 C ATOM 1055 CD2 LEU A 92 5.505 -9.916 7.785 1.00 0.00 C ATOM 0 H LEU A 92 2.892 -11.175 10.768 1.00 0.00 H new ATOM 0 HA LEU A 92 5.096 -10.021 12.355 1.00 0.00 H new ATOM 0 HB2 LEU A 92 5.561 -8.583 10.303 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.129 -10.240 10.250 1.00 0.00 H new ATOM 0 HG LEU A 92 3.934 -10.765 8.961 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.993 -8.854 7.738 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.784 -8.668 9.496 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.050 -7.748 8.648 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.980 -10.065 6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.079 -8.990 7.738 1.00 0.00 H new ATOM 0 HD23 LEU A 92 6.181 -10.753 7.961 1.00 0.00 H new ATOM 1067 N PRO A 93 3.912 -7.752 12.450 1.00 0.00 N ATOM 1068 CA PRO A 93 3.088 -6.591 12.797 1.00 0.00 C ATOM 1069 C PRO A 93 2.674 -5.785 11.572 1.00 0.00 C ATOM 1070 O PRO A 93 3.283 -5.899 10.507 1.00 0.00 O ATOM 1071 CB PRO A 93 3.979 -5.777 13.742 1.00 0.00 C ATOM 1072 CG PRO A 93 5.370 -6.147 13.351 1.00 0.00 C ATOM 1073 CD PRO A 93 5.305 -7.604 12.979 1.00 0.00 C ATOM 0 HA PRO A 93 2.143 -6.881 13.257 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.806 -4.707 13.628 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.781 -6.023 14.785 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.717 -5.542 12.513 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.067 -5.982 14.173 1.00 0.00 H new ATOM 0 HD2 PRO A 93 6.052 -7.863 12.229 1.00 0.00 H new ATOM 0 HD3 PRO A 93 5.481 -8.249 13.840 1.00 0.00 H new ATOM 1081 N LEU A 94 1.637 -4.971 11.727 1.00 0.00 N ATOM 1082 CA LEU A 94 1.169 -4.112 10.643 1.00 0.00 C ATOM 1083 C LEU A 94 2.255 -3.127 10.222 1.00 0.00 C ATOM 1084 O LEU A 94 2.255 -2.633 9.096 1.00 0.00 O ATOM 1085 CB LEU A 94 -0.098 -3.361 11.071 1.00 0.00 C ATOM 1086 CG LEU A 94 -1.343 -4.237 11.267 1.00 0.00 C ATOM 1087 CD1 LEU A 94 -2.489 -3.400 11.819 1.00 0.00 C ATOM 1088 CD2 LEU A 94 -1.729 -4.872 9.941 1.00 0.00 C ATOM 0 H LEU A 94 1.103 -4.887 12.592 1.00 0.00 H new ATOM 0 HA LEU A 94 0.932 -4.741 9.785 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.108 -2.836 12.004 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.322 -2.602 10.321 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.123 -5.028 11.984 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.368 -4.031 11.955 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.198 -2.972 12.778 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.723 -2.597 11.120 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.613 -5.494 10.079 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.946 -4.090 9.213 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.905 -5.487 9.579 1.00 0.00 H new ATOM 1100 N ASN A 95 3.181 -2.849 11.134 1.00 0.00 N ATOM 1101 CA ASN A 95 4.309 -1.972 10.837 1.00 0.00 C ATOM 1102 C ASN A 95 5.207 -2.586 9.768 1.00 0.00 C ATOM 1103 O ASN A 95 5.912 -1.873 9.054 1.00 0.00 O ATOM 1104 CB ASN A 95 5.113 -1.658 12.084 1.00 0.00 C ATOM 1105 CG ASN A 95 4.421 -0.713 13.027 1.00 0.00 C ATOM 1106 OD1 ASN A 95 3.503 0.020 12.641 1.00 0.00 O ATOM 1107 ND2 ASN A 95 4.910 -0.667 14.241 1.00 0.00 N ATOM 0 H ASN A 95 3.173 -3.218 12.085 1.00 0.00 H new ATOM 0 HA ASN A 95 3.902 -1.036 10.455 1.00 0.00 H new ATOM 0 HB2 ASN A 95 5.330 -2.588 12.610 1.00 0.00 H new ATOM 0 HB3 ASN A 95 6.070 -1.228 11.790 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.533 -0.004 14.918 