USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 804 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 ASN : amide:sc= 0.00508 K(o=2,f=1.1) USER MOD Set 1.2: A 78 THR OG1 : rot -56:sc= 2.03 USER MOD Set 2.1: A 19 TYR OH : rot 162:sc= 0.714 USER MOD Set 2.2: A 104 ASN : amide:sc= 0.758 K(o=1.5,f=0.02) USER MOD Set 3.1: A 4 HIS : no HD1:sc= -0.133 K(o=-0.82,f=-6.4!) USER MOD Set 3.2: A 6 HIS : no HD1:sc= -0.688 K(o=-0.82,f=-2.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -2.88 K(o=-2.9,f=-3.9!) USER MOD Single : A 5 HIS : no HE2:sc= 0.235 K(o=0.23,f=-1.7) USER MOD Single : A 7 HIS : no HE2:sc= 0.052 K(o=0.052,f=-2.8!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc=-0.000826 USER MOD Single : A 17 HIS :FLIP no HD1:sc= -0.163 F(o=-1.1,f=-0.16) USER MOD Single : A 18 SER OG : rot -172:sc= 0.0277 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -86:sc= 1.23 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 66:sc= 0.944 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -3:sc= 0.25 USER MOD Single : A 75 ASN :FLIP amide:sc= -0.195 F(o=-1.1,f=-0.2) USER MOD Single : A 79 TYR OH : rot 180:sc= 0.413 USER MOD Single : A 83 TYR OH : rot -64:sc= 1.05 USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-2.7) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 1.14 K(o=1.1,f=-0.026) USER MOD Single : A 94 ASN : amide:sc= -0.729 K(o=-0.73,f=-2.9!) USER MOD Single : A 96 THR OG1 : rot 170:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 0.584 K(o=0.58,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 138:sc= 0.394 (180deg=-0.671) USER MOD Single : A 105 MET CE :methyl 180:sc= -0.0598 (180deg=-0.0598) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 CYS SG : rot 141:sc= -0.133 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.935 -14.518 -9.855 1.00 0.00 N ATOM 2 CA MET A 1 -10.584 -13.672 -10.870 1.00 0.00 C ATOM 3 C MET A 1 -11.975 -13.263 -10.402 1.00 0.00 C ATOM 4 O MET A 1 -12.988 -13.926 -10.625 1.00 0.00 O ATOM 5 CB MET A 1 -10.578 -14.393 -12.210 1.00 0.00 C ATOM 6 CG MET A 1 -11.149 -13.602 -13.376 1.00 0.00 C ATOM 7 SD MET A 1 -10.743 -11.836 -13.351 1.00 0.00 S ATOM 8 CE MET A 1 -11.335 -11.506 -15.030 1.00 0.00 C ATOM 0 H1 MET A 1 -8.987 -14.791 -10.185 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.852 -13.989 -8.963 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.506 -15.373 -9.699 1.00 0.00 H new ATOM 0 HA MET A 1 -10.028 -12.745 -11.008 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.552 -14.672 -12.449 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.144 -15.319 -12.108 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.782 -14.034 -14.307 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.233 -13.713 -13.379 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.192 -10.451 -15.266 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.775 -12.115 -15.739 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.395 -11.752 -15.097 1.00 0.00 H new ATOM 20 N HIS A 2 -12.077 -12.174 -9.632 1.00 0.00 N ATOM 21 CA HIS A 2 -13.239 -11.516 -9.072 1.00 0.00 C ATOM 22 C HIS A 2 -13.465 -10.115 -9.604 1.00 0.00 C ATOM 23 O HIS A 2 -14.048 -9.281 -8.910 1.00 0.00 O ATOM 24 CB HIS A 2 -13.232 -11.652 -7.554 1.00 0.00 C ATOM 25 CG HIS A 2 -13.065 -13.085 -7.144 1.00 0.00 C ATOM 26 ND1 HIS A 2 -11.860 -13.612 -6.723 1.00 0.00 N ATOM 27 CD2 HIS A 2 -13.979 -14.112 -7.060 1.00 0.00 C ATOM 28 CE1 HIS A 2 -12.037 -14.903 -6.407 1.00 0.00 C ATOM 29 NE2 HIS A 2 -13.319 -15.240 -6.567 1.00 0.00 N ATOM 0 H HIS A 2 -11.229 -11.678 -9.358 1.00 0.00 H new ATOM 0 HA HIS A 2 -14.132 -12.033 -9.423 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -12.423 -11.054 -7.135 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -14.163 -11.259 -7.146 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -15.024 -14.055 -7.328 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -11.258 -15.572 -6.072 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -13.737 -16.149 -6.367 1.00 0.00 H new ATOM 37 N HIS A 3 -13.266 -9.867 -10.902 1.00 0.00 N ATOM 38 CA HIS A 3 -13.611 -8.648 -11.605 1.00 0.00 C ATOM 39 C HIS A 3 -15.070 -8.629 -12.049 1.00 0.00 C ATOM 40 O HIS A 3 -15.739 -9.649 -11.951 1.00 0.00 O ATOM 41 CB HIS A 3 -12.736 -8.457 -12.838 1.00 0.00 C ATOM 42 CG HIS A 3 -11.435 -7.730 -12.658 1.00 0.00 C ATOM 43 ND1 HIS A 3 -11.224 -6.595 -11.894 1.00 0.00 N ATOM 44 CD2 HIS A 3 -10.235 -7.940 -13.284 1.00 0.00 C ATOM 45 CE1 HIS A 3 -9.967 -6.164 -12.056 1.00 0.00 C ATOM 46 NE2 HIS A 3 -9.344 -6.914 -12.970 1.00 0.00 N ATOM 0 H HIS A 3 -12.835 -10.557 -11.517 1.00 0.00 H new ATOM 0 HA HIS A 3 -13.445 -7.837 -10.896 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -12.517 -9.442 -13.251 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -13.320 -7.921 -13.586 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -10.011 -8.778 -13.927 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.523 -5.334 -11.527 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.412 -6.767 -13.357 1.00 0.00 H new ATOM 54 N HIS A 4 -15.580 -7.504 -12.554 1.00 0.00 N ATOM 55 CA HIS A 4 -16.919 -7.359 -13.090 1.00 0.00 C ATOM 56 C HIS A 4 -17.016 -6.281 -14.160 1.00 0.00 C ATOM 57 O HIS A 4 -16.671 -5.120 -13.931 1.00 0.00 O ATOM 58 CB HIS A 4 -17.892 -7.060 -11.964 1.00 0.00 C ATOM 59 CG HIS A 4 -17.589 -5.855 -11.123 1.00 0.00 C ATOM 60 ND1 HIS A 4 -17.750 -4.497 -11.341 1.00 0.00 N ATOM 61 CD2 HIS A 4 -16.727 -5.962 -10.054 1.00 0.00 C ATOM 62 CE1 HIS A 4 -17.047 -3.835 -10.405 1.00 0.00 C ATOM 63 NE2 HIS A 4 -16.398 -4.685 -9.603 1.00 0.00 N ATOM 0 H HIS A 4 -15.043 -6.638 -12.599 1.00 0.00 H new ATOM 0 HA HIS A 4 -17.176 -8.304 -13.569 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -18.885 -6.935 -12.395 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -17.936 -7.931 -11.310 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -16.364 -6.888 -9.633 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -17.011 -2.759 -10.313 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -15.787 -4.448 -8.821 1.00 0.00 H new ATOM 71 N HIS A 5 -17.487 -6.682 -15.336 1.00 0.00 N ATOM 72 CA HIS A 5 -17.425 -5.870 -16.534 1.00 0.00 C ATOM 73 C HIS A 5 -18.749 -5.293 -17.011 1.00 0.00 C ATOM 74 O HIS A 5 -19.740 -5.996 -16.801 1.00 0.00 O ATOM 75 CB HIS A 5 -16.894 -6.772 -17.644 1.00 0.00 C ATOM 76 CG HIS A 5 -15.506 -7.232 -17.291 1.00 0.00 C ATOM 77 ND1 HIS A 5 -14.629 -6.525 -16.483 1.00 0.00 N ATOM 78 CD2 HIS A 5 -14.831 -8.275 -17.883 1.00 0.00 C ATOM 79 CE1 HIS A 5 -13.461 -7.182 -16.579 1.00 0.00 C ATOM 80 NE2 HIS A 5 -13.510 -8.201 -17.430 1.00 0.00 N ATOM 0 H HIS A 5 -17.926 -7.591 -15.480 1.00 0.00 H new ATOM 0 HA HIS A 5 -16.797 -5.012 -16.296 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -17.552 -7.631 -17.776 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -16.881 -6.233 -18.591 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -14.827 -5.688 -15.935 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -15.241 -9.007 -18.564 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -12.576 -6.910 -16.023 1.00 0.00 H new ATOM 88 N HIS A 6 -18.802 -4.010 -17.383 1.00 0.00 N ATOM 89 CA HIS A 6 -20.042 -3.279 -17.582 1.00 0.00 C ATOM 90 C HIS A 6 -20.117 -2.406 -18.822 1.00 0.00 C ATOM 91 O HIS A 6 -21.199 -2.325 -19.394 1.00 0.00 O ATOM 92 CB HIS A 6 -20.287 -2.496 -16.299 1.00 0.00 C ATOM 93 CG HIS A 6 -20.463 -3.326 -15.053 1.00 0.00 C ATOM 94 ND1 HIS A 6 -21.470 -4.237 -14.786 1.00 0.00 N ATOM 95 CD2 HIS A 6 -19.683 -3.330 -13.923 1.00 0.00 C ATOM 96 CE1 HIS A 6 -21.288 -4.732 -13.549 1.00 0.00 C ATOM 97 NE2 HIS A 6 -20.243 -4.161 -12.955 1.00 0.00 N ATOM 0 H HIS A 6 -17.968 -3.448 -17.555 1.00 0.00 H new ATOM 0 HA HIS A 6 -20.834 -4.001 -17.782 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -19.450 -1.815 -16.145 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -21.177 -1.882 -16.434 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -18.768 -2.770 -13.802 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -21.908 -5.492 -13.097 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -19.921 -4.301 -11.997 1.00 0.00 H new ATOM 105 N HIS A 7 -19.039 -1.749 -19.266 1.00 0.00 N ATOM 106 CA HIS A 7 -19.081 -0.670 -20.232 1.00 0.00 C ATOM 107 C HIS A 7 -17.868 -0.936 -21.101 1.00 0.00 C ATOM 108 O HIS A 7 -16.861 -1.489 -20.650 1.00 0.00 O ATOM 109 CB HIS A 7 -19.047 0.724 -19.599 1.00 0.00 C ATOM 110 CG HIS A 7 -18.263 0.843 -18.321 1.00 0.00 C ATOM 111 ND1 HIS A 7 -16.916 1.109 -18.189 1.00 0.00 N ATOM 112 CD2 HIS A 7 -18.800 0.738 -17.068 1.00 0.00 C ATOM 113 CE1 HIS A 7 -16.673 1.165 -16.871 1.00 0.00 C ATOM 114 NE2 HIS A 7 -17.794 1.036 -16.159 1.00 0.00 N ATOM 0 H HIS A 7 -18.094 -1.967 -18.949 1.00 0.00 H new ATOM 0 HA HIS A 7 -20.018 -0.659 -20.789 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -18.630 1.422 -20.325 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -20.072 1.040 -19.405 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -16.240 1.237 -18.942 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -19.819 0.472 -16.829 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -15.692 1.298 -16.440 1.00 0.00 H new ATOM 122 N ALA A 8 -17.928 -0.443 -22.336 1.00 0.00 N ATOM 123 CA ALA A 8 -16.833 -0.548 -23.271 1.00 0.00 C ATOM 124 C ALA A 8 -15.545 0.087 -22.754 1.00 0.00 C ATOM 125 O ALA A 8 -14.528 -0.604 -22.636 1.00 0.00 O ATOM 126 CB ALA A 8 -17.267 -0.044 -24.644 1.00 0.00 C ATOM 0 H ALA A 8 -18.745 0.041 -22.709 1.00 0.00 H new ATOM 0 HA ALA A 8 -16.577 -1.602 -23.382 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -16.434 -0.127 -25.342 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -18.103 -0.643 -25.004 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -17.574 0.999 -24.568 1.00 0.00 H new ATOM 132 N SER A 9 -15.526 1.393 -22.491 1.00 0.00 N ATOM 133 CA SER A 9 -14.428 2.142 -21.909 1.00 0.00 C ATOM 134 C SER A 9 -13.895 1.555 -20.610 1.00 0.00 C ATOM 135 O SER A 9 -14.605 0.952 -19.796 1.00 0.00 O ATOM 136 CB SER A 9 -14.837 3.593 -21.687 1.00 0.00 C ATOM 137 OG SER A 9 -15.097 4.219 -22.916 1.00 0.00 O ATOM 0 H SER A 9 -16.330 1.987 -22.694 1.00 0.00 H new ATOM 0 HA SER A 9 -13.614 2.081 -22.631 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.724 3.635 -21.055 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.045 4.125 -21.161 1.00 0.00 H new ATOM 0 HG SER A 9 -15.360 5.150 -22.760 1.00 0.00 H new ATOM 143 N LYS A 10 -12.616 1.795 -20.316 1.00 0.00 N ATOM 144 CA LYS A 10 -11.941 1.575 -19.055 1.00 0.00 C ATOM 145 C LYS A 10 -11.780 2.967 -18.451 1.00 0.00 C ATOM 146 O LYS A 10 -10.871 3.666 -18.881 1.00 0.00 O ATOM 147 CB LYS A 10 -10.643 0.802 -19.289 1.00 0.00 C ATOM 148 CG LYS A 10 -10.890 -0.616 -19.789 1.00 0.00 C ATOM 149 CD LYS A 10 -9.558 -1.328 -19.999 1.00 0.00 C ATOM 150 CE LYS A 10 -9.644 -2.769 -20.502 1.00 0.00 C ATOM 151 NZ LYS A 10 -9.916 -2.789 -21.948 1.00 0.00 N1+ ATOM 0 H LYS A 10 -11.982 2.179 -21.017 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.488 0.949 -18.350 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.031 1.338 -20.014 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.075 0.762 -18.360 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.497 -1.165 -19.069 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.450 -0.590 -20.724 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.967 -0.750 -20.710 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.013 -1.325 -19.055 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.710 -3.291 -20.293 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.432 -3.301 -19.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.972 -3.774 -22.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.819 -2.309 -22.