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.668 -1.294 14.510 1.00 0.00 H new ATOM 1114 N GLN A 96 5.176 -3.910 9.665 1.00 0.00 N ATOM 1115 CA GLN A 96 6.008 -4.621 8.701 1.00 0.00 C ATOM 1116 C GLN A 96 5.149 -5.393 7.704 1.00 0.00 C ATOM 1117 O GLN A 96 5.617 -6.335 7.065 1.00 0.00 O ATOM 1118 CB GLN A 96 6.962 -5.580 9.418 1.00 0.00 C ATOM 1119 CG GLN A 96 8.051 -4.890 10.219 1.00 0.00 C ATOM 1120 CD GLN A 96 9.029 -4.135 9.340 1.00 0.00 C ATOM 1121 OE1 GLN A 96 9.459 -4.634 8.296 1.00 0.00 O ATOM 1122 NE2 GLN A 96 9.388 -2.926 9.757 1.00 0.00 N ATOM 0 H GLN A 96 4.584 -4.513 10.237 1.00 0.00 H new ATOM 0 HA GLN A 96 6.593 -3.881 8.155 1.00 0.00 H new ATOM 0 HB2 GLN A 96 6.384 -6.218 10.086 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.428 -6.232 8.679 1.00 0.00 H new ATOM 0 HG2 GLN A 96 7.594 -4.198 10.926 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.593 -5.633 10.805 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.008 -2.553 10.627 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.044 -2.371 9.208 1.00 0.00 H new ATOM 1131 N ALA A 97 3.889 -4.988 7.578 1.00 0.00 N ATOM 1132 CA ALA A 97 2.979 -5.611 6.626 1.00 0.00 C ATOM 1133 C ALA A 97 3.208 -5.075 5.217 1.00 0.00 C ATOM 1134 O ALA A 97 3.469 -3.887 5.028 1.00 0.00 O ATOM 1135 CB ALA A 97 1.536 -5.383 7.050 1.00 0.00 C ATOM 0 H ALA A 97 3.476 -4.231 8.123 1.00 0.00 H new ATOM 0 HA ALA A 97 3.179 -6.682 6.617 1.00 0.00 H new ATOM 0 HB1 ALA A 97 0.867 -5.854 6.330 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.373 -5.819 8.036 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.333 -4.313 7.089 1.00 0.00 H new ATOM 1141 N ARG A 98 3.110 -5.961 4.229 1.00 0.00 N ATOM 1142 CA ARG A 98 3.309 -5.576 2.838 1.00 0.00 C ATOM 1143 C ARG A 98 2.069 -5.886 2.005 1.00 0.00 C ATOM 1144 O ARG A 98 2.169 -6.290 0.847 1.00 0.00 O ATOM 1145 CB ARG A 98 4.556 -6.208 2.238 1.00 0.00 C ATOM 1146 CG ARG A 98 5.827 -5.388 2.395 1.00 0.00 C ATOM 1147 CD ARG A 98 6.482 -5.523 3.721 1.00 0.00 C ATOM 1148 NE ARG A 98 7.779 -4.872 3.822 1.00 0.00 N ATOM 1149 CZ ARG A 98 8.551 -4.870 4.925 1.00 0.00 C ATOM 1150 NH1 ARG A 98 8.148 -5.448 6.036 1.00 0.00 N ATOM 1151 NH2 ARG A 98 9.716 -4.249 4.871 1.00 0.00 N ATOM 0 H ARG A 98 2.894 -6.948 4.367 1.00 0.00 H new ATOM 0 HA ARG A 98 3.467 -4.498 2.820 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.710 -7.183 2.701 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.382 -6.383 1.176 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.535 -5.685 1.621 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.591 -4.338 2.225 1.00 0.00 H new ATOM 0 HD2 ARG A 98 5.821 -5.109 4.482 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.603 -6.583 3.946 1.00 0.00 H new ATOM 0 HE ARG A 98 8.128 -4.382 2.998 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.238 -5.907 6.071 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.746 -5.437 6.862 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.009 -3.788 4.009 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.323 -4.231 5.691 1.00 0.00 H new ATOM 1165 N ALA A 99 0.897 -5.695 2.604 1.00 0.00 N ATOM 1166 CA ALA A 99 -0.364 -5.914 1.906 1.00 0.00 C ATOM 1167 C ALA A 99 -1.538 -5.353 2.703 1.00 0.00 C ATOM 1168 O ALA A 99 -1.542 -5.398 3.934 1.00 0.00 O ATOM 1169 CB ALA A 99 -0.567 -7.397 1.637 1.00 0.00 C ATOM 0 H ALA A 99 0.795 -5.389 3.572 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.320 -5.386 0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.512 -7.546 1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.251 -7.770 1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.585 -7.939 2.582 1.00 0.00 H new ATOM 1175 N TRP A 100 -2.529 -4.827 1.994 1.00 0.00 N ATOM 1176 CA TRP A 100 -3.749 -4.343 2.631 1.00 0.00 C ATOM 1177 C TRP A 100 -4.977 -4.723 1.811 1.00 0.00 C ATOM 1178 O TRP A 100 -4.862 -5.131 0.656 1.00 0.00 O ATOM 1179 CB TRP A 100 -3.688 -2.825 2.807 1.00 0.00 C ATOM 1180 CG TRP A 100 -2.440 -2.357 3.495 1.00 0.00 C ATOM 1181 CD1 TRP A 100 -2.292 -2.078 4.823 1.00 0.00 C ATOM 1182 CD2 TRP A 100 -1.170 -2.109 2.886 1.00 0.00 C ATOM 1183 NE1 TRP A 100 -1.003 -1.674 5.078 1.00 0.00 N ATOM 1184 CE2 TRP A 100 -0.294 -1.685 3.906 1.00 0.00 C ATOM 1185 CE3 TRP A 100 -0.684 -2.207 1.580 1.00 0.00 C ATOM 1186 CZ2 TRP A 100 1.035 -1.360 3.656 1.00 0.00 C ATOM 1187 CZ3 TRP A 100 0.638 -1.883 1.335 1.00 0.00 C ATOM 1188 CH2 TRP A 100 1.484 -1.463 2.368 1.00 0.00 C ATOM 0 H TRP A 100 -2.513 -4.724 0.979 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.830 -4.813 3.611 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -3.755 -2.350 1.828 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.555 -2.498 3.380 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -3.073 -2.162 5.564 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -0.634 -1.409 5.991 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -1.329 -2.530 0.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.690 -1.037 4.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 1.024 -1.955 0.329 1.00 0.00 H new ATOM 0 HH2 TRP A 100 2.511 -1.215 2.144 1.00 0.00 H new ATOM 1199 N SER A 101 -6.153 -4.584 2.415 1.00 0.00 N ATOM 1200 CA SER A 101 -7.407 -4.749 1.692 1.00 0.00 C ATOM 1201 C SER A 101 -7.893 -3.414 1.133 1.00 0.00 C ATOM 1202 O SER A 101 -7.604 -2.354 1.689 1.00 0.00 O ATOM 1203 CB SER A 101 -8.459 -5.357 2.601 1.00 0.00 C ATOM 1204 OG SER A 101 -8.803 -4.500 3.654 1.00 0.00 O ATOM 0 H SER A 101 -6.263 -4.357 3.403 1.00 0.00 H new ATOM 0 HA SER A 101 -7.234 -5.424 0.854 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.350 -5.591 2.018 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.087 -6.298 3.006 1.00 0.00 H new ATOM 0 HG SER A 101 -9.484 -4.927 4.215 1.00 0.00 H new ATOM 1210 N TRP A 102 -8.629 -3.475 0.030 1.00 0.00 N ATOM 1211 CA TRP A 102 -9.312 -2.300 -0.499 1.00 0.00 C ATOM 1212 C TRP A 102 -10.279 -1.723 0.532 1.00 0.00 C ATOM 1213 O TRP A 102 -10.501 -0.514 0.577 1.00 0.00 O ATOM 1214 CB TRP A 102 -10.066 -2.656 -1.781 1.00 0.00 C ATOM 1215 CG TRP A 102 -9.246 -2.476 -3.022 1.00 0.00 C ATOM 1216 CD1 TRP A 102 -8.969 -3.423 -3.966 1.00 0.00 C ATOM 1217 CD2 TRP A 102 -8.595 -1.276 -3.452 1.00 0.00 C ATOM 1218 NE1 TRP A 102 -8.185 -2.884 -4.957 1.00 0.00 N ATOM 1219 CE2 TRP A 102 -7.942 -1.568 -4.666 1.00 0.00 C ATOM 1220 CE3 TRP A 102 -8.500 0.017 -2.931 1.00 0.00 C ATOM 1221 CZ2 TRP A 102 -7.206 -0.613 -5.363 1.00 0.00 C ATOM 1222 CZ3 TRP A 102 -7.770 0.963 -3.624 1.00 0.00 C ATOM 1223 CH2 TRP A 102 -7.132 0.645 -4.830 1.00 0.00 C ATOM 0 H TRP A 102 -8.768 -4.325 -0.516 1.00 0.00 H new ATOM 0 HA TRP A 102 -8.560 -1.545 -0.727 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -10.400 -3.692 -1.722 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -10.960 -2.037 -1.852 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -9.315 -4.446 -3.938 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.840 -3.383 -5.777 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -8.989 0.272 -2.