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.150 -2.299 -22.452 1.00 0.00 H new ATOM 165 N PRO A 11 -12.627 3.409 -17.518 1.00 0.00 N ATOM 166 CA PRO A 11 -12.424 4.615 -16.743 1.00 0.00 C ATOM 167 C PRO A 11 -11.354 4.395 -15.682 1.00 0.00 C ATOM 168 O PRO A 11 -11.111 3.292 -15.209 1.00 0.00 O ATOM 169 CB PRO A 11 -13.815 5.033 -16.277 1.00 0.00 C ATOM 170 CG PRO A 11 -14.425 3.667 -16.008 1.00 0.00 C ATOM 171 CD PRO A 11 -13.911 2.833 -17.177 1.00 0.00 C ATOM 0 HA PRO A 11 -12.007 5.454 -17.300 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.785 5.659 -15.385 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -14.360 5.590 -17.039 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -14.103 3.262 -15.049 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.514 3.707 -15.987 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.811 1.784 -16.898 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.598 2.874 -18.022 1.00 0.00 H new ATOM 179 N ALA A 12 -10.677 5.495 -15.318 1.00 0.00 N ATOM 180 CA ALA A 12 -9.536 5.470 -14.423 1.00 0.00 C ATOM 181 C ALA A 12 -9.784 5.837 -12.969 1.00 0.00 C ATOM 182 O ALA A 12 -10.830 6.388 -12.646 1.00 0.00 O ATOM 183 CB ALA A 12 -8.447 6.394 -14.954 1.00 0.00 C ATOM 0 H ALA A 12 -10.918 6.430 -15.646 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.250 4.418 -14.412 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.591 6.373 -14.279 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.137 6.060 -15.944 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.833 7.411 -15.019 1.00 0.00 H new ATOM 189 N PRO A 13 -8.904 5.497 -12.019 1.00 0.00 N ATOM 190 CA PRO A 13 -9.079 5.791 -10.615 1.00 0.00 C ATOM 191 C PRO A 13 -8.841 7.265 -10.326 1.00 0.00 C ATOM 192 O PRO A 13 -8.280 7.908 -11.200 1.00 0.00 O ATOM 193 CB PRO A 13 -8.070 4.842 -9.964 1.00 0.00 C ATOM 194 CG PRO A 13 -7.687 3.832 -11.040 1.00 0.00 C ATOM 195 CD PRO A 13 -7.675 4.775 -12.244 1.00 0.00 C ATOM 0 HA PRO A 13 -10.087 5.634 -10.232 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.194 5.386 -9.611 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.506 4.343 -9.098 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.718 3.367 -10.858 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.414 3.026 -11.141 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.804 5.430 -12.250 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.677 4.238 -13.192 1.00 0.00 H new ATOM 203 N SER A 14 -9.153 7.746 -9.118 1.00 0.00 N ATOM 204 CA SER A 14 -8.857 9.103 -8.694 1.00 0.00 C ATOM 205 C SER A 14 -8.677 9.195 -7.186 1.00 0.00 C ATOM 206 O SER A 14 -8.858 8.233 -6.452 1.00 0.00 O ATOM 207 CB SER A 14 -10.087 9.931 -9.048 1.00 0.00 C ATOM 208 OG SER A 14 -9.736 11.296 -9.077 1.00 0.00 O ATOM 0 H SER A 14 -9.624 7.190 -8.404 1.00 0.00 H new ATOM 0 HA SER A 14 -7.939 9.443 -9.174 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.480 9.624 -10.017 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.877 9.762 -8.316 1.00 0.00 H new ATOM 0 HG SER A 14 -10.524 11.832 -9.306 1.00 0.00 H new ATOM 214 N ALA A 15 -8.278 10.390 -6.733 1.00 0.00 N ATOM 215 CA ALA A 15 -7.883 10.566 -5.359 1.00 0.00 C ATOM 216 C ALA A 15 -9.037 10.443 -4.380 1.00 0.00 C ATOM 217 O ALA A 15 -8.874 9.825 -3.330 1.00 0.00 O ATOM 218 CB ALA A 15 -7.183 11.928 -5.348 1.00 0.00 C ATOM 0 H ALA A 15 -8.225 11.233 -7.304 1.00 0.00 H new ATOM 0 HA ALA A 15 -7.218 9.775 -5.011 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.843 12.154 -4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.327 11.902 -6.022 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.881 12.698 -5.677 1.00 0.00 H new ATOM 224 N GLU A 16 -10.202 10.990 -4.737 1.00 0.00 N ATOM 225 CA GLU A 16 -11.512 10.841 -4.139 1.00 0.00 C ATOM 226 C GLU A 16 -11.946 9.390 -3.975 1.00 0.00 C ATOM 227 O GLU A 16 -12.699 9.030 -3.069 1.00 0.00 O ATOM 228 CB GLU A 16 -12.507 11.594 -5.020 1.00 0.00 C ATOM 229 CG GLU A 16 -12.351 13.106 -4.882 1.00 0.00 C ATOM 230 CD GLU A 16 -12.708 13.652 -3.508 1.00 0.00 C ATOM 231 OE1 GLU A 16 -13.438 12.968 -2.750 1.00 0.00 O ATOM 232 OE2 GLU A 16 -12.144 14.703 -3.147 1.00 0.00 O1- ATOM 0 H GLU A 16 -10.244 11.615 -5.542 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.476 11.249 -3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.361 11.307 -6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.523 11.307 -4.749 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.319 13.375 -5.109 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.979 13.593 -5.628 1.00 0.00 H new ATOM 239 N HIS A 17 -11.520 8.621 -4.991 1.00 0.00 N ATOM 240 CA HIS A 17 -12.030 7.329 -5.365 1.00 0.00 C ATOM 241 C HIS A 17 -10.948 6.256 -5.308 1.00 0.00 C ATOM 242 O HIS A 17 -11.157 5.100 -5.648 1.00 0.00 O ATOM 243 CB HIS A 17 -12.588 7.434 -6.782 1.00 0.00 C ATOM 244 CG HIS A 17 -13.510 8.568 -7.136 1.00 0.00 C ATOM 245 ND1 HIS A 17 -13.436 9.372 -8.245 1.00 0.00 N flip ATOM 246 CD2 HIS A 17 -14.528 9.050 -6.331 1.00 0.00 C flip ATOM 247 CE1 HIS A 17 -14.342 10.409 -8.054 1.00 0.00 C flip ATOM 248 NE2 HIS A 17 -14.898 10.223 -6.857 1.00 0.00 N flip ATOM 0 H HIS A 17 -10.760 8.922 -5.601 1.00 0.00 H new ATOM 0 HA HIS A 17 -12.809 7.035 -4.661 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -11.739 7.479 -7.464 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -13.118 6.505 -6.993 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -14.941 8.574 -5.454 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -14.555 11.212 -8.744 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -15.523 10.888 -6.402 1.00 0.00 H new ATOM 256 N SER A 18 -9.856 6.508 -4.573 1.00 0.00 N ATOM 257 CA SER A 18 -8.891 5.450 -4.348 1.00 0.00 C ATOM 258 C SER A 18 -8.504 5.559 -2.880 1.00 0.00 C ATOM 259 O SER A 18 -8.296 6.649 -2.337 1.00 0.00 O ATOM 260 CB SER A 18 -7.726 5.623 -5.320 1.00 0.00 C ATOM 261 OG SER A 18 -6.986 4.424 -5.312 1.00 0.00 O ATOM 0 H SER A 18 -9.633 7.405 -4.142 1.00 0.00 H new ATOM 0 HA SER A 18 -9.276 4.448 -4.537 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.093 5.840 -6.323 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.099 6.463 -5.021 1.00 0.00 H new ATOM 0 HG SER A 18 -6.160 4.546 -5.824 1.00 0.00 H new ATOM 267 N TYR A 19 -8.422 4.350 -2.321 1.00 0.00 N ATOM 268 CA TYR A 19 -8.277 4.220 -0.894 1.00 0.00 C ATOM 269 C TYR A 19 -7.822 2.812 -0.527 1.00 0.00 C ATOM 270 O TYR A 19 -7.958 1.915 -1.358 1.00 0.00 O ATOM 271 CB TYR A 19 -9.558 4.702 -0.232 1.00 0.00 C ATOM 272 CG TYR A 19 -9.662 6.181 0.065 1.00 0.00 C ATOM 273 CD1 TYR A 19 -10.711 7.005 -0.355 1.00 0.00 C ATOM 274 CD2 TYR A 19 -8.687 6.777 0.871 1.00 0.00 C ATOM 275 CE1 TYR A 19 -10.657 8.371 -0.068 1.00 0.00 C ATOM 276 CE2 TYR A 19 -8.636 8.116 1.280 1.00 0.00 C ATOM 277 CZ TYR A 19 -9.669 8.928 0.757 1.00 0.00 C ATOM 278 OH TYR A 19 -9.693 10.264 0.996 1.00 0.00 O ATOM 0 H TYR A 19 -8.454 3.469 -2.835 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.482 4.857 -0.506 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -10.395 4.425 -0.873 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -9.680 4.159 0.705 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.551 6.591 -0.893 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.888 6.137 1.215 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.404 9.022 -0.497 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.871 8.497 1.940 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.147 10.465 1.784 1.00 0.00 H new ATOM 288 N ALA A 20 -7.142 2.720 0.619 1.00 0.00 N ATOM 289 CA ALA A 20 -6.451 1.542 1.119 1.00 0.00 C ATOM 290 C ALA A 20 -6.514 1.206 2.601 1.00 0.00 C ATOM 291 O ALA A 20 -6.662 2.107 3.433 1.00 0.00 O ATOM 292 CB ALA A 20 -5.022 1.511 0.598 1.00 0.00 C ATOM 0 H ALA A 20 -7.058 3.514 1.254 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.053 0.732 0.708 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.515 0.625 0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.033 1.483 -0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.493 2.403 0.933 1.00 0.00 H new ATOM 298 N GLU A 21 -6.442 -0.077 2.961 1.00 0.00 N ATOM 299 CA GLU A 21 -6.769 -0.654 4.254 1.00 0.00 C ATOM 300 C GLU A 21 -6.072 -1.988 4.473 1.00 0.00 C ATOM 301 O GLU A 21 -5.978 -2.781 3.536 1.00 0.00 O ATOM 302 CB GLU A 21 -8.249 -0.928 4.536 1.00 0.00 C ATOM 303 CG GLU A 21 -9.010 0.274 5.076 1.00 0.00 C ATOM 304 CD GLU A 21 -10.502 0.006 5.198 1.00 0.00 C ATOM 305 OE1 GLU A 21 -11.002 -0.292 6.308 1.00 0.00 O ATOM 306 OE2 GLU A 21 -11.233 0.103 4.191 1.00 0.00 O1- ATOM 0 H GLU A 21 -6.129 -0.789 2.301 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.430 0.134 4.926 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.727 -1.264 3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.326 -1.746 5.253 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.611 0.545 6.053 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.849 1.128 4.418 1.00 0.00 H new ATOM 313 N GLY A 22 -5.463 -2.250 5.633 1.00 0.00 N ATOM 314 CA GLY A 22 -4.822 -3.500 6.010 1.00 0.00 C ATOM 315 C GLY A 22 -3.641 -3.284 6.946 1.00 0.00 C ATOM 316 O GLY A 22 -3.327 -2.149 7.311 1.00 0.00 O ATOM 0 H GLY A 22 -5.404 -1.550 6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.552 -4.149 6.494 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.482 -4.016 5.112 1.00 0.00 H new ATOM 320 N GLU A 23 -3.176 -4.377 7.558 1.00 0.00 N ATOM 321 CA GLU A 23 -2.219 -4.274 8.639 1.00 0.00 C ATOM 322 C GLU A 23 -0.903 -3.703 8.102 1.00 0.00 C ATOM 323 O GLU A 23 -0.190 -3.114 8.906 1.00 0.00 O ATOM 324 CB GLU A 23 -2.059 -5.621 9.331 1.00 0.00 C ATOM 325 CG GLU A 23 -1.672 -5.613 10.811 1.00 0.00 C ATOM 326 CD GLU A 23 -1.706 -7.030 11.361 1.00 0.00 C ATOM 327 OE1 GLU A 23 -2.817 -7.583 11.494 1.00 0.00 O ATOM 328 OE2 GLU A 23 -0.600 -7.614 11.384 1.00 0.00 O1- ATOM 0 H GLU A 23 -3.450 -5.330 7.319 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.578 -3.583 9.401 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.999 -6.164 9.232 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.304 -6.190 8.789 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.675 -5.190 10.933 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.358 -4.979 11.372 1.00 0.00 H new ATOM 335 N GLY A 24 -0.544 -3.707 6.816 1.00 0.00 N ATOM 336 CA GLY A 24 0.570 -2.964 6.265 1.00 0.00 C ATOM 337 C GLY A 24 0.492 -1.451 6.325 1.00 0.00 C ATOM 338 O GLY A 24 1.466 -0.771 5.997 1.00 0.00 O ATOM 0 H GLY A 24 -1.045 -4.250 6.113 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.475 -3.276 6.786 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.687 -3.255 5.221 1.00 0.00 H new ATOM 342 N LEU A 25 -0.560 -0.845 6.870 1.00 0.00 N ATOM 343 CA LEU A 25 -0.737 0.546 7.241 1.00 0.00 C ATOM 344 C LEU A 25 -0.766 0.731 8.758 1.00 0.00 C ATOM 345 O LEU A 25 -1.185 1.816 9.160 1.00 0.00 O ATOM 346 CB LEU A 25 -1.859 1.295 6.530 1.00 0.00 C ATOM 347 CG LEU A 25 -1.766 1.309 5.010 1.00 0.00 C ATOM 348 CD1 LEU A 25 -3.033 1.871 4.364 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.605 2.153 4.490 1.00 0.00 C ATOM 0 H LEU A 25 -1.400 -1.383 7.084 1.00 0.00 H new ATOM 0 HA LEU A 25 0.158 1.037 6.858 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.811 0.848 6.816 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.870 2.325 6.887 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.618 0.263 4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.923 1.862 3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.888 1.258 4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.192 2.894 4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.593 2.123 3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.727 3.184 4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.334 1.756 4.875 1.00 0.00 H new ATOM 361 N VAL A 26 -0.391 -0.214 9.632 1.00 0.00 N ATOM 362 CA VAL A 26 -0.383 -0.211 11.077 1.00 0.00 C ATOM 363 C VAL A 26 0.944 -0.696 11.641 1.00 0.00 C ATOM 364 O VAL A 26 1.512 0.006 12.484 1.00 0.00 O ATOM 365 CB VAL A 26 -1.563 -0.973 11.669 1.00 0.00 C ATOM 366 CG1 VAL A 26 -1.747 -0.707 13.156 1.00 0.00 C ATOM 367 CG2 VAL A 26 -2.876 -0.581 11.003 1.00 0.00 C ATOM 0 H VAL A 26 -0.044 -1.107 9.282 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.500 0.829 11.382 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.328 -2.024 11.498 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.601 -1.275 13.524 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.849 -1.012 13.694 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.923 0.357 13.316 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.694 -1.145 11.451 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.051 0.486 11.143 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.824 -0.803 9.937 1.00 0.00 H new ATOM 377 N LYS A 27 1.444 -1.872 11.249 1.00 0.00 N ATOM 378 CA LYS A 27 2.430 -2.618 12.000 1.00 0.00 C ATOM 379 C LYS A 27 3.052 -3.618 11.031 1.00 0.00 C ATOM 380 O LYS A 27 2.354 -4.423 10.422 1.00 0.00 O ATOM 381 CB LYS A 27 1.865 -3.272 13.259 1.00 0.00 C ATOM 382 CG LYS A 27 0.899 -4.443 13.141 1.00 0.00 C ATOM 383 CD LYS A 27 0.502 -5.007 14.504 1.00 0.00 C ATOM 384 CE LYS A 27 -0.775 -5.850 14.506 1.00 0.00 C ATOM 385 NZ LYS A 27 -1.090 -6.296 15.865 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.162 -2.331 10.383 1.00 0.00 H new ATOM 0 HA LYS A 27 3.193 -1.945 12.391 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.712 -3.609 13.857 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.361 -2.493 13.831 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.004 -4.120 12.609 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.358 -5.231 12.544 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.323 -5.617 14.882 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.374 -4.178 15.200 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.604 -5.266 14.107 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.649 -6.714 13.