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -6.711 -0.857 -6.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.690 1.965 -3.229 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -6.571 1.408 -5.349 1.00 0.00 H new ATOM 1234 N GLU A 103 -10.849 -2.598 1.354 1.00 0.00 N ATOM 1235 CA GLU A 103 -11.798 -2.174 2.377 1.00 0.00 C ATOM 1236 C GLU A 103 -11.094 -1.398 3.485 1.00 0.00 C ATOM 1237 O GLU A 103 -11.653 -0.459 4.054 1.00 0.00 O ATOM 1238 CB GLU A 103 -12.532 -3.384 2.963 1.00 0.00 C ATOM 1239 CG GLU A 103 -13.552 -4.015 2.025 1.00 0.00 C ATOM 1240 CD GLU A 103 -14.630 -3.036 1.651 1.00 0.00 C ATOM 1241 OE1 GLU A 103 -15.231 -2.478 2.537 1.00 0.00 O ATOM 1242 OE2 GLU A 103 -14.775 -2.761 0.483 1.00 0.00 O ATOM 0 H GLU A 103 -10.671 -3.602 1.332 1.00 0.00 H new ATOM 0 HA GLU A 103 -12.528 -1.515 1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.797 -4.139 3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -13.039 -3.078 3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -13.051 -4.369 1.124 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -13.999 -4.886 2.504 1.00 0.00 H new ATOM 1249 N PHE A 104 -9.862 -1.797 3.789 1.00 0.00 N ATOM 1250 CA PHE A 104 -9.021 -1.044 4.711 1.00 0.00 C ATOM 1251 C PHE A 104 -8.632 0.307 4.115 1.00 0.00 C ATOM 1252 O PHE A 104 -8.670 1.331 4.795 1.00 0.00 O ATOM 1253 CB PHE A 104 -7.768 -1.844 5.068 1.00 0.00 C ATOM 1254 CG PHE A 104 -6.815 -1.111 5.967 1.00 0.00 C ATOM 1255 CD1 PHE A 104 -7.051 -1.026 7.332 1.00 0.00 C ATOM 1256 CD2 PHE A 104 -5.680 -0.502 5.451 1.00 0.00 C ATOM 1257 CE1 PHE A 104 -6.175 -0.351 8.159 1.00 0.00 C ATOM 1258 CE2 PHE A 104 -4.802 0.172 6.278 1.00 0.00 C ATOM 1259 CZ PHE A 104 -5.050 0.249 7.633 1.00 0.00 C ATOM 0 H PHE A 104 -9.425 -2.637 3.410 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.594 -0.865 5.621 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.068 -2.773 5.553 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.249 -2.117 4.149 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.930 -1.493 7.752 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.481 -0.555 4.391 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.371 -0.293 9.219 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.921 0.639 5.863 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.365 0.777 8.280 1.00 0.00 H new ATOM 1269 N ILE A 105 -8.256 0.298 2.840 1.00 0.00 N ATOM 1270 CA ILE A 105 -7.967 1.532 2.122 1.00 0.00 C ATOM 1271 C ILE A 105 -9.163 2.475 2.141 1.00 0.00 C ATOM 1272 O ILE A 105 -9.014 3.683 2.337 1.00 0.00 O ATOM 1273 CB ILE A 105 -7.565 1.255 0.661 1.00 0.00 C ATOM 1274 CG1 ILE A 105 -6.230 0.505 0.606 1.00 0.00 C ATOM 1275 CG2 ILE A 105 -7.482 2.554 -0.123 1.00 0.00 C ATOM 1276 CD1 ILE A 105 -5.926 -0.100 -0.744 1.00 0.00 C ATOM 0 H ILE A 105 -8.145 -0.550 2.284 1.00 0.00 H new ATOM 0 HA ILE A 105 -7.130 2.005 2.635 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.330 0.627 0.204 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.427 1.191 0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -6.238 -0.287 1.355 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -7.197 2.340 -1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.453 3.049 -0.111 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.736 3.206 0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.966 -0.614 -0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.708 -0.812 -1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.885 0.689 -1.495 1.00 0.00 H new ATOM 1288 N LYS A 106 -10.352 1.918 1.939 1.00 0.00 N ATOM 1289 CA LYS A 106 -11.582 2.700 1.977 1.00 0.00 C ATOM 1290 C LYS A 106 -11.885 3.168 3.397 1.00 0.00 C ATOM 1291 O LYS A 106 -12.319 4.300 3.609 1.00 0.00 O ATOM 1292 CB LYS A 106 -12.754 1.886 1.427 1.00 0.00 C ATOM 1293 CG LYS A 106 -12.740 1.706 -0.085 1.00 0.00 C ATOM 1294 CD LYS A 106 -13.601 0.526 -0.510 1.00 0.00 C ATOM 1295 CE LYS A 106 -15.065 0.753 -0.161 1.00 0.00 C ATOM 1296 NZ LYS A 106 -15.924 -0.381 -0.598 1.00 0.00 N ATOM 0 H LYS A 106 -10.490 0.926 1.747 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.442 3.579 1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.750 0.903 1.898 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.686 2.374 1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.103 2.615 -0.565 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.716 1.553 -0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.501 0.369 -1.584 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.245 -0.381 -0.021 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -15.164 0.889 0.916 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -15.412 1.673 -0.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -16.894 -0.235 -0.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -15.930 -0.432 -1.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.549 -1.270 -0.210 1.00 0.00 H new ATOM 1310 N ASN A 107 -11.655 2.289 4.367 1.00 0.00 N ATOM 1311 CA ASN A 107 -11.935 2.600 5.764 1.00 0.00 C ATOM 1312 C ASN A 107 -11.078 3.768 6.242 1.00 0.00 C ATOM 1313 O ASN A 107 -11.552 4.642 6.971 1.00 0.00 O ATOM 1314 CB ASN A 107 -11.725 1.391 6.656 1.00 0.00 C ATOM 1315 CG ASN A 107 -12.842 0.388 6.589 1.00 0.00 C ATOM 1316 OD1 ASN A 107 -13.964 0.705 6.178 1.00 0.00 O ATOM 1317 ND2 ASN A 107 -12.564 -0.799 7.066 1.00 0.00 N ATOM 0 H ASN A 107 -11.275 1.355 4.211 1.00 0.00 H new ATOM 0 HA ASN A 107 -12.984 2.888 5.831 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -10.792 0.902 6.376 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -11.612 1.727 7.687 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -13.291 -1.513 7.111 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -11.621 -1.009 7.392 1.00 0.00 H new ATOM 1324 N ARG A 108 -9.815 3.779 5.827 1.00 0.00 N ATOM 1325 CA ARG A 108 -8.904 4.859 6.182 1.00 0.00 C ATOM 1326 C ARG A 108 -9.195 6.110 5.357 1.00 0.00 C ATOM 1327 O ARG A 108 -9.039 7.234 5.836 1.00 0.00 O ATOM 1328 CB ARG A 108 -7.445 4.442 6.071 1.00 0.00 C ATOM 1329 CG ARG A 108 -7.008 3.374 7.062 1.00 0.00 C ATOM 1330 CD ARG A 108 -6.911 3.845 8.467 1.00 0.00 C ATOM 1331 NE ARG A 108 -5.948 4.913 8.679 1.00 0.00 N ATOM 1332 CZ ARG A 108 -4.634 4.723 8.910 1.00 0.00 C ATOM 1333 NH1 ARG A 108 -4.130 3.512 8.995 1.00 0.00 N ATOM 1334 NH2 ARG A 108 -3.868 5.788 9.072 1.00 0.00 N ATOM 0 H ARG A 108 -9.400 3.052 5.245 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.079 5.099 7.231 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -7.262 4.076 5.061 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.819 5.323 6.209 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.713 2.544 7.018 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -6.038 2.985 6.754 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.893 4.189 8.790 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -6.644 3.001 9.102 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.291 5.873 8.651 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -4.736 