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.959 -6.867 15.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.305 -6.870 16.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.230 -5.468 16.478 1.00 0.00 H new ATOM 399 N VAL A 28 4.383 -3.577 10.937 1.00 0.00 N ATOM 400 CA VAL A 28 5.267 -4.348 10.087 1.00 0.00 C ATOM 401 C VAL A 28 6.487 -4.796 10.879 1.00 0.00 C ATOM 402 O VAL A 28 6.915 -4.111 11.803 1.00 0.00 O ATOM 403 CB VAL A 28 5.750 -3.562 8.868 1.00 0.00 C ATOM 404 CG1 VAL A 28 6.364 -4.405 7.765 1.00 0.00 C ATOM 405 CG2 VAL A 28 4.674 -2.620 8.318 1.00 0.00 C ATOM 0 H VAL A 28 4.915 -2.931 11.520 1.00 0.00 H new ATOM 0 HA VAL A 28 4.690 -5.203 9.735 1.00 0.00 H new ATOM 0 HB VAL A 28 6.569 -2.955 9.253 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.676 -3.759 6.944 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.230 -4.940 8.155 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.628 -5.122 7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.066 -2.085 7.453 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.800 -3.200 8.020 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.389 -1.904 9.089 1.00 0.00 H new ATOM 415 N PHE A 29 7.158 -5.885 10.470 1.00 0.00 N ATOM 416 CA PHE A 29 8.306 -6.465 11.133 1.00 0.00 C ATOM 417 C PHE A 29 9.442 -6.752 10.155 1.00 0.00 C ATOM 418 O PHE A 29 9.415 -6.448 8.960 1.00 0.00 O ATOM 419 CB PHE A 29 7.843 -7.691 11.914 1.00 0.00 C ATOM 420 CG PHE A 29 6.576 -7.447 12.690 1.00 0.00 C ATOM 421 CD1 PHE A 29 6.667 -7.108 14.044 1.00 0.00 C ATOM 422 CD2 PHE A 29 5.291 -7.593 12.142 1.00 0.00 C ATOM 423 CE1 PHE A 29 5.493 -6.826 14.765 1.00 0.00 C ATOM 424 CE2 PHE A 29 4.128 -7.351 12.873 1.00 0.00 C ATOM 425 CZ PHE A 29 4.208 -6.962 14.217 1.00 0.00 C ATOM 0 H PHE A 29 6.892 -6.398 9.629 1.00 0.00 H new ATOM 0 HA PHE A 29 8.731 -5.753 11.840 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.686 -8.518 11.222 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.631 -7.996 12.602 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.630 -7.063 14.531 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.200 -7.906 11.112 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.584 -6.489 15.787 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.163 -7.464 12.402 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.321 -6.775 14.804 1.00 0.00 H new ATOM 435 N ASP A 30 10.526 -7.354 10.657 1.00 0.00 N ATOM 436 CA ASP A 30 11.724 -7.588 9.881 1.00 0.00 C ATOM 437 C ASP A 30 11.607 -8.923 9.157 1.00 0.00 C ATOM 438 O ASP A 30 11.835 -9.013 7.953 1.00 0.00 O ATOM 439 CB ASP A 30 12.931 -7.432 10.803 1.00 0.00 C ATOM 440 CG ASP A 30 14.276 -7.356 10.100 1.00 0.00 C ATOM 441 OD1 ASP A 30 15.290 -7.402 10.823 1.00 0.00 O ATOM 442 OD2 ASP A 30 14.453 -7.226 8.869 1.00 0.00 O1- ATOM 0 H ASP A 30 10.586 -7.690 11.618 1.00 0.00 H new ATOM 0 HA ASP A 30 11.861 -6.855 9.086 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.799 -6.529 11.399 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.949 -8.272 11.497 1.00 0.00 H new ATOM 447 N ASN A 31 11.180 -9.910 9.947 1.00 0.00 N ATOM 448 CA ASN A 31 10.925 -11.248 9.456 1.00 0.00 C ATOM 449 C ASN A 31 9.472 -11.701 9.384 1.00 0.00 C ATOM 450 O ASN A 31 9.070 -12.841 9.174 1.00 0.00 O ATOM 451 CB ASN A 31 11.676 -12.238 10.348 1.00 0.00 C ATOM 452 CG ASN A 31 13.178 -11.988 10.296 1.00 0.00 C ATOM 453 OD1 ASN A 31 13.836 -12.468 9.381 1.00 0.00 O ATOM 454 ND2 ASN A 31 13.689 -11.420 11.382 1.00 0.00 N ATOM 0 H ASN A 31 11.004 -9.795 10.945 1.00 0.00 H new ATOM 0 HA ASN A 31 11.264 -11.224 8.420 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.324 -12.147 11.376 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.462 -13.257 10.027 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.701 -11.360 11.498 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.070 -11.043 12.100 1.00 0.00 H new ATOM 461 N ALA A 32 8.535 -10.783 9.644 1.00 0.00 N ATOM 462 CA ALA A 32 7.143 -11.012 9.346 1.00 0.00 C ATOM 463 C ALA A 32 6.825 -9.838 8.417 1.00 0.00 C ATOM 464 O ALA A 32 6.571 -8.715 8.835 1.00 0.00 O ATOM 465 CB ALA A 32 6.362 -11.072 10.653 1.00 0.00 C ATOM 0 H ALA A 32 8.731 -9.874 10.063 1.00 0.00 H new ATOM 0 HA ALA A 32 6.883 -11.953 8.861 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.307 -11.245 10.439 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.745 -11.885 11.269 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.474 -10.129 11.187 1.00 0.00 H new ATOM 471 N PRO A 33 6.780 -9.998 7.083 1.00 0.00 N ATOM 472 CA PRO A 33 6.210 -9.021 6.175 1.00 0.00 C ATOM 473 C PRO A 33 4.720 -8.776 6.398 1.00 0.00 C ATOM 474 O PRO A 33 4.040 -9.625 6.959 1.00 0.00 O ATOM 475 CB PRO A 33 6.616 -9.488 4.782 1.00 0.00 C ATOM 476 CG PRO A 33 6.675 -11.017 4.876 1.00 0.00 C ATOM 477 CD PRO A 33 7.194 -11.142 6.299 1.00 0.00 C ATOM 0 HA PRO A 33 6.598 -8.017 6.349 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.893 -9.167 4.032 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.582 -9.073 4.493 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.701 -11.486 4.739 1.00 0.00 H new ATOM 0 HG3 PRO A 33 7.348 -11.459 4.141 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.817 -12.059 6.752 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.282 -11.214 6.292 1.00 0.00 H new ATOM 485 N ALA A 34 4.210 -7.619 5.963 1.00 0.00 N ATOM 486 CA ALA A 34 2.846 -7.148 6.121 1.00 0.00 C ATOM 487 C ALA A 34 2.186 -6.809 4.805 1.00 0.00 C ATOM 488 O ALA A 34 2.887 -6.520 3.828 1.00 0.00 O ATOM 489 CB ALA A 34 2.891 -5.947 7.060 1.00 0.00 C ATOM 0 H ALA A 34 4.786 -6.946 5.457 1.00 0.00 H new ATOM 0 HA ALA A 34 2.231 -7.943 6.542 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.882 -5.561 7.206 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.305 -6.252 8.021 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.518 -5.168 6.625 1.00 0.00 H new ATOM 495 N GLU A 35 0.856 -6.894 4.708 1.00 0.00 N ATOM 496 CA GLU A 35 0.115 -6.683 3.477 1.00 0.00 C ATOM 497 C GLU A 35 -0.974 -5.652 3.726 1.00 0.00 C ATOM 498 O GLU A 35 -1.360 -5.421 4.869 1.00 0.00 O ATOM 499 CB GLU A 35 -0.448 -8.026 3.021 1.00 0.00 C ATOM 500 CG GLU A 35 0.609 -8.896 2.329 1.00 0.00 C ATOM 501 CD GLU A 35 -0.007 -10.199 1.850 1.00 0.00 C ATOM 502 OE1 GLU A 35 0.224 -11.279 2.445 1.00 0.00 O ATOM 503 OE2 GLU A 35 -0.758 -10.212 0.858 1.00 0.00 O1- ATOM 0 H GLU A 35 0.259 -7.117 5.504 1.00 0.00 H new ATOM 0 HA GLU A 35 0.755 -6.297 2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.848 -8.561 3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.279 -7.855 2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.036 -8.356 1.484 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.426 -9.105 3.020 1.00 0.00 H new ATOM 510 N PHE A 36 -1.419 -4.960 2.674 1.00 0.00 N ATOM 511 CA PHE A 36 -2.435 -3.936 2.730 1.00 0.00 C ATOM 512 C PHE A 36 -2.943 -3.761 1.305 1.00 0.00 C ATOM 513 O PHE A 36 -2.241 -4.053 0.329 1.00 0.00 O ATOM 514 CB PHE A 36 -1.954 -2.695 3.473 1.00 0.00 C ATOM 515 CG PHE A 36 -0.766 -2.045 2.811 1.00 0.00 C ATOM 516 CD1 PHE A 36 -1.007 -0.784 2.264 1.00 0.00 C ATOM 517 CD2 PHE A 36 0.581 -2.398 3.007 1.00 0.00 C ATOM 518 CE1 PHE A 36 0.055 0.086 1.960 1.00 0.00 C ATOM 519 CE2 PHE A 36 1.647 -1.527 2.732 1.00 0.00 C ATOM 520 CZ PHE A 36 1.380 -0.255 2.219 1.00 0.00 C ATOM 0 H PHE A 36 -1.061 -5.112 1.731 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.295 -4.211 3.341 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.770 -1.975 3.535 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.691 -2.967 4.495 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.023 -0.472 2.072 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.806 -3.384 3.386 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.163 1.045 1.513 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.665 -1.837 2.915 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.180 0.445 2.028 1.00 0.00 H new ATOM 530 N THR A 37 -4.168 -3.280 1.099 1.00 0.00 N ATOM 531 CA THR A 37 -4.953 -3.387 -0.118 1.00 0.00 C ATOM 532 C THR A 37 -5.362 -2.002 -0.583 1.00 0.00 C ATOM 533 O THR A 37 -6.200 -1.347 0.041 1.00 0.00 O ATOM 534 CB THR A 37 -6.101 -4.358 0.089 1.00 0.00 C ATOM 535 OG1 THR A 37 -5.572 -5.617 0.463 1.00 0.00 O ATOM 536 CG2 THR A 37 -6.867 -4.677 -1.187 1.00 0.00 C ATOM 0 H THR A 37 -4.667 -2.772 1.830 1.00 0.00 H new ATOM 0 HA THR A 37 -4.362 -3.809 -0.931 1.00 0.00 H new ATOM 0 HB THR A 37 -6.750 -3.883 0.825 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.305 -6.252 0.601 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.672 -5.377 -0.963 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.288 -3.759 -1.598 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.190 -5.124 -1.915 1.00 0.00 H new ATOM 544 N ILE A 38 -4.936 -1.635 -1.795 1.00 0.00 N ATOM 545 CA ILE A 38 -5.452 -0.515 -2.552 1.00 0.00 C ATOM 546 C ILE A 38 -6.761 -0.864 -3.243 1.00 0.00 C ATOM 547 O ILE A 38 -6.757 -1.744 -4.095 1.00 0.00 O ATOM 548 CB ILE A 38 -4.522 0.201 -3.531 1.00 0.00 C ATOM 549 CG1 ILE A 38 -3.176 0.449 -2.853 1.00 0.00 C ATOM 550 CG2 ILE A 38 -5.203 1.437 -4.114 1.00 0.00 C ATOM 551 CD1 ILE A 38 -2.176 1.135 -3.771 1.00 0.00 C ATOM 0 H ILE A 38 -4.194 -2.135 -2.285 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.596 0.223 -1.763 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.308 -0.421 -4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.328 1.062 -1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.762 -0.502 -2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.525 1.933 -4.808 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.109 1.138 -4.642 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.463 2.124 -3.308 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.237 1.287 -3.238 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.999 0.511 -4.647 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.574 2.099 -4.087 1.00 0.00 H new ATOM 563 N PHE A 39 -7.911 -0.417 -2.721 1.00 0.00 N ATOM 564 CA PHE A 39 -9.198 -0.395 -3.373 1.00 0.00 C ATOM 565 C PHE A 39 -9.410 0.817 -4.277 1.00 0.00 C ATOM 566 O PHE A 39 -9.279 1.956 -3.845 1.00 0.00 O ATOM 567 CB PHE A 39 -10.377 -0.780 -2.475 1.00 0.00 C ATOM 568 CG PHE A 39 -10.511 0.129 -1.272 1.00 0.00 C ATOM 569 CD1 PHE A 39 -11.418 1.191 -1.303 1.00 0.00 C ATOM 570 CD2 PHE A 39 -9.711 -0.045 -0.132 1.00 0.00 C ATOM 571 CE1 PHE A 39 -11.552 1.979 -0.158 1.00 0.00 C ATOM 572 CE2 PHE A 39 -9.813 0.841 0.946 1.00 0.00 C ATOM 573 CZ PHE A 39 -10.846 1.777 1.037 1.00 0.00 C ATOM 0 H PHE A 39 -7.955 -0.041 -1.774 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.171 -1.227 -4.077 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -11.298 -0.746 -3.056 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.251 -1.809 -2.137 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.000 1.397 -2.189 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.013 -0.868 -0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -12.249 2.803 -0.195 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.072 0.800 1.730 1.00 0.00 H new ATOM 0 HZ PHE A 39 -11.081 2.301 1.951 1.00 0.00 H new ATOM 583 N ALA A 40 -9.740 0.603 -5.548 1.00 0.00 N ATOM 584 CA ALA A 40 -9.970 1.685 -6.488 1.00 0.00 C ATOM 585 C ALA A 40 -11.462 1.697 -6.806 1.00 0.00 C ATOM 586 O ALA A 40 -12.017 0.618 -7.026 1.00 0.00 O ATOM 587 CB ALA A 40 -9.023 1.446 -7.662 1.00 0.00 C ATOM 0 H ALA A 40 -9.854 -0.327 -5.951 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.747 2.686 -6.119 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.155 2.235 -8.402 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.993 1.452 -7.306 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.244 0.481 -8.117 1.00 0.00 H new ATOM 593 N VAL A 41 -11.960 2.908 -7.032 1.00 0.00 N ATOM 594 CA VAL A 41 -13.200 3.169 -7.736 1.00 0.00 C ATOM 595 C VAL A 41 -12.882 4.221 -8.795 1.00 0.00 C ATOM 596 O VAL A 41 -12.005 5.073 -8.627 1.00 0.00 O ATOM 597 CB VAL A 41 -14.143 3.774 -6.711 1.00 0.00 C ATOM 598 CG1 VAL A 41 -15.357 4.580 -7.158 1.00 0.00 C ATOM 599 CG2 VAL A 41 -14.600 2.723 -5.703 1.00 0.00 C ATOM 0 H VAL A 41 -11.493 3.759 -6.718 1.00 0.00 H new ATOM 0 HA VAL A 41 -13.634 2.280 -8.193 1.00 0.00 H new ATOM 0 HB VAL A 41 -13.492 4.539 -6.289 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -15.905 4.928 -6.282 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -15.028 5.438 -7.744 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -16.007 3.952 -7.767 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -15.274 3.182 -4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -15.120 1.920 -6.225 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.733 2.316 -5.183 1.00 0.00 H new ATOM 609 N ASP A 42 -13.414 4.110 -10.009 1.00 0.00 N ATOM 610 CA ASP A 42 -13.224 5.053 -11.097 1.00 0.00 C ATOM 611 C ASP A 42 -13.866 6.399 -10.799 1.00 0.00 C ATOM 612 O ASP A 42 -13.206 7.438 -10.897 1.00 0.00 O ATOM 613 CB ASP A 42 -13.673 4.558 -12.467 1.00 0.00 C ATOM 614 CG ASP A 42 -15.108 4.083 -12.622 1.00 0.00 C ATOM 615 OD1 ASP A 42 -15.369 2.892 -12.336 1.00 0.00 O ATOM 616 OD2 ASP A 42 -15.945 4.967 -12.912 1.00 0.00 O1- ATOM 0 H ASP A 42 -14.014 3.326 -10.268 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.142 5.167 -11.156 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -13.510 5.364 -13.183 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -13.017 3.737 -12.756 1.00 0.00 H new ATOM 621 N THR A 43 -15.141 6.384 -10.391 1.00 0.00 N ATOM 622 CA THR A 43 -15.934 7.596 -10.351 1.00 0.00 C ATOM 623 C THR A 43 -16.966 7.545 -9.239 1.00 0.00 C ATOM 624 O THR A 43 -16.877 8.423 -8.381 1.00 0.00 O ATOM 625 CB THR A 43 -16.612 7.995 -11.655 1.00 0.00 C ATOM 626 OG1 THR A 43 -17.428 6.916 -12.070 1.00 0.00 O ATOM 627 CG2 THR A 43 -15.730 8.488 -12.805 1.00 0.00 C ATOM 0 H THR A 43 -15.634 5.545 -10.087 1.00 0.00 H new ATOM 0 HA THR A 43 -15.195 8.374 -10.158 1.00 0.00 H new ATOM 0 HB THR A 43 -17.181 8.893 -11.414 1.00 0.00 H new ATOM 0 HG1 THR A 43 -16.892 6.281 -12.589 1.00 0.00 H new ATOM 0 HG21 THR A 43 -16.355 8.734 -13.663 1.00 0.00 H new ATOM 0 HG22 THR A 43 -15.183 9.376 -12.489 1.00 0.00 H new ATOM 0 HG23 THR A 43 -15.023 7.706 -13.083 1.00 0.00 H new ATOM 635 N LYS A 44 -17.914 6.608 -9.193 1.00 0.00 N ATOM 636 CA LYS A 44 -18.938 6.544 -8.163 1.00 0.00 C ATOM 637 C LYS A 44 -19.169 5.150 -7.584 1.00 0.00 C ATOM 638 O LYS A 44 -19.752 4.272 -8.229 1.00 0.00 O ATOM 639 CB LYS A 44 -20.234 7.108 -8.734 1.00 0.00 C ATOM 640 CG LYS A 44 -21.288 7.426 -7.677 1.00 0.00 C ATOM 641 CD LYS A 44 -22.600 7.919 -8.274 1.00 0.00 C ATOM 642 CE LYS A 44 -22.477 8.912 -9.415 1.00 0.00 C ATOM 643 NZ LYS A 44 -23.531 9.946 -9.414 1.00 0.00 N1+ ATOM 0 H LYS A 44 -17.988 5.862 -9.885 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.583 7.140 -7.322 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -20.008 8.016 -9.293 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -20.649 6.392 -9.443 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -21.479 6.533 -7.082 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -20.897 8.184 -6.998 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -23.163 7.055 -8.629 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -23.188 8.379 -7.480 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -21.503 9.398 -9.360 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -22.510 8.372 -10.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -23.387 10.589 -10.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -24.463 9.492 -9.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -23.487 10.486 -8.526 1.00 0.00 H new ATOM 657 N GLY A 45 -18.628 4.869 -6.404 1.00 0.00 N ATOM 658 CA GLY A 45 -19.041 3.753 -5.573 1.00 0.00 C ATOM 659 C GLY A 45 -18.512 2.406 -6.026 1.00 0.00 C ATOM 660 O GLY A 45 -17.918 1.645 -5.258 1.00 0.00 O ATOM 0 H GLY A 45 -17.876 5.423 -5.994 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.710 3.935 -4.551 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -20.130 3.714 -5.553 1.00 0.00 H new ATOM 664 N VAL A 46 -18.964 1.975 -7.205 1.00 0.00 N ATOM 665 CA VAL A 46 -18.642 0.744 -7.913 1.00 0.00 C ATOM 666 C VAL A 46 -17.149 0.728 -8.211 1.00 0.00 C ATOM 667 O VAL A 46 -16.584 1.689 -8.738 1.00 0.00 O ATOM 668 CB VAL A 46 -19.603 0.560 -9.083 1.00 0.00 C ATOM 669 CG1 VAL A 46 -19.402 -0.750 -9.844 1.00 0.00 C ATOM 670 CG2 VAL A 46 -21.026 0.370 -8.559 1.00 0.00 C ATOM 0 H VAL A 46 -19.629 2.537 -7.736 1.00 0.00 H new ATOM 0 HA VAL A 46 -18.804 -0.153 -7.315 1.00 0.00 H new ATOM 0 HB VAL A 46 -19.430 1.437 -9.707 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -20.121 -0.810 -10.661 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.390 -0.785 -10.248 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -19.552 -1.591 -9.167 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.708 0.239 -9.399 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -21.064 -0.512 -7.920 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -21.322 1.247 -7.984 1.00 0.00 H new ATOM 680 N ALA A 47 -16.505 -0.350 -7.757 1.00 0.00 N ATOM 681 CA ALA A 47 -15.085 -0.534 -7.981 1.00 0.00 C ATOM 682 C ALA A 47 -14.687 -0.362 -9.437 1.00 0.00 C ATOM 683 O ALA A 47 -15.463 -0.444 -10.383 1.00 0.00 O ATOM 684 CB ALA A 47 -14.776 -1.905 -7.370 1.00 0.00 C ATOM 0 H ALA A 47 -16.951 -1.103 -7.234 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.478 0.236 -7.504 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.716 -2.128 -7.495 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.022 -1.894 -6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -15.369 -2.669 -7.872 1.00 0.00 H new ATOM 690 N ARG A 48 -13.353 -0.291 -9.512 1.00 0.00 N ATOM 691 CA ARG A 48 -12.713 -0.478 -10.793 1.00 0.00 C ATOM 692 C ARG A 48 -13.201 -1.795 -11.362 1.00 0.00 C ATOM 693 O ARG A 48 -12.851 -2.859 -10.845 1.00 0.00 O ATOM 694 CB ARG A 48 -11.183 -0.388 -10.776 1.00 0.00 C ATOM 695 CG ARG A 48 -10.604 1.024 -10.839 1.00 0.00 C ATOM 696 CD ARG A 48 -10.786 1.736 -12.172 1.00 0.00 C ATOM 697 NE ARG A 48 -9.878 1.370 -13.257 1.00 0.00 N ATOM 698 CZ ARG A 48 -10.206 0.620 -14.315 1.00 0.00 C ATOM 699 NH1 ARG A 48 -11.452 0.248 -14.641 1.00 0.00 N1+ ATOM 700 NH2 ARG A 48 -9.205 0.081 -15.016 1.00 0.00 N ATOM 0 H ARG A 48 -12.727 -0.112 -8.727 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.999 0.356 -11.434 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.819 -0.871 -9.869 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.794 -0.959 -11.619 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.067 1.625 -10.057 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.539 0.974 -10.614 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.806 1.559 -12.512 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -10.689 2.808 -11.998 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.919 1.713 -13.203 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.239 0.540 -14.062 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.613 -0.327 -15.468 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.238 0.249 -14.737 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.407 -0.498 -15.831 1.00 0.00 H new ATOM 714 N THR A 49 -13.744 -1.836 -12.586 1.00 0.00 N ATOM 715 CA THR A 49 -14.403 -2.905 -13.317 1.00 0.00 C ATOM 716 C THR A 49 -13.395 -3.872 -13.919 1.00 0.00 C ATOM 717 O THR A 49 -13.789 -4.975 -14.283 1.00 0.00 O ATOM 718 CB THR A 49 -15.312 -2.256 -14.360 1.00 0.00 C ATOM 719 OG1 THR A 49 -14.529 -1.270 -14.990 1.00 0.00 O ATOM 720 CG2 THR A 49 -16.507 -1.595 -13.684 1.00 0.00 C ATOM 0 H THR A 49 -13.722 -0.993 -13.160 1.00 0.00 H new ATOM 0 HA THR A 49 -15.010 -3.515 -12.648 1.00 0.00 H new ATOM 0 HB THR A 49 -15.693 -2.994 -15.066 1.00 0.00 H new ATOM 0 HG1 THR A 49 -13.803 -1.699 -15.490 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.145 -1.137 -14.440 1.00 0.00 H new ATOM 0 HG22 THR A 49 -17.076 -2.346 -13.135 1.00 0.00 H new ATOM 0 HG23 THR A 49 -16.156 -0.829 -12.993 1.00 0.00 H new ATOM 728 N ASP A 50 -12.157 -3.380 -14.008 1.00 0.00 N ATOM 729 CA ASP A 50 -11.023 -4.117 -14.542 1.00 0.00 C ATOM 730 C ASP A 50 -9.766 -3.588 -13.877 1.00 0.00 C ATOM 731 O ASP A 50 -9.809 -2.581 -13.174 1.00 0.00 O ATOM 732 CB ASP A 50 -11.047 -3.890 -16.049 1.00 0.00 C ATOM 733 CG ASP A 50 -11.153 -2.428 -16.459 1.00 0.00 C ATOM 734 OD1 ASP A 50 -10.090 -1.796 -16.657 1.00 0.00 O ATOM 735 OD2 ASP A 50 -12.266 -1.876 -16.601 1.00 0.00 O1- ATOM 0 H ASP A 50 -11.916 -2.437 -13.703 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.058 -5.189 -14.347 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.141 -4.312 -16.483 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.889 -4.437 -16.474 1.00 0.00 H new ATOM 740 N GLY A 51 -8.629 -4.256 -14.049 1.00 0.00 N ATOM 741 CA GLY A 51 -7.412 -4.035 -13.281 1.00 0.00 C ATOM 742 C GLY A 51 -6.332 -3.235 -14.001 1.00 0.00 C ATOM 743 O GLY A 51 -6.650 -2.327 -14.762 1.00 0.00 O ATOM 0 H GLY A 51 -8.528 -4.990 -14.750 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.672 -3.517 -12.358 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.998 -5.003 -12.998 1.00 0.00 H new ATOM 747 N GLY A 52 -5.049 -3.557 -13.827 1.00 0.00 N ATOM 748 CA GLY A 52 -3.960 -3.090 -14.663 1.00 0.00 C ATOM 749 C GLY A 52 -3.573 -1.632 -14.527 1.00 0.00 C ATOM 750 O GLY A 52 -2.729 -1.200 -15.306 1.00 0.00 O ATOM 0 H GLY A 52 -4.737 -4.170 -13.074 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.081 -3.697 -14.446 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.227 -3.275 -15.704 1.00 0.00 H new ATOM 754 N ASP A 53 -4.143 -0.863 -13.601 1.00 0.00 N ATOM 755 CA ASP A 53 -3.759 0.534 -13.545 1.00 0.00 C ATOM 756 C ASP A 53 -2.407 0.831 -12.899 1.00 0.00 C ATOM 757 O ASP A 53 -2.191 0.252 -11.837 1.00 0.00 O ATOM 758 CB ASP A 53 -4.891 1.352 -12.942 1.00 0.00 C ATOM 759 CG ASP A 53 -6.259 1.275 -13.590 1.00 0.00 C ATOM 760 OD1 ASP A 53 -6.350 1.730 -14.748 1.00 0.00 O ATOM 761 OD2 ASP A 53 -7.232 0.771 -12.993 1.00 0.00 O1- ATOM 0 H ASP A 53 -4.835 -1.167 -12.916 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.595 0.840 -14.578 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.000 1.051 -11.900 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.582 2.397 -12.942 1.00 0.00 H new ATOM 766 N PRO A 54 -1.559 1.781 -13.295 1.00 0.00 N ATOM 767 CA PRO A 54 -0.263 1.949 -12.668 1.00 0.00 C ATOM 768 C PRO A 54 -0.245 2.758 -11.384 1.00 0.00 C ATOM 769 O PRO A 54 -0.873 3.800 -11.233 1.00 0.00 O ATOM 770 CB PRO A 54 0.648 2.502 -13.763 1.00 0.00 C ATOM 771 CG PRO A 54 -0.387 3.349 -14.509 1.00 0.00 C ATOM 772 CD PRO A 54 -1.749 2.679 -14.418 1.00 0.00 C ATOM 0 HA PRO A 54 0.090 0.988 -12.294 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.474 3.093 -13.368 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.084 1.721 -14.386 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.432 4.350 -14.079 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.095 3.464 -15.553 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.548 3.398 -14.237 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.004 2.143 -15.332 1.00 0.00 H new ATOM 780 N PHE A 55 0.359 2.143 -10.357 1.00 0.00 N ATOM 781 CA PHE A 55 0.342 2.655 -9.001 1.00 0.00 C ATOM 782 C PHE A 55 1.700 2.512 -8.337 1.00 0.00 C ATOM 783 O PHE A 55 2.402 1.536 -8.611 1.00 0.00 O ATOM 784 CB PHE A 55 -0.674 2.019 -8.061 1.00 0.00 C ATOM 785 CG PHE A 55 -2.038 2.658 -7.997 1.00 0.00 C ATOM 786 CD1 PHE A 55 -2.478 3.448 -6.939 1.00 0.00 C ATOM 787 CD2 PHE A 55 -2.852 2.433 -9.117 1.00 0.00 C ATOM 788 CE1 PHE A 55 -3.820 3.866 -6.903 1.00 0.00 C ATOM 789 CE2 PHE A 55 -4.178 2.872 -9.044 1.00 0.00 C ATOM 790 CZ PHE A 55 -4.679 3.633 -7.986 1.00 0.00 C ATOM 0 H PHE A 55 0.875 1.269 -10.457 1.00 0.00 H new ATOM 0 HA PHE A 55 0.054 3.696 -9.144 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.801 0.977 -8.354 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.252 2.018 -7.056 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.795 3.737 -6.154 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.471 1.941 -9.999 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.195 4.375 -6.027 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.849 2.609 -9.848 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.685 4.025 -8.001 1.00 0.00 H new ATOM 800 N GLU A 56 1.960 3.253 -7.258 1.00 0.00 N ATOM 801 CA GLU A 56 3.155 3.096 -6.458 1.00 0.00 C ATOM 802 C GLU A 56 2.969 3.532 -5.005 1.00 0.00 C ATOM 803 O GLU A 56 2.150 4.380 -4.681 1.00 0.00 O ATOM 804 CB GLU A 56 4.264 3.846 -7.181 1.00 0.00 C ATOM 