2.699 8.886 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -3.133 3.386 9.170 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -4.275 6.722 9.021 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.870 5.676 9.248 1.00 0.00 H new ATOM 1348 N LEU A 109 -9.620 5.907 4.115 1.00 0.00 N ATOM 1349 CA LEU A 109 -9.983 7.016 3.241 1.00 0.00 C ATOM 1350 C LEU A 109 -11.280 7.672 3.703 1.00 0.00 C ATOM 1351 O LEU A 109 -11.439 8.891 3.613 1.00 0.00 O ATOM 1352 CB LEU A 109 -10.118 6.529 1.792 1.00 0.00 C ATOM 1353 CG LEU A 109 -10.498 7.610 0.773 1.00 0.00 C ATOM 1354 CD1 LEU A 109 -9.475 8.737 0.799 1.00 0.00 C ATOM 1355 CD2 LEU A 109 -10.585 6.992 -0.615 1.00 0.00 C ATOM 0 H LEU A 109 -9.722 4.985 3.691 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.189 7.762 3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.173 6.081 1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.870 5.741 1.759 1.00 0.00 H new ATOM 0 HG LEU A 109 -11.471 8.028 1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -9.755 9.499 0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.446 9.179 1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.491 8.341 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -10.855 7.761 -1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.619 6.564 -0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.343 6.209 -0.618 1.00 0.00 H new ATOM 1367 N LYS A 110 -12.203 6.859 4.205 1.00 0.00 N ATOM 1368 CA LYS A 110 -13.479 7.362 4.700 1.00 0.00 C ATOM 1369 C LYS A 110 -13.274 8.250 5.924 1.00 0.00 C ATOM 1370 O LYS A 110 -14.052 9.171 6.171 1.00 0.00 O ATOM 1371 CB LYS A 110 -14.418 6.204 5.039 1.00 0.00 C ATOM 1372 CG LYS A 110 -15.040 5.524 3.826 1.00 0.00 C ATOM 1373 CD LYS A 110 -15.899 4.337 4.237 1.00 0.00 C ATOM 1374 CE LYS A 110 -16.534 3.668 3.028 1.00 0.00 C ATOM 1375 NZ LYS A 110 -17.382 2.507 3.414 1.00 0.00 N ATOM 0 H LYS A 110 -12.091 5.848 4.280 1.00 0.00 H new ATOM 0 HA LYS A 110 -13.934 7.962 3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.866 5.461 5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -15.216 6.575 5.682 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -15.648 6.242 3.276 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.253 5.189 3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.288 3.613 4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.679 4.670 4.922 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.140 4.396 2.488 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -15.752 3.335 2.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.796 2.080 2.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -16.800 1.800 3.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -18.144 2.828 4.044 1.00 0.00 H new ATOM 1389 N GLU A 111 -12.221 7.968 6.686 1.00 0.00 N ATOM 1390 CA GLU A 111 -11.878 8.784 7.845 1.00 0.00 C ATOM 1391 C GLU A 111 -11.381 10.161 7.414 1.00 0.00 C ATOM 1392 O GLU A 111 -11.263 11.074 8.230 1.00 0.00 O ATOM 1393 CB GLU A 111 -10.818 8.084 8.698 1.00 0.00 C ATOM 1394 CG GLU A 111 -11.325 6.862 9.452 1.00 0.00 C ATOM 1395 CD GLU A 111 -10.212 6.180 10.197 1.00 0.00 C ATOM 1396 OE1 GLU A 111 -9.094 6.625 10.095 1.00 0.00 O ATOM 1397 OE2 GLU A 111 -10.494 5.284 10.957 1.00 0.00 O ATOM 0 H GLU A 111 -11.592 7.182 6.522 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.780 8.916 8.443 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.992 7.782 8.054 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.417 