805 CG GLU A 56 5.619 3.934 -6.491 1.00 0.00 C ATOM 806 CD GLU A 56 6.621 4.650 -7.400 1.00 0.00 C ATOM 807 OE1 GLU A 56 7.174 4.012 -8.317 1.00 0.00 O ATOM 808 OE2 GLU A 56 6.825 5.863 -7.172 1.00 0.00 O1- ATOM 0 H GLU A 56 1.334 3.984 -6.920 1.00 0.00 H new ATOM 0 HA GLU A 56 3.415 2.042 -6.366 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.411 3.374 -8.152 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.916 4.862 -7.369 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.522 4.471 -5.548 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.981 2.934 -6.253 1.00 0.00 H new ATOM 815 N VAL A 57 3.737 2.922 -4.104 1.00 0.00 N ATOM 816 CA VAL A 57 3.706 2.985 -2.655 1.00 0.00 C ATOM 817 C VAL A 57 5.162 3.186 -2.255 1.00 0.00 C ATOM 818 O VAL A 57 5.925 2.239 -2.114 1.00 0.00 O ATOM 819 CB VAL A 57 3.178 1.686 -2.036 1.00 0.00 C ATOM 820 CG1 VAL A 57 3.107 1.801 -0.522 1.00 0.00 C ATOM 821 CG2 VAL A 57 1.775 1.392 -2.553 1.00 0.00 C ATOM 0 H VAL A 57 4.482 2.299 -4.416 1.00 0.00 H new ATOM 0 HA VAL A 57 3.044 3.779 -2.307 1.00 0.00 H new ATOM 0 HB VAL A 57 3.862 0.884 -2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.730 0.868 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.102 2.000 -0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.438 2.617 -0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.409 0.467 -2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.109 2.212 -2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.802 1.286 -3.638 1.00 0.00 H new ATOM 831 N ALA A 58 5.466 4.448 -1.972 1.00 0.00 N ATOM 832 CA ALA A 58 6.828 4.906 -1.765 1.00 0.00 C ATOM 833 C ALA A 58 7.014 5.614 -0.422 1.00 0.00 C ATOM 834 O ALA A 58 6.071 6.090 0.200 1.00 0.00 O ATOM 835 CB ALA A 58 7.182 5.764 -2.967 1.00 0.00 C ATOM 0 H ALA A 58 4.766 5.184 -1.880 1.00 0.00 H new ATOM 0 HA ALA A 58 7.517 4.064 -1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.201 6.136 -2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.106 5.167 -3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.493 6.607 -3.028 1.00 0.00 H new ATOM 841 N ILE A 59 8.143 5.314 0.218 1.00 0.00 N ATOM 842 CA ILE A 59 8.192 5.276 1.667 1.00 0.00 C ATOM 843 C ILE A 59 9.499 5.919 2.110 1.00 0.00 C ATOM 844 O ILE A 59 10.614 5.420 1.908 1.00 0.00 O ATOM 845 CB ILE A 59 8.053 3.881 2.262 1.00 0.00 C ATOM 846 CG1 ILE A 59 7.014 2.921 1.686 1.00 0.00 C ATOM 847 CG2 ILE A 59 7.921 3.957 3.776 1.00 0.00 C ATOM 848 CD1 ILE A 59 6.789 1.579 2.373 1.00 0.00 C ATOM 0 H ILE A 59 9.026 5.096 -0.245 1.00 0.00 H new ATOM 0 HA ILE A 59 7.329 5.826 2.041 1.00 0.00 H new ATOM 0 HB ILE A 59 8.987 3.415 1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.058 3.444 1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.290 2.719 0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.823 2.951 4.184 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.807 4.433 4.195 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.038 4.541 4.035 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.020 1.021 1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.718 1.009 2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.467 1.746 3.401 1.00 0.00 H new ATOM 860 N ASN A 60 9.418 7.047 2.816 1.00 0.00 N ATOM 861 CA ASN A 60 10.540 7.727 3.437 1.00 0.00 C ATOM 862 C ASN A 60 10.703 7.136 4.831 1.00 0.00 C ATOM 863 O ASN A 60 9.702 6.834 5.488 1.00 0.00 O ATOM 864 CB ASN A 60 10.217 9.222 3.483 1.00 0.00 C ATOM 865 CG ASN A 60 10.313 9.891 2.121 1.00 0.00 C ATOM 866 OD1 ASN A 60 11.053 9.540 1.202 1.00 0.00 O ATOM 867 ND2 ASN A 60 9.666 11.045 1.919 1.00 0.00 N ATOM 0 H ASN A 60 8.531 7.526 2.973 1.00 0.00 H new ATOM 0 HA ASN A 60 11.472 7.599 2.887 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.211 9.359 3.879 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.901 9.715 4.173 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.806 11.563 1.052 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.033 11.406 2.632 1.00 0.00 H new ATOM 874 N GLY A 61 11.918 6.881 5.296 1.00 0.00 N ATOM 875 CA GLY A 61 12.316 6.092 6.447 1.00 0.00 C ATOM 876 C GLY A 61 13.495 6.703 7.192 1.00 0.00 C ATOM 877 O GLY A 61 14.124 7.634 6.687 1.00 0.00 O ATOM 0 H GLY A 61 12.735 7.265 4.822 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.470 5.996 7.128 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.578 5.086 6.121 1.00 0.00 H new ATOM 881 N PRO A 62 13.907 6.184 8.346 1.00 0.00 N ATOM 882 CA PRO A 62 15.128 6.545 9.060 1.00 0.00 C ATOM 883 C PRO A 62 16.418 6.580 8.265 1.00 0.00 C ATOM 884 O PRO A 62 16.684 5.737 7.405 1.00 0.00 O ATOM 885 CB PRO A 62 15.234 5.508 10.178 1.00 0.00 C ATOM 886 CG PRO A 62 14.366 4.320 9.763 1.00 0.00 C ATOM 887 CD PRO A 62 13.288 5.015 8.946 1.00 0.00 C ATOM 0 HA PRO A 62 15.032 7.581 9.384 1.00 0.00 H new ATOM 0 HB2 PRO A 62 16.269 5.199 10.321 1.00 0.00 H new ATOM 0 HB3 PRO A 62 14.892 5.925 11.125 1.00 0.00 H new ATOM 0 HG2 PRO A 62 14.922 3.590 9.175 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.954 3.791 10.622 1.00 0.00 H new ATOM 0 HD2 PRO A 62 12.894 4.349 8.178 1.00 0.00 H new ATOM 0 HD3 PRO A 62 12.449 5.303 9.579 1.00 0.00 H new ATOM 895 N ASP A 63 17.253 7.529 8.689 1.00 0.00 N ATOM 896 CA ASP A 63 18.444 7.998 8.001 1.00 0.00 C ATOM 897 C ASP A 63 18.127 8.743 6.707 1.00 0.00 C ATOM 898 O ASP A 63 19.034 8.963 5.903 1.00 0.00 O ATOM 899 CB ASP A 63 19.555 6.960 7.830 1.00 0.00 C ATOM 900 CG ASP A 63 19.942 6.243 9.113 1.00 0.00 C ATOM 901 OD1 ASP A 63 19.983 6.937 10.154 1.00 0.00 O ATOM 902 OD2 ASP A 63 20.134 5.011 9.110 1.00 0.00 O1- ATOM 0 H ASP A 63 17.103 8.015 9.573 1.00 0.00 H new ATOM 0 HA ASP A 63 18.871 8.726 8.691 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.236 6.220 7.096 1.00 0.00 H new ATOM 0 HB3 ASP A 63 20.438 7.453 7.422 1.00 0.00 H new ATOM 907 N GLY A 64 16.887 9.061 6.346 1.00 0.00 N ATOM 908 CA GLY A 64 16.498 9.840 5.183 1.00 0.00 C ATOM 909 C GLY A 64 16.583 9.000 3.915 1.00 0.00 C ATOM 910 O GLY A 64 16.915 9.431 2.816 1.00 0.00 O ATOM 0 H GLY A 64 16.080 8.761 6.894 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.481 10.210 5.312 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.145 10.712 5.091 1.00 0.00 H new ATOM 914 N LEU A 65 16.284 7.707 4.086 1.00 0.00 N ATOM 915 CA LEU A 65 16.156 6.705 3.044 1.00 0.00 C ATOM 916 C LEU A 65 14.827 6.715 2.308 1.00 0.00 C ATOM 917 O LEU A 65 13.817 6.844 2.998 1.00 0.00 O ATOM 918 CB LEU A 65 16.577 5.341 3.588 1.00 0.00 C ATOM 919 CG LEU A 65 17.993 5.386 4.148 1.00 0.00 C ATOM 920 CD1 LEU A 65 18.381 3.981 4.606 1.00 0.00 C ATOM 921 CD2 LEU A 65 19.112 5.739 3.180 1.00 0.00 C ATOM 0 H LEU A 65 16.117 7.318 5.014 1.00 0.00 H new ATOM 0 HA LEU A 65 16.848 6.970 2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.884 5.028 4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 65 16.520 4.596 2.794 1.00 0.00 H new ATOM 0 HG LEU A 65 17.928 6.162 4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 65 19.393 3.997 5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 65 17.688 3.645 5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 65 18.339 3.297 3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 65 20.065 5.735 3.709 1.00 0.00 H new ATOM 0 HD22 LEU A 65 19.141 5.005 2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 65 18.933 6.730 2.762 1.00 0.00 H new ATOM 933 N VAL A 66 14.793 6.556 0.982 1.00 0.00 N ATOM 934 CA VAL A 66 13.629 6.262 0.167 1.00 0.00 C ATOM 935 C VAL A 66 13.561 4.812 -0.278 1.00 0.00 C ATOM 936 O VAL A 66 14.508 4.122 -0.634 1.00 0.00 O ATOM 937 CB VAL A 66 13.618 7.185 -1.053 1.00 0.00 C ATOM 938 CG1 VAL A 66 12.256 7.187 -1.734 1.00 0.00 C ATOM 939 CG2 VAL A 66 13.981 8.646 -0.803 1.00 0.00 C ATOM 0 H VAL A 66 15.640 6.636 0.419 1.00 0.00 H new ATOM 0 HA VAL A 66 12.750 6.437 0.787 1.00 0.00 H new ATOM 0 HB VAL A 66 14.403 6.755 -1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 66 12.282 7.852 -2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 66 12.012 6.177 -2.062 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.498 7.533 -1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 66 13.938 9.197 -1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 66 13.276 9.080 -0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 66 14.989 8.705 -0.393 1.00 0.00 H new ATOM 949 N VAL A 67 12.346 4.266 -0.373 1.00 0.00 N ATOM 950 CA VAL A 67 12.023 2.882 -0.701 1.00 0.00 C ATOM 951 C VAL A 67 10.686 2.883 -1.416 1.00 0.00 C ATOM 952 O VAL A 67 9.872 3.779 -1.205 1.00 0.00 O ATOM 953 CB VAL A 67 11.877 2.113 0.610 1.00 0.00 C ATOM 954 CG1 VAL A 67 11.112 0.793 0.638 1.00 0.00 C ATOM 955 CG2 VAL A 67 13.211 1.771 1.272 1.00 0.00 C ATOM 0 H VAL A 67 11.506 4.821 -0.211 1.00 0.00 H new ATOM 0 HA VAL A 67 12.793 2.428 -1.324 1.00 0.00 H new ATOM 0 HB VAL A 67 11.279 2.861 1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.113 0.393 1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 67 10.085 0.961 0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.591 0.080 -0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 67 13.028 1.225 2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 67 13.804 1.153 0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 67 13.753 2.690 1.494 1.00 0.00 H new ATOM 965 N ASP A 68 10.433 1.896 -2.278 1.00 0.00 N ATOM 966 CA ASP A 68 9.083 1.594 -2.702 1.00 0.00 C ATOM 967 C ASP A 68 8.697 0.120 -2.625 1.00 0.00 C ATOM 968 O ASP A 68 9.453 -0.797 -2.949 1.00 0.00 O ATOM 969 CB ASP A 68 8.718 2.249 -4.037 1.00 0.00 C ATOM 970 CG ASP A 68 9.576 2.109 -5.281 1.00 0.00 C ATOM 971 OD1 ASP A 68 10.028 3.100 -5.893 1.00 0.00 O ATOM 972 OD2 ASP A 68 9.742 0.956 -5.746 1.00 0.00 O1- ATOM 0 H ASP A 68 11.150 1.299 -2.690 1.00 0.00 H new ATOM 0 HA ASP A 68 8.452 2.065 -1.948 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.726 1.884 -4.301 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.623 3.317 -3.843 1.00 0.00 H new ATOM 977 N ALA A 69 7.476 -0.153 -2.159 1.00 0.00 N ATOM 978 CA ALA A 69 6.851 -1.355 -1.669 1.00 0.00 C ATOM 979 C ALA A 69 6.085 -2.100 -2.754 1.00 0.00 C ATOM 980 O ALA A 69 5.340 -1.405 -3.438 1.00 0.00 O ATOM 981 CB ALA A 69 6.027 -1.026 -0.423 1.00 0.00 C ATOM 0 H ALA A 69 6.800 0.610 -2.117 1.00 0.00 H new ATOM 0 HA ALA A 69 7.621 -2.065 -1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.553 -1.934 -0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.680 -0.615 0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.260 -0.294 -0.677 1.00 0.00 H new ATOM 987 N LYS A 70 6.224 -3.407 -2.970 1.00 0.00 N ATOM 988 CA LYS A 70 5.728 -4.077 -4.157 1.00 0.00 C ATOM 989 C LYS A 70 4.217 -4.178 -4.177 1.00 0.00 C ATOM 990 O LYS A 70 3.538 -4.589 -3.241 1.00 0.00 O ATOM 991 CB LYS A 70 6.494 -5.364 -4.444 1.00 0.00 C ATOM 992 CG LYS A 70 5.922 -6.105 -5.649 1.00 0.00 C ATOM 993 CD LYS A 70 6.368 -7.560 -5.623 1.00 0.00 C ATOM 994 CE LYS A 70 5.857 -8.316 -4.391 1.00 0.00 C ATOM 995 NZ LYS A 70 6.354 -9.701 -4.293 1.00 0.00 N1+ ATOM 0 H LYS A 70 6.691 -4.033 -2.314 1.00 0.00 H new ATOM 0 HA LYS A 70 5.943 -3.448 -5.021 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.543 -5.130 -4.625 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.458 -6.012 -3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.833 -6.049 -5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.256 -5.630 -6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.013 -8.060 -6.524 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.457 -7.602 -5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.150 -7.770 -3.494 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.767 -8.332 -4.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.968 -10.149 -3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.053 -10.238 -5.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.393 -9.694 -4.241 1.00 0.00 H new ATOM 1009 N VAL A 71 3.611 -3.695 -5.272 1.00 0.00 N ATOM 1010 CA VAL A 71 2.182 -3.672 -5.509 1.00 0.00 C ATOM 1011 C VAL A 71 1.901 -4.743 -6.557 1.00 0.00 C ATOM 1012 O VAL A 71 2.683 -5.004 -7.474 1.00 0.00 O ATOM 1013 CB VAL A 71 1.755 -2.308 -6.031 1.00 0.00 C ATOM 1014 CG1 VAL A 71 0.294 -2.309 -6.485 1.00 0.00 C ATOM 1015 CG2 VAL A 71 1.970 -1.266 -4.942 1.00 0.00 C ATOM 0 H VAL A 71 4.140 -3.293 -6.046 1.00 0.00 H new ATOM 0 HA VAL A 71 1.629 -3.861 -4.589 1.00 0.00 H new ATOM 0 HB VAL A 71 2.364 -2.065 -6.901 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.026 -1.318 -6.851 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.162 -3.039 -7.284 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.348 -2.571 -5.644 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.666 -0.286 -5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.374 -1.526 -4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.025 -1.239 -4.668 1.00 0.00 H new ATOM 1025 N THR A 72 0.790 -5.444 -6.340 1.00 0.00 N ATOM 1026 CA THR A 72 0.311 -6.488 -7.219 1.00 0.00 C ATOM 1027 C THR A 72 -1.200 -6.561 -7.321 1.00 0.00 C ATOM 1028 O THR A 72 -1.964 -6.729 -6.367 1.00 0.00 O ATOM 1029 CB THR A 72 0.934 -7.839 -6.888 1.00 0.00 C ATOM 1030 OG1 THR A 72 2.335 -7.849 -6.980 1.00 0.00 O ATOM 1031 CG2 THR A 72 0.348 -8.902 -7.811 1.00 0.00 C ATOM 0 H THR A 72 0.191 -5.292 -5.529 1.00 0.00 H new ATOM 0 HA THR A 72 0.649 -6.208 -8.217 1.00 0.00 H new ATOM 0 HB THR A 72 0.694 -8.053 -5.846 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.648 -6.975 -7.294 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.791 -9.870 -7.578 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.731 -8.953 -7.668 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.565 -8.644 -8.847 1.00 0.00 H new ATOM 1039 N ASP A 73 -1.694 -6.552 -8.563 1.00 0.00 N ATOM 1040 CA ASP A 73 -3.095 -6.503 -8.956 1.00 0.00 C ATOM 1041 C ASP A 73 -3.781 -7.817 -8.597 1.00 0.00 C ATOM 1042 O ASP A 73 -3.220 -8.880 -8.858 1.00 0.00 O ATOM 1043 CB ASP A 73 -3.122 -6.146 -10.436 1.00 0.00 C ATOM 1044 CG ASP A 73 -4.483 -6.174 -11.106 1.00 0.00 C ATOM 1045 OD1 ASP A 73 -5.497 -6.628 -10.524 1.00 0.00 O ATOM 1046 OD2 ASP A 73 -4.494 -5.720 -12.276 1.00 0.00 O1- ATOM 0 H ASP A 73 -1.076 -6.581 -9.374 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.664 -5.743 -8.420 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.702 -5.147 -10.556 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.464 -6.834 -10.967 1.00 0.00 H new ATOM 1051 N ASN A 74 -4.909 -7.676 -7.889 1.00 0.00 N ATOM 1052 CA ASN A 74 -5.767 -8.787 -7.549 1.00 0.00 C ATOM 1053 C ASN A 74 -6.901 -9.144 -8.498 1.00 0.00 C ATOM 1054 O ASN A 74 -7.545 -10.160 -8.222 1.00 0.00 O ATOM 1055 CB ASN A 74 -6.305 -8.578 -6.131 1.00 0.00 C ATOM 1056 CG ASN A 74 -5.311 -8.256 -5.029 1.00 0.00 C ATOM 1057 OD1 ASN A 74 -4.332 -8.996 -4.883 1.00 0.00 O ATOM 1058 ND2 ASN A 74 -5.435 -7.177 -4.265 1.00 0.00 N ATOM 0 H ASN A 74 -5.242 -6.777 -7.540 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.115 -9.657 -7.636 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.036 -7.770 -6.167 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.842 -9.481 -5.842 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.725 -6.964 -3.564 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.240 -6.561 -4.379 1.00 0.00 H new ATOM 1065 N ASN A 75 -7.020 -8.509 -9.667 1.00 0.00 N ATOM 1066 CA ASN A 75 -8.011 -8.879 -10.667 1.00 0.00 C ATOM 1067 C ASN A 75 -9.435 -8.878 -10.106 1.00 0.00 C ATOM 1068 O ASN A 75 -10.202 -9.757 -10.491 1.00 0.00 O ATOM 1069 CB ASN A 75 -7.566 -10.151 -11.362 1.00 0.00 C ATOM 1070 CG ASN A 75 -6.167 -10.103 -11.961 1.00 0.00 C ATOM 1071 OD1 ASN A 75 -5.459 -8.971 -11.947 1.00 0.00 O flip ATOM 1072 ND2 ASN A 75 -5.676 -11.082 -12.508 1.00 0.00 N flip ATOM 0 H ASN A 75 -6.429 -7.724 -9.942 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.068 -8.117 -11.444 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.610 -10.972 -10.647 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.277 -10.381 -12.156 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.191 -11.962 -12.536 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -4.752 -11.018 -12.936 1.00 0.00 H new ATOM 1079 N ASP A 76 -9.769 -7.856 -9.320 1.00 0.00 N ATOM 1080 CA ASP A 76 -11.002 -7.663 -8.579 1.00 0.00 C ATOM 1081 C ASP A 76 -11.374 -6.230 -8.241 1.00 0.00 C ATOM 1082 O ASP A 76 -12.275 -5.990 -7.437 1.00 0.00 O ATOM 1083 CB ASP A 76 -11.022 -8.585 -7.364 1.00 0.00 C ATOM 1084 CG ASP A 76 -10.042 -8.094 -6.304 1.00 0.00 C ATOM 1085 OD1 ASP A 76 -9.328 -7.087 -6.510 1.00 0.00 O ATOM 1086 OD2 ASP A 76 -9.990 -8.761 -5.246 1.00 0.00 O1- ATOM 0 H ASP A 76 -9.125 -7.078 -9.177 1.00 0.00 H new ATOM 0 HA ASP A 76 -11.801 -7.942 -9.266 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -12.028 -8.625 -6.947 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.762 -9.600 -7.666 1.00 0.00 H new ATOM 1091 N GLY A 77 -10.623 -5.219 -8.675 1.00 0.00 N ATOM 1092 CA GLY A 77 -10.803 -3.818 -8.334 1.00 0.00 C ATOM 1093 C GLY A 77 -9.857 -3.365 -7.228 1.00 0.00 C ATOM 1094 O GLY A 77 -9.896 -2.196 -6.862 1.00 0.00 O ATOM 0 H GLY A 77 -9.835 -5.367 -9.305 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.640 -3.207 -9.222 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.833 -3.653 -8.018 1.00 0.00 H new ATOM 1098 N THR A 78 -8.943 -4.207 -6.757 1.00 0.00 N ATOM 1099 CA THR A 78 -7.942 -3.907 -5.747 1.00 0.00 C ATOM 1100 C THR A 78 -6.526 -4.362 -6.035 1.00 0.00 C ATOM 1101 O THR A 78 -6.246 -5.146 -6.939 1.00 0.00 O ATOM 1102 CB THR A 78 -8.271 -4.522 -4.392 1.00 0.00 C ATOM 1103 OG1 THR A 78 -7.962 -5.872 -4.622 1.00 0.00 O ATOM 1104 CG2 THR A 78 -9.732 -4.523 -3.947 1.00 0.00 C ATOM 0 H THR A 78 -8.880 -5.169 -7.090 1.00 0.00 H new ATOM 0 HA THR A 78 -7.978 -2.818 -5.752 1.00 0.00 H new ATOM 0 HB THR A 78 -7.745 -3.957 -3.622 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.472 -6.198 -5.393 1.00 0.00 H new ATOM 0 HG21 THR A 78 -9.813 -4.991 -2.966 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.096 -3.497 -3.890 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.331 -5.081 -4.666 1.00 0.00 H new ATOM 1112 N TYR A 79 -5.585 -3.826 -5.253 1.00 0.00 N ATOM 1113 CA TYR A 79 -4.195 -4.217 -5.377 1.00 0.00 C ATOM 1114 C TYR A 79 -3.619 -4.584 -4.018 1.00 0.00 C ATOM 1115 O TYR A 79 -3.745 -3.791 -3.096 1.00 0.00 O ATOM 1116 CB TYR A 79 -3.469 -3.009 -5.942 1.00 0.00 C ATOM 1117 CG TYR A 79 -3.985 -2.633 -7.310 1.00 0.00 C ATOM 1118 CD1 TYR A 79 -3.225 -2.939 -8.446 1.00 0.00 C ATOM 1119 CD2 TYR A 79 -5.139 -1.850 -7.411 1.00 0.00 C ATOM 1120 CE1 TYR A 79 -3.626 -2.502 -9.720 1.00 0.00 C ATOM 1121 CE2 TYR A 79 -5.620 -1.512 -8.672 1.00 0.00 C ATOM 1122 CZ TYR A 79 -4.903 -1.938 -9.809 1.00 0.00 C ATOM 1123 OH TYR A 79 -5.435 -1.739 -11.060 1.00 0.00 O ATOM 0 H TYR A 79 -5.767 -3.125 -4.534 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.087 -5.090 -6.020 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.588 -2.164 -5.264 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -2.402 -3.222 -6.002 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.319 -3.518 -8.342 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.650 -1.512 -6.522 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -2.984 -2.596 -10.583 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.526 -0.934 -8.778 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.327 -1.342 -10.977 1.00 0.00 H new ATOM 1133 N GLY A 80 -2.895 -5.713 -3.988 1.00 0.00 N ATOM 1134 CA GLY A 80 -2.121 -6.177 -2.848 1.00 0.00 C ATOM 1135 C GLY A 80 -0.784 -5.444 -2.846 1.00 0.00 C ATOM 1136 O GLY A 80 -0.135 -5.366 -3.882 1.00 0.00 O ATOM 0 H GLY A 80 -2.836 -6.343 -4.788 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.660 -5.986 -1.920 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.963 -7.254 -2.909 1.00 0.00 H new ATOM 1140 N VAL A 81 -0.450 -4.971 -1.641 1.00 0.00 N ATOM 1141 CA VAL A 81 0.780 -4.308 -1.248 1.00 0.00 C ATOM 1142 C VAL A 81 1.479 -5.132 -0.170 1.00 0.00 C ATOM 1143 O VAL A 81 0.784 -5.462 0.787 1.00 0.00 O ATOM 1144 CB VAL A 81 0.591 -2.902 -0.694 1.00 0.00 C ATOM 1145 CG1 VAL A 81 1.957 -2.226 -0.543 1.00 0.00 C ATOM 1146 CG2 VAL A 81 -0.224 -1.992 -1.605 1.00 0.00 C ATOM 0 H VAL A 81 -1.094 -5.053 -0.854 1.00 0.00 H new ATOM 0 HA VAL A 81 1.367 -4.224 -2.162 1.00 0.00 H new ATOM 0 HB VAL A 81 0.064 -3.028 0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.823 -1.220 -0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.576 -2.806 0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.445 -2.171 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.318 -1.008 -1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.278 -1.897 -2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.216 -2.419 -1.753 1.00 0.00 H new ATOM 1156 N VAL A 82 2.801 -5.311 -0.238 1.00 0.00 N ATOM 1157 CA VAL A 82 3.572 -6.090 0.707 1.00 0.00 C ATOM 1158 C VAL A 82 4.847 -5.357 1.123 1.00 0.00 C ATOM 1159 O VAL A 82 5.459 -4.825 0.194 1.00 0.00 O ATOM 1160 CB VAL A 82 3.977 -7.458 0.171 1.00 0.00 C ATOM 1161 CG1 VAL A 82 4.669 -7.567 -1.181 1.00 0.00 C ATOM 1162 CG2 VAL A 82 4.797 -8.276 1.170 1.00 0.00 C ATOM 0 H VAL A 82 3.372 -4.902 -0.978 1.00 0.00 H new ATOM 0 HA VAL A 82 2.910 -6.230 1.562 1.00 0.00 H new ATOM 0 HB VAL A 82 2.977 -7.860 0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.881 -8.614 -1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.019 -7.161 -1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.602 -7.005 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.054 -9.239 0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.710 -7.736 1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.212 -8.437 2.076 1.00 0.00 H new ATOM 1172 N TYR A 83 5.098 -5.380 2.431 1.00 0.00 N ATOM 1173 CA TYR A 83 6.222 -4.613 2.918 1.00 0.00 C ATOM 1174 C TYR A 83 6.770 -5.131 4.244 1.00 0.00 C ATOM 1175 O TYR A 83 6.091 -5.825 5.004 1.00 0.00 O ATOM 1176 CB TYR A 83 5.742 -3.165 2.998 1.00 0.00 C ATOM 1177 CG TYR A 83 6.683 -2.143 3.588 1.00 0.00 C ATOM 1178 CD1 TYR A 83 6.421 -1.611 4.858 1.00 0.00 C ATOM 1179 CD2 TYR A 83 7.862 -1.834 2.904 1.00 0.00 C ATOM 1180 CE1 TYR A 83 7.459 -0.891 5.450 1.00 0.00 C ATOM 1181 CE2 TYR A 83 8.872 -1.073 3.510 1.00 0.00 C ATOM 1182 CZ TYR A 83 8.698 -0.640 4.840 1.00 0.00 C ATOM 1183 OH TYR A 83 9.679 0.071 5.460 1.00 0.00 O ATOM 0 H TYR A 83 4.566 -5.894 3.133 1.00 0.00 H new ATOM 0 HA TYR A 83 7.071 -4.703 2.240 1.00 0.00 H new ATOM 0 HB2 TYR A 83 5.485 -2.841 1.989 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.822 -3.149 3.582 1.00 0.00 H new ATOM 0 HD1 TYR A 83 5.470 -1.750 5.350 1.00 0.00 H new ATOM 0 HD2 TYR A 83 7.997 -2.187 1.892 1.00 0.00 H new ATOM 0 HE1 TYR A 83 7.299 -0.501 6.444 1.00 0.00 H new ATOM 0 HE2 TYR A 83 9.770 -0.822 2.965 1.00 0.00 H new ATOM 0 HH TYR A 83 9.376 0.992 5.602 1.00 0.00 H new ATOM 1193 N ASP A 84 8.091 -5.025 4.352 1.00 0.00 N ATOM 1194 CA ASP A 84 8.903 -5.471 5.467 1.00 0.00 C ATOM 1195 C ASP A 84 9.810 -4.323 5.876 1.00 0.00 C ATOM 1196 O ASP A 84 10.186 -3.445 5.096 1.00 0.00 O ATOM 1197 CB ASP A 84 9.629 -6.795 5.257 1.00 0.00 C ATOM 1198 CG ASP A 84 10.332 -6.995 3.925 1.00 0.00 C ATOM 1199 OD1 ASP A 84 10.337 -8.089 3.321 1.00 0.00 O ATOM 1200 OD2 ASP A 84 11.084 -6.094 3.504 1.00 0.00 O1- ATOM 0 H ASP A 84 8.652 -4.598 3.615 1.00 0.00 H new ATOM 0 HA ASP A 84 8.238 -5.723 6.293 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.369 -6.905 6.050 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.906 -7.601 5.382 1.00 0.00 H new ATOM 1205 N ALA A 85 10.120 -4.287 7.175 1.00 0.00 N ATOM 1206 CA ALA A 85 10.822 -3.211 7.849 1.00 0.00 C ATOM 1207 C ALA A 85 12.165 -3.656 8.380 1.00 0.00 C ATOM 1208 O ALA A 85 12.243 -4.487 9.285 1.00 0.00 O ATOM 1209 CB ALA A 85 10.120 -2.614 9.071 1.00 0.00 C ATOM 0 H ALA A 85 9.873 -5.048 7.808 1.00 0.00 H new ATOM 0 HA ALA A 85 10.884 -2.464 7.057 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.736 -1.820 9.493 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.155 -2.205 8.772 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.968 -3.392 9.820 1.00 0.00 H new ATOM 1215 N PRO A 86 13.300 -3.182 7.861 1.00 0.00 N ATOM 1216 CA PRO A 86 14.622 -3.579 8.303 1.00 0.00 C ATOM 1217 C PRO A 86 15.081 -3.084 9.672 1.00 0.00 C ATOM 1218 O PRO A 86 16.110 -3.496 10.187 1.00 0.00 O ATOM 1219 CB PRO A 86 15.557 -3.137 7.178 1.00 0.00 C ATOM 1220 CG PRO A 86 14.834 -1.878 6.721 1.00 0.00 C ATOM 1221 CD PRO A 86 13.356 -2.248 6.752 1.00 0.00 C ATOM 0 HA PRO A 86 14.621 -4.655 8.478 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.568 -2.933 7.531 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.640 -3.882 6.387 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.046 -1.038 7.382 1.00 0.00 H new ATOM 0 HG3 PRO A 86 15.147 -1.583 5.720 1.00 0.00 H new ATOM 0 HD2 PRO A 86 12.721 -1.378 6.920 1.00 0.00 H new ATOM 0 HD3 PRO A 86 13.030 -2.705 5.817 1.00 0.00 H new ATOM 1229 N VAL A 87 14.394 -2.092 10.256 1.00 0.00 N ATOM 1230 CA VAL A 87 14.787 -1.458 11.500 1.00 0.00 C ATOM 1231 C VAL A 87 13.548 -1.114 12.320 1.00 0.00 C ATOM 1232 O VAL A 87 12.499 -0.843 11.750 1.00 0.00 O ATOM 1233 CB VAL A 87 15.421 -0.103 11.187 1.00 0.00 C ATOM 1234 CG1 VAL A 87 16.657 -0.389 10.336 