8.799 9.417 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.104 7.162 10.153 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.779 6.162 8.751 1.00 0.00 H new ATOM 1404 N LEU A 112 -11.092 10.302 6.124 1.00 0.00 N ATOM 1405 CA LEU A 112 -10.485 11.523 5.605 1.00 0.00 C ATOM 1406 C LEU A 112 -11.530 12.406 4.933 1.00 0.00 C ATOM 1407 O LEU A 112 -11.193 13.324 4.187 1.00 0.00 O ATOM 1408 CB LEU A 112 -9.358 11.180 4.621 1.00 0.00 C ATOM 1409 CG LEU A 112 -8.236 10.304 5.193 1.00 0.00 C ATOM 1410 CD1 LEU A 112 -7.246 9.943 4.093 1.00 0.00 C ATOM 1411 CD2 LEU A 112 -7.540 11.045 6.325 1.00 0.00 C ATOM 0 H LEU A 112 -11.268 9.586 5.419 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.061 12.078 6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.791 10.671 3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.921 12.109 4.255 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.659 9.380 5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.453 9.321 4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.762 9.395 3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.814 10.854 3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.743 10.423 6.731 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.116 11.975 5.945 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.261 11.269 7.111 1.00 0.00 H new ATOM 1423 N ASN A 113 -12.798 12.125 5.207 1.00 0.00 N ATOM 1424 CA ASN A 113 -13.891 12.951 4.702 1.00 0.00 C ATOM 1425 C ASN A 113 -13.914 14.308 5.395 1.00 0.00 C ATOM 1426 O ASN A 113 -13.852 15.351 4.744 1.00 0.00 O ATOM 1427 CB ASN A 113 -15.233 12.256 4.858 1.00 0.00 C ATOM 1428 CG ASN A 113 -15.457 11.143 3.871 1.00 0.00 C ATOM 1429 OD1 ASN A 113 -14.780 11.055 2.840 1.00 0.00 O ATOM 1430 ND2 ASN A 113 -16.457 10.344 4.141 1.00 0.00 N ATOM 0 H ASN A 113 -13.096 11.332 5.776 1.00 0.00 H new ATOM 0 HA ASN A 113 -13.714 13.107 3.638 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -15.309 11.854 5.868 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -16.029 12.993 4.748 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -16.710 9.605 3.486 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -16.983 10.460 5.007 1.00 0.00 H new ATOM 1437 N LEU A 114 -14.001 14.287 6.721 1.00 0.00 N ATOM 1438 CA LEU A 114 -14.046 15.518 7.503 1.00 0.00 C ATOM 1439 C LEU A 114 -12.640 16.002 7.841 1.00 0.00 C ATOM 1440 O LEU A 114 -12.218 17.070 7.399 1.00 0.00 O ATOM 1441 CB LEU A 114 -14.863 15.302 8.785 1.00 0.00 C ATOM 1442 CG LEU A 114 -16.328 14.902 8.568 1.00 0.00 C ATOM 1443 CD1 LEU A 114 -17.000 14.636 9.907 1.00 0.00 C ATOM 1444 CD2 LEU A 114 -17.049 16.009 7.812 1.00 0.00 C ATOM 1445 OXT LEU A 114 -11.931 15.338 8.547 1.00 0.00 O ATOM 0 H LEU A 114 -14.042 13.432 7.276 1.00 0.00 H new ATOM 0 HA LEU A 114 -14.531 16.287 6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -14.377 14.529 9.380 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -14.837 16.220 9.372 1.00 0.00 H new ATOM 0 HG LEU A 114 -16.373 13.987 7.977 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -18.040 14.353 9.742 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -16.480 13.827 10.421 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -16.962 15.537 10.519 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -18.090 15.726 7.657 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -17.006 16.932 8.390 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -16.568 16.163 6.846 1.00 0.00 H new TER 1457 LEU A 114