1.00 0.00 C ATOM 1235 CG2 VAL A 87 14.621 0.950 10.433 1.00 0.00 C ATOM 0 H VAL A 87 13.535 -1.708 9.861 1.00 0.00 H new ATOM 0 HA VAL A 87 15.458 -2.136 12.027 1.00 0.00 H new ATOM 0 HB VAL A 87 15.573 0.341 12.171 1.00 0.00 H new ATOM 0 HG11 VAL A 87 17.150 0.550 10.083 1.00 0.00 H new ATOM 0 HG12 VAL A 87 17.346 -1.021 10.896 1.00 0.00 H new ATOM 0 HG13 VAL A 87 16.358 -0.900 9.421 1.00 0.00 H new ATOM 0 HG21 VAL A 87 15.230 1.844 10.302 1.00 0.00 H new ATOM 0 HG22 VAL A 87 14.335 0.559 9.457 1.00 0.00 H new ATOM 0 HG23 VAL A 87 13.725 1.201 11.000 1.00 0.00 H new ATOM 1245 N GLU A 88 13.686 -1.256 13.637 1.00 0.00 N ATOM 1246 CA GLU A 88 12.772 -0.632 14.576 1.00 0.00 C ATOM 1247 C GLU A 88 12.655 0.821 14.169 1.00 0.00 C ATOM 1248 O GLU A 88 13.645 1.541 14.293 1.00 0.00 O ATOM 1249 CB GLU A 88 13.143 -0.834 16.042 1.00 0.00 C ATOM 1250 CG GLU A 88 12.070 -0.239 16.934 1.00 0.00 C ATOM 1251 CD GLU A 88 12.143 -0.839 18.341 1.00 0.00 C ATOM 1252 OE1 GLU A 88 11.931 -2.053 18.478 1.00 0.00 O ATOM 1253 OE2 GLU A 88 12.716 -0.146 19.214 1.00 0.00 O1- ATOM 0 H GLU A 88 14.428 -1.802 14.074 1.00 0.00 H new ATOM 0 HA GLU A 88 11.798 -1.119 14.521 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.256 -1.897 16.254 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.104 -0.363 16.251 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.193 0.843 16.988 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.086 -0.427 16.503 1.00 0.00 H new ATOM 1260 N GLY A 89 11.456 1.329 13.858 1.00 0.00 N ATOM 1261 CA GLY A 89 11.358 2.690 13.379 1.00 0.00 C ATOM 1262 C GLY A 89 9.917 3.072 13.086 1.00 0.00 C ATOM 1263 O GLY A 89 9.005 2.244 13.094 1.00 0.00 O ATOM 0 H GLY A 89 10.571 0.826 13.930 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.772 3.370 14.123 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.957 2.803 12.475 1.00 0.00 H new ATOM 1267 N ASN A 90 9.705 4.359 12.807 1.00 0.00 N ATOM 1268 CA ASN A 90 8.591 4.968 12.097 1.00 0.00 C ATOM 1269 C ASN A 90 8.919 5.260 10.638 1.00 0.00 C ATOM 1270 O ASN A 90 9.953 5.840 10.314 1.00 0.00 O ATOM 1271 CB ASN A 90 8.034 6.172 12.861 1.00 0.00 C ATOM 1272 CG ASN A 90 6.557 6.386 12.617 1.00 0.00 C ATOM 1273 OD1 ASN A 90 6.128 6.436 11.465 1.00 0.00 O ATOM 1274 ND2 ASN A 90 5.651 6.420 13.607 1.00 0.00 N ATOM 0 H ASN A 90 10.378 5.066 13.104 1.00 0.00 H new ATOM 0 HA ASN A 90 7.784 4.236 12.058 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.205 6.031 13.928 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.580 7.068 12.567 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.657 6.485 13.387 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.956 6.381 14.579 1.00 0.00 H new ATOM 1281 N TYR A 91 7.979 4.873 9.773 1.00 0.00 N ATOM 1282 CA TYR A 91 8.164 4.938 8.329 1.00 0.00 C ATOM 1283 C TYR A 91 6.975 5.711 7.779 1.00 0.00 C ATOM 1284 O TYR A 91 5.936 5.789 8.414 1.00 0.00 O ATOM 1285 CB TYR A 91 8.274 3.513 7.787 1.00 0.00 C ATOM 1286 CG TYR A 91 9.654 2.914 7.750 1.00 0.00 C ATOM 1287 CD1 TYR A 91 10.393 2.470 8.854 1.00 0.00 C ATOM 1288 CD2 TYR A 91 10.192 2.758 6.462 1.00 0.00 C ATOM 1289 CE1 TYR A 91 11.660 1.909 8.661 1.00 0.00 C ATOM 1290 CE2 TYR A 91 11.496 2.278 6.312 1.00 0.00 C ATOM 1291 CZ TYR A 91 12.240 1.752 7.387 1.00 0.00 C ATOM 1292 OH TYR A 91 13.433 1.160 7.104 1.00 0.00 O ATOM 0 H TYR A 91 7.071 4.507 10.057 1.00 0.00 H new ATOM 0 HA TYR A 91 9.078 5.450 8.029 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.638 2.867 8.393 1.00 0.00 H new ATOM 0 HB3 TYR A 91 7.869 3.501 6.775 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.986 2.560 9.850 1.00 0.00 H new ATOM 0 HD2 TYR A 91 9.602 3.007 5.593 1.00 0.00 H new ATOM 0 HE1 TYR A 91 12.218 1.582 9.526 1.00 0.00 H new ATOM 0 HE2 TYR A 91 11.952 2.312 5.333 1.00 0.00 H new ATOM 0 HH TYR A 91 13.591 1.188 6.137 1.00 0.00 H new ATOM 1302 N ASN A 92 7.238 6.402 6.665 1.00 0.00 N ATOM 1303 CA ASN A 92 6.302 7.352 6.094 1.00 0.00 C ATOM 1304 C ASN A 92 5.838 7.016 4.683 1.00 0.00 C ATOM 1305 O ASN A 92 6.636 7.144 3.755 1.00 0.00 O ATOM 1306 CB ASN A 92 7.000 8.703 6.086 1.00 0.00 C ATOM 1307 CG ASN A 92 6.162 9.884 5.617 1.00 0.00 C ATOM 1308 OD1 ASN A 92 6.445 10.568 4.632 1.00 0.00 O ATOM 1309 ND2 ASN A 92 5.174 10.305 6.419 1.00 0.00 N ATOM 0 H ASN A 92 8.108 6.312 6.140 1.00 0.00 H new ATOM 0 HA ASN A 92 5.398 7.337 6.703 1.00 0.00 H new ATOM 0 HB2 ASN A 92 7.355 8.913 7.095 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.880 8.631 5.447 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.679 11.171 6.206 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.918 9.759 7.242 1.00 0.00 H new ATOM 1316 N VAL A 93 4.577 6.647 4.460 1.00 0.00 N ATOM 1317 CA VAL A 93 4.105 6.045 3.227 1.00 0.00 C ATOM 1318 C VAL A 93 3.396 7.147 2.469 1.00 0.00 C ATOM 1319 O VAL A 93 2.620 7.930 3.020 1.00 0.00 O ATOM 1320 CB VAL A 93 3.266 4.778 3.366 1.00 0.00 C ATOM 1321 CG1 VAL A 93 2.975 4.190 1.985 1.00 0.00 C ATOM 1322 CG2 VAL A 93 3.956 3.666 4.137 1.00 0.00 C ATOM 0 H VAL A 93 3.840 6.765 5.155 1.00 0.00 H new ATOM 0 HA VAL A 93 4.965 5.657 2.681 1.00 0.00 H new ATOM 0 HB VAL A 93 2.371 5.093 3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.376 3.286 2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.428 4.919 1.387 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.914 3.945 1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.297 2.799 4.193 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.878 3.388 3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.188 4.012 5.144 1.00 0.00 H new ATOM 1332 N ASN A 94 3.696 7.284 1.179 1.00 0.00 N ATOM 1333 CA ASN A 94 3.038 8.028 0.117 1.00 0.00 C ATOM 1334 C ASN A 94 2.642 7.137 -1.050 1.00 0.00 C ATOM 1335 O ASN A 94 3.453 6.442 -1.649 1.00 0.00 O ATOM 1336 CB ASN A 94 3.909 9.218 -0.287 1.00 0.00 C ATOM 1337 CG ASN A 94 3.064 10.222 -1.065 1.00 0.00 C ATOM 1338 OD1 ASN A 94 1.893 10.385 -0.726 1.00 0.00 O ATOM 1339 ND2 ASN A 94 3.447 10.731 -2.243 1.00 0.00 N ATOM 0 H ASN A 94 4.520 6.809 0.810 1.00 0.00 H new ATOM 0 HA ASN A 94 2.094 8.424 0.490 1.00 0.00 H new ATOM 0 HB2 ASN A 94 4.332 9.691 0.599 1.00 0.00 H new ATOM 0 HB3 ASN A 94 4.746 8.880 -0.898 1.00 0.00 H new ATOM 0 HD21 ASN A 94 2.776 11.233 -2.824 1.00 0.00 H new ATOM 0 HD22 ASN A 94 4.410 10.617 -2.559 1.00 0.00 H new ATOM 1346 N VAL A 95 1.357 7.245 -1.421 1.00 0.00 N ATOM 1347 CA VAL A 95 0.865 6.397 -2.484 1.00 0.00 C ATOM 1348 C VAL A 95 0.415 7.256 -3.659 1.00 0.00 C ATOM 1349 O VAL A 95 -0.078 8.359 -3.418 1.00 0.00 O ATOM 1350 CB VAL A 95 -0.216 5.504 -1.893 1.00 0.00 C ATOM 1351 CG1 VAL A 95 -0.880 4.482 -2.806 1.00 0.00 C ATOM 1352 CG2 VAL A 95 0.258 4.675 -0.702 1.00 0.00 C ATOM 0 H VAL A 95 0.676 7.886 -1.014 1.00 0.00 H new ATOM 0 HA VAL A 95 1.636 5.744 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.938 6.279 -1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.627 3.922 -2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.362 4.996 -3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.127 3.795 -3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.566 4.063 -0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.079 4.029 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.599 5.340 0.091 1.00 0.00 H new ATOM 1362 N THR A 96 0.634 6.786 -4.884 1.00 0.00 N ATOM 1363 CA THR A 96 0.414 7.592 -6.072 1.00 0.00 C ATOM 1364 C THR A 96 -0.208 6.784 -7.197 1.00 0.00 C ATOM 1365 O THR A 96 0.075 5.588 -7.274 1.00 0.00 O ATOM 1366 CB THR A 96 1.729 8.153 -6.609 1.00 0.00 C ATOM 1367 OG1 THR A 96 2.794 7.228 -6.623 1.00 0.00 O ATOM 1368 CG2 THR A 96 2.377 9.331 -5.899 1.00 0.00 C ATOM 0 H THR A 96 0.967 5.841 -5.076 1.00 0.00 H new ATOM 0 HA THR A 96 -0.258 8.394 -5.766 1.00 0.00 H new ATOM 0 HB THR A 96 1.343 8.452 -7.584 1.00 0.00 H new ATOM 0 HG1 THR A 96 3.548 7.605 -7.123 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.301 9.601 -6.411 1.00 0.00 H new ATOM 0 HG22 THR A 96 1.695 10.181 -5.909 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.600 9.056 -4.868 1.00 0.00 H new ATOM 1376 N LEU A 97 -0.827 7.420 -8.192 1.00 0.00 N ATOM 1377 CA LEU A 97 -1.906 6.915 -9.025 1.00 0.00 C ATOM 1378 C LEU A 97 -1.487 7.337 -10.429 1.00 0.00 C ATOM 1379 O LEU A 97 -1.688 8.503 -10.757 1.00 0.00 O ATOM 1380 CB LEU A 97 -3.144 7.594 -8.434 1.00 0.00 C ATOM 1381 CG LEU A 97 -4.484 7.227 -9.060 1.00 0.00 C ATOM 1382 CD1 LEU A 97 -5.600 7.564 -8.086 1.00 0.00 C ATOM 1383 CD2 LEU A 97 -4.763 8.063 -10.310 1.00 0.00 C ATOM 0 H LEU A 97 -0.564 8.371 -8.451 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.115 5.846 -9.063 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.188 7.358 -7.371 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.013 8.673 -8.516 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.444 6.166 -9.307 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -6.561 7.303 -8.529 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.461 7.000 -7.164 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.580 8.631 -7.865 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.726 7.776 -10.732 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.784 9.120 -10.044 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.978 7.890 -11.046 1.00 0.00 H new ATOM 1395 N ARG A 98 -0.807 6.510 -11.218 1.00 0.00 N ATOM 1396 CA ARG A 98 -0.233 6.965 -12.464 1.00 0.00 C ATOM 1397 C ARG A 98 0.644 8.198 -12.273 1.00 0.00 C ATOM 1398 O ARG A 98 0.611 9.162 -13.027 1.00 0.00 O ATOM 1399 CB ARG A 98 -1.388 7.258 -13.423 1.00 0.00 C ATOM 1400 CG ARG A 98 -1.080 7.230 -14.913 1.00 0.00 C ATOM 1401 CD ARG A 98 -2.339 7.458 -15.745 1.00 0.00 C ATOM 1402 NE ARG A 98 -2.766 8.848 -15.570 1.00 0.00 N ATOM 1403 CZ ARG A 98 -3.799 9.337 -14.874 1.00 0.00 C ATOM 1404 NH1 ARG A 98 -4.588 8.646 -14.037 1.00 0.00 N1+ ATOM 1405 NH2 ARG A 98 -4.099 10.627 -15.070 1.00 0.00 N ATOM 0 H ARG A 98 -0.644 5.525 -11.010 1.00 0.00 H new ATOM 0 HA ARG A 98 0.419 6.192 -12.871 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -2.180 6.535 -13.228 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -1.788 8.242 -13.179 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -0.342 7.997 -15.148 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.636 6.270 -15.177 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.140 7.252 -16.797 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -3.129 6.776 -15.431 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.193 9.544 -16.048 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -4.423 7.651 -13.885 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -5.353 9.116 -13.553 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -3.550 11.185 -15.724 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -4.877 11.052 -14.566 1.00 0.00 H new ATOM 1419 N GLY A 99 1.364 8.205 -11.145 1.00 0.00 N ATOM 1420 CA GLY A 99 2.198 9.323 -10.744 1.00 0.00 C ATOM 1421 C GLY A 99 1.487 10.620 -10.425 1.00 0.00 C ATOM 1422 O GLY A 99 1.954 11.696 -10.809 1.00 0.00 O ATOM 0 H GLY A 99 1.378 7.426 -10.487 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.770 9.023 -9.866 1.00 0.00 H new ATOM 0 HA3 GLY A 99 2.916 9.515 -11.541 1.00 0.00 H new ATOM 1426 N ASN A 100 0.299 10.459 -9.824 1.00 0.00 N ATOM 1427 CA ASN A 100 -0.430 11.533 -9.184 1.00 0.00 C ATOM 1428 C ASN A 100 -0.540 11.269 -7.687 1.00 0.00 C ATOM 1429 O ASN A 100 -0.739 10.109 -7.331 1.00 0.00 O ATOM 1430 CB ASN A 100 -1.837 11.628 -9.770 1.00 0.00 C ATOM 1431 CG ASN A 100 -1.981 12.057 -11.223 1.00 0.00 C ATOM 1432 OD1 ASN A 100 -1.732 13.206 -11.587 1.00 0.00 O ATOM 1433 ND2 ASN A 100 -2.063 11.048 -12.090 1.00 0.00 N ATOM 0 H ASN A 100 -0.179 9.559 -9.775 1.00 0.00 H new ATOM 0 HA ASN A 100 0.106 12.467 -9.355 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -2.310 10.652 -9.662 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -2.407 12.327 -9.158 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -1.918 11.218 -13.085 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -2.271 10.106 -11.758 1.00 0.00 H new ATOM 1440 N PRO A 101 -0.422 12.296 -6.856 1.00 0.00 N ATOM 1441 CA PRO A 101 -0.808 12.173 -5.463 1.00 0.00 C ATOM 1442 C PRO A 101 -2.311 12.096 -5.293 1.00 0.00 C ATOM 1443 O PRO A 101 -3.135 12.297 -6.188 1.00 0.00 O ATOM 1444 CB PRO A 101 -0.266 13.383 -4.719 1.00 0.00 C ATOM 1445 CG PRO A 101 -0.338 14.430 -5.821 1.00 0.00 C ATOM 1446 CD PRO A 101 0.009 13.666 -7.099 1.00 0.00 C ATOM 0 HA PRO A 101 -0.395 11.247 -5.063 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -0.875 13.647 -3.854 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.751 13.228 -4.358 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -1.331 14.874 -5.882 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.365 15.244 -5.642 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.502 14.092 -7.963 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.078 13.711 -7.306 1.00 0.00 H new ATOM 1454 N ILE A 102 -2.686 11.689 -4.078 1.00 0.00 N ATOM 1455 CA ILE A 102 -4.032 11.376 -3.633 1.00 0.00 C ATOM 1456 C ILE A 102 -4.336 11.922 -2.245 1.00 0.00 C ATOM 1457 O ILE A 102 -3.468 12.545 -1.627 1.00 0.00 O ATOM 1458 CB ILE A 102 -4.296 9.884 -3.826 1.00 0.00 C ATOM 1459 CG1 ILE A 102 -3.455 9.035 -2.880 1.00 0.00 C ATOM 1460 CG2 ILE A 102 -3.991 9.349 -5.214 1.00 0.00 C ATOM 1461 CD1 ILE A 102 -3.498 7.520 -3.074 1.00 0.00 C ATOM 0 H ILE A 102 -2.003 11.563 -3.331 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.755 11.901 -4.257 1.00 0.00 H new ATOM 0 HB ILE A 102 -5.366 9.806 -3.633 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.418 9.357 -2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.770 9.254 -1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -4.211 8.282 -5.249 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -4.605 9.870 -5.948 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -2.937 9.510 -5.443 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -2.856 7.040 -2.336 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.521 7.166 -2.949 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.148 7.271 -4.076 1.00 0.00 H new ATOM 1473 N LYS A 103 -5.533 11.729 -1.693 1.00 0.00 N ATOM 1474 CA LYS A 103 -5.969 12.324 -0.449 1.00 0.00 C ATOM 1475 C LYS A 103 -5.311 11.642 0.743 1.00 0.00 C ATOM 1476 O LYS A 103 -5.068 10.445 0.601 1.00 0.00 O ATOM 1477 CB LYS A 103 -7.494 12.175 -0.355 1.00 0.00 C ATOM 1478 CG LYS A 103 -8.152 13.101 -1.370 1.00 0.00 C ATOM 1479 CD LYS A 103 -9.629 12.776 -1.553 1.00 0.00 C ATOM 1480 CE LYS A 103 -10.415 13.244 -0.336 1.00 0.00 C ATOM 1481 NZ LYS A 103 -11.886 13.230 -0.445 1.00 0.00 N1+ ATOM 0 H LYS A 103 -6.242 11.133 -2.120 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.683 13.376 -0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.783 11.142 -0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.834 12.419 0.652 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.045 14.135 -1.043 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.639 13.015 -2.328 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -10.009 13.262 -2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.760 11.703 -1.691 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -10.132 12.619 0.511 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -10.102 14.261 -0.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -12.296 12.867 0.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -12.231 14.196 -0.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -12.170 12.617 -1.236 1.00 0.00 H new ATOM 1495 N ASN A 104 -5.405 12.280 1.906 1.00 0.00 N ATOM 1496 CA ASN A 104 -4.984 11.743 3.190 1.00 0.00 C ATOM 1497 C ASN A 104 -3.473 11.546 3.317 1.00 0.00 C ATOM 1498 O ASN A 104 -2.957 11.585 4.434 1.00 0.00 O ATOM 1499 CB ASN A 104 -5.859 10.637 3.765 1.00 0.00 C ATOM 1500 CG ASN A 104 -7.280 11.093 4.084 1.00 0.00 C ATOM 1501 OD1 ASN A 104 -8.206 11.127 3.278 1.00 0.00 O ATOM 1502 ND2 ASN A 104 -7.557 11.445 5.340 1.00 0.00 N ATOM 0 H ASN A 104 -5.792 13.221 1.979 1.00 0.00 H new ATOM 0 HA ASN A 104 -5.190 12.551 3.892 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -5.901 9.811 3.055 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.396 10.253 4.674 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -8.504 11.726 5.594 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.822 11.433 6.047 1.00 0.00 H new ATOM 1509 N MET A 105 -2.747 11.462 2.202 1.00 0.00 N ATOM 1510 CA MET A 105 -1.320 11.251 2.100 1.00 0.00 C ATOM 1511 C MET A 105 -0.431 12.371 2.604 1.00 0.00 C ATOM 1512 O MET A 105 -0.908 13.496 2.529 1.00 0.00 O ATOM 1513 CB MET A 105 -1.085 10.914 0.627 1.00 0.00 C ATOM 1514 CG MET A 105 -1.516 9.501 0.255 1.00 0.00 C ATOM 1515 SD MET A 105 -0.555 8.176 1.032 1.00 0.00 S ATOM 1516 CE MET A 105 -1.896 7.011 1.393 1.00 0.00 C ATOM 0 H MET A 105 -3.182 11.547 1.284 1.00 0.00 H new ATOM 0 HA MET A 105 -1.022 10.450 2.776 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.629 11.627 0.007 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.026 11.035 0.398 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.565 9.375 0.525 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.450 9.390 -0.827 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.487 6.125 1.878 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.621 7.485 2.054 1.00 0.00 H new ATOM 0 HE3 MET A 105 -2.387 6.722 0.464 1.00 0.00 H new ATOM 1526 N PRO A 106 0.837 12.092 2.941 1.00 0.00 N ATOM 1527 CA PRO A 106 1.444 10.832 3.293 1.00 0.00 C ATOM 1528 C PRO A 106 0.974 10.460 4.693 1.00 0.00 C ATOM 1529 O PRO A 106 0.550 11.342 5.434 1.00 0.00 O ATOM 1530 CB PRO A 106 2.926 11.173 3.302 1.00 0.00 C ATOM 1531 CG PRO A 106 2.988 12.595 3.850 1.00 0.00 C ATOM 1532 CD PRO A 106 1.743 13.197 3.210 1.00 0.00 C ATOM 0 HA PRO A 106 1.205 10.001 2.630 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.489 10.481 3.929 1.00 0.00 H new ATOM 0 HB3 PRO A 106 3.353 11.115 2.301 1.00 0.00 H new ATOM 0 HG2 PRO A 106 2.948 12.621 4.939 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.899 13.114 3.552 1.00 0.00 H new ATOM 0 HD2 PRO A 106 1.279 13.925 3.875 1.00 0.00 H new ATOM 0 HD3 PRO A 106 1.996 13.723 2.289 1.00 0.00 H new ATOM 1540 N ILE A 107 1.066 9.176 5.050 1.00 0.00 N ATOM 1541 CA ILE A 107 0.589 8.580 6.284 1.00 0.00 C ATOM 1542 C ILE A 107 1.702 7.729 6.878 1.00 0.00 C ATOM 1543 O ILE A 107 2.702 7.501 6.201 1.00 0.00 O ATOM 1544 CB ILE A 107 -0.738 7.862 6.068 1.00 0.00 C ATOM 1545 CG1 ILE A 107 -0.728 6.934 4.853 1.00 0.00 C ATOM 1546 CG2 ILE A 107 -1.790 8.965 6.006 1.00 0.00 C ATOM 1547 CD1 ILE A 107 -1.819 5.871 4.973 1.00 0.00 C ATOM 0 H ILE A 107 1.506 8.487 4.439 1.00 0.00 H new ATOM 0 HA ILE A 107 0.355 9.344 7.026 1.00 0.00 H new ATOM 0 HB ILE A 107 -0.958 7.172 6.883 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.880 7.516 3.944 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.246 6.453 4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.774 8.521 5.852 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -1.787 9.524 6.942 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.562 9.639 5.180 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.793 5.222 4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.650 5.276 5.871 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -2.793 6.355 5.037 1.00 0.00 H new ATOM 1559 N ASP A 108 1.622 7.389 8.170 1.00 0.00 N ATOM 1560 CA ASP A 108 2.719 6.964 9.020 1.00 0.00 C ATOM 1561 C ASP A 108 2.515 5.538 9.514 1.00 0.00 C ATOM 1562 O ASP A 108 1.390 5.139 9.817 1.00 0.00 O ATOM 1563 CB ASP A 108 2.915 7.919 10.194 1.00 0.00 C ATOM 1564 CG ASP A 108 3.233 9.303 9.654 1.00 0.00 C ATOM 1565 OD1 ASP A 108 2.640 10.311 10.124 1.00 0.00 O ATOM 1566 OD2 ASP A 108 4.155 9.432 8.820 1.00 0.00 O1- ATOM 0 H ASP A 108 0.734 7.407 8.671 1.00 0.00 H new ATOM 0 HA ASP A 108 3.625 6.985 8.415 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.015 7.951 10.808 1.00 0.00 H new ATOM 0 HB3 ASP A 108 3.725 7.569 10.834 1.00 0.00 H new ATOM 1571 N VAL A 109 3.603 4.788 9.715 1.00 0.00 N ATOM 1572 CA VAL A 109 3.624 3.386 10.084 1.00 0.00 C ATOM 1573 C VAL A 109 4.709 3.085 11.115 1.00 0.00 C ATOM 1574 O VAL A 109 5.885 3.303 10.838 1.00 0.00 O ATOM 1575 CB VAL A 109 3.744 2.398 8.935 1.00 0.00 C ATOM 1576 CG1 VAL A 109 4.065 0.929 9.222 1.00 0.00 C ATOM 1577 CG2 VAL A 109 2.510 2.343 8.034 1.00 0.00 C ATOM 0 H VAL A 109 4.542 5.174 9.617 1.00 0.00 H new ATOM 0 HA VAL A 109 2.633 3.233 10.512 1.00 0.00 H new ATOM 0 HB VAL A 109 4.624 2.848 8.475 1.00 0.00 H new ATOM 0 HG11 VAL A 109 4.111 0.377 8.284 1.00 0.00 H new ATOM 0 HG12 VAL A 109 5.026 0.859 9.731 1.00 0.00 H new ATOM 0 HG13 VAL A 109 3.287 0.504 9.856 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.673 1.616 7.238 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.642 2.048 8.623 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.335 3.326 7.597 1.00 0.00 H new ATOM 1587 N LYS A 110 4.318 2.637 12.303 1.00 0.00 N ATOM 1588 CA LYS A 110 5.312 2.104 13.221 1.00 0.00 C ATOM 1589 C LYS A 110 5.719 0.663 12.979 1.00 0.00 C ATOM 1590 O LYS A 110 4.850 -0.172 12.729 1.00 0.00 O ATOM 1591 CB LYS A 110 4.827 2.363 14.651 1.00 0.00 C ATOM 1592 CG LYS A 110 5.962 2.030 15.614 1.00 0.00 C ATOM 1593 CD LYS A 110 5.539 2.259 17.056 1.00 0.00 C ATOM 1594 CE LYS A 110 6.728 2.514 17.979 1.00 0.00 C ATOM 1595 NZ LYS A 110 6.255 2.622 19.370 1.00 0.00 N1+ ATOM 0 H LYS A 110 3.356 2.631 12.643 1.00 0.00 H new ATOM 0 HA LYS A 110 6.247 2.634 13.039 1.00 0.00 H new ATOM 0 HB2 LYS A 110 4.526 3.404 14.766 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.952 1.752 14.871 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.264 0.991 15.481 1.00 0.00 H new ATOM 0 HG3 LYS A 110 6.831 2.646 15.384 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.859 3.109 17.101 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.986 1.389 17.412 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.451 1.703 17.891 1.00 0.00 H new ATOM 0 HE3 LYS A 110 7.240 3.430 17.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.064 2.796 19.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 5.581 3.410 19.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.785 1.736 19.647 1.00 0.00 H new ATOM 1609 N CYS A 111 7.016 0.358 13.039 1.00 0.00 N ATOM 1610 CA CYS A 111 7.607 -0.909 12.656 1.00 0.00 C ATOM 1611 C CYS A 111 8.436 -1.403 13.829 1.00 0.00 C ATOM 1612 O CYS A 111 9.121 -0.627 14.491 1.00 0.00 O ATOM 1613 CB CYS A 111 8.576 -0.648 11.509 1.00 0.00 C ATOM 1614 SG CYS A 111 7.769 -0.071 9.997 1.00 0.00 S ATOM 0 H CYS A 111 7.710 1.026 13.374 1.00 0.00 H new ATOM 0 HA CYS A 111 6.836 -1.626 12.373 1.00 0.00 H new ATOM 0 HB2 CYS A 111 9.309 0.094 11.825 1.00 0.00 H new ATOM 0 HB3 CYS A 111 9.124 -1.565 11.291 1.00 0.00 H new ATOM 0 HG CYS A 111 8.501 0.846 9.437 1.00 0.00 H new ATOM 1620 N ILE A 112 8.309 -2.674 14.208 1.00 0.00 N ATOM 1621 CA ILE A 112 9.102 -3.240 15.276 1.00 0.00 C ATOM 1622 C ILE A 112 9.869 -4.423 14.704 1.00 0.00 C ATOM 1623 O ILE A 112 9.441 -5.129 13.791 1.00 0.00 O ATOM 1624 CB ILE A 112 8.170 -3.652 16.421 1.00 0.00 C ATOM 1625 CG1 ILE A 112 7.269 -2.557 16.985 1.00 0.00 C ATOM 1626 CG2 ILE A 112 8.913 -4.316 17.570 1.00 0.00 C ATOM 1627 CD1 ILE A 112 7.832 -1.270 17.584 1.00 0.00 C ATOM 0 H ILE A 112 7.655 -3.330 13.780 1.00 0.00 H new ATOM 0 HA ILE A 112 9.817 -2.523 15.679 1.00 0.00 H new ATOM 0 HB ILE A 112 7.511 -4.368 15.929 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.595 -2.260 16.181 1.00 0.00 H new ATOM 0 HG13 ILE A 112 6.657 -3.022 17.758 1.00 0.00 H new ATOM 0 HG21 ILE A 112 8.205 -4.587 18.353 1.00 0.00 H new ATOM 0 HG22 ILE A 112 9.415 -5.213 17.208 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.652 -3.624 17.973 1.00 0.00 H new ATOM 0 HD11 ILE A 112 7.012 -0.637 17.922 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.475 -1.513 18.430 1.00 0.00 H new ATOM 0 HD13 ILE A 112 8.412 -0.740 16.828 1.00 0.00 H new ATOM 1639 N GLU A 113 11.121 -4.681 15.073 1.00 0.00 N ATOM 1640 CA GLU A 113 12.145 -5.411 14.343 1.00 0.00 C ATOM 1641 C GLU A 113 12.106 -6.929 14.451 1.00 0.00 C ATOM 1642 O GLU A 113 13.097 -7.661 14.473 1.00 0.00 O ATOM 1643 CB GLU A 113 13.521 -4.842 14.636 1.00 0.00 C ATOM 1644 CG GLU A 113 14.459 -4.771 13.436 1.00 0.00 C ATOM 1645 CD GLU A 113 15.794 -4.102 13.713 1.00 0.00 C ATOM 1646 OE1 GLU A 113 15.830 -2.942 14.179 1.00 0.00 O ATOM 1647 OE2 GLU A 113 16.812 -4.714 13.345 1.00 0.00 O1- ATOM 0 H GLU A 113 11.473 -4.353 15.973 1.00 0.00 H new ATOM 0 HA GLU A 113 11.903 -5.246 13.293 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.403 -3.839 15.045 1.00 0.00 H new ATOM 0 HB3 GLU A 113 13.991 -5.449 15.410 1.00 0.00 H new ATOM 0 HG2 GLU A 113 14.643 -5.783 13.075 1.00 0.00 H new ATOM 0 HG3 GLU A 113 13.958 -4.232 12.632 1.00 0.00 H new ATOM 1654 N GLY A 114 10.886 -7.474 14.397 1.00 0.00 N ATOM 1655 CA GLY A 114 10.605 -8.887 14.569 1.00 0.00 C ATOM 1656 C GLY A 114 11.035 -9.740 13.381 1.00 0.00 C ATOM 0 H GLY A 114 10.047 -6.919 14.227 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.112 -9.244 15.465 1.00 0.00 H new ATOM 0 HA3 GLY A 114 9.536 -9.020 14.734 1.00 0.00 H new TER 1660 GLY A 114