USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 876 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 65 ASN : amide:sc=0.000317 X(o=-0.026,f=0.016) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.0268 X(o=-0.026,f=0.016) USER MOD Set 1.3: A 79 GLN : amide:sc= 0 X(o=-0.026,f=-0.026) USER MOD Single : A 1 MET CE :methyl -157:sc= -0.0706 (180deg=-0.436) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0 (180deg=-0.121) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0548 USER MOD Single : A 5 ASN : amide:sc= 0.592 K(o=0.59,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 176:sc= -0.0446 (180deg=-0.0587) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0343 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00759 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 59:sc= 0.193 USER MOD Single : A 24 ASN : amide:sc= -0.381 K(o=-0.38,f=-1.1) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -2.19 K(o=-2.2,f=-4.1!) USER MOD Single : A 31 GLN : amide:sc= 0.428 X(o=0.43,f=-0.016) USER MOD Single : A 32 GLN : amide:sc= -0.708 K(o=-0.71,f=-4!) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -160:sc= -0.0602 USER MOD Single : A 40 THR OG1 : rot -130:sc=-0.00751 USER MOD Single : A 41 THR OG1 : rot 6:sc= -1.04 USER MOD Single : A 43 GLN : amide:sc= -0.788 K(o=-0.79,f=-1.4) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.088 X(o=-0.088,f=-0.55) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 155:sc= -3.93! (180deg=-5.43!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc=-0.00578 X(o=-0.0058,f=-0.0058) USER MOD Single : A 99 GLN : amide:sc= -1.73 K(o=-1.7,f=-2.4) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -1.92 K(o=-1.9,f=-6.2!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.075 -27.475 5.952 1.00 0.00 N ATOM 2 CA MET A 1 -19.120 -27.334 4.943 1.00 0.00 C ATOM 3 C MET A 1 -18.541 -26.814 3.631 1.00 0.00 C ATOM 4 O MET A 1 -18.939 -27.249 2.551 1.00 0.00 O ATOM 5 CB MET A 1 -20.215 -26.389 5.441 1.00 0.00 C ATOM 6 CG MET A 1 -21.382 -27.106 6.099 1.00 0.00 C ATOM 7 SD MET A 1 -22.142 -26.133 7.412 1.00 0.00 S ATOM 8 CE MET A 1 -20.860 -26.189 8.662 1.00 0.00 C ATOM 0 H1 MET A 1 -18.444 -28.015 6.761 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.262 -27.978 5.542 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.773 -26.533 6.273 1.00 0.00 H new ATOM 0 HA MET A 1 -19.553 -28.318 4.764 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.782 -25.687 6.154 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.587 -25.802 4.601 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.133 -27.339 5.344 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.036 -28.055 6.509 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.300 -26.008 9.643 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.385 -27.170 8.653 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.114 -25.423 8.452 1.00 0.00 H new ATOM 17 N SER A 2 -17.600 -25.881 3.733 1.00 0.00 N ATOM 18 CA SER A 2 -16.970 -25.299 2.553 1.00 0.00 C ATOM 19 C SER A 2 -17.998 -24.572 1.691 1.00 0.00 C ATOM 20 O SER A 2 -19.204 -24.718 1.889 1.00 0.00 O ATOM 21 CB SER A 2 -16.274 -26.385 1.732 1.00 0.00 C ATOM 22 OG SER A 2 -15.839 -27.451 2.559 1.00 0.00 O ATOM 0 H SER A 2 -17.257 -25.512 4.620 1.00 0.00 H new ATOM 0 HA SER A 2 -16.227 -24.576 2.888 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.958 -26.765 0.973 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.420 -25.957 1.207 1.00 0.00 H new ATOM 0 HG SER A 2 -15.399 -28.133 2.009 1.00 0.00 H new ATOM 28 N ILE A 3 -17.511 -23.790 0.733 1.00 0.00 N ATOM 29 CA ILE A 3 -18.386 -23.043 -0.160 1.00 0.00 C ATOM 30 C ILE A 3 -18.574 -23.774 -1.484 1.00 0.00 C ATOM 31 O ILE A 3 -17.656 -23.843 -2.301 1.00 0.00 O ATOM 32 CB ILE A 3 -17.833 -21.632 -0.439 1.00 0.00 C ATOM 33 CG1 ILE A 3 -17.554 -20.901 0.875 1.00 0.00 C ATOM 34 CG2 ILE A 3 -18.809 -20.839 -1.295 1.00 0.00 C ATOM 35 CD1 ILE A 3 -16.100 -20.942 1.293 1.00 0.00 C ATOM 0 H ILE A 3 -16.515 -23.658 0.556 1.00 0.00 H new ATOM 0 HA ILE A 3 -19.349 -22.954 0.343 1.00 0.00 H new ATOM 0 HB ILE A 3 -16.895 -21.728 -0.986 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -17.866 -19.861 0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -18.163 -21.343 1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -18.404 -19.845 -1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -18.962 -21.354 -2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -19.762 -20.750 -0.773 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -15.976 -20.404 2.233 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -15.788 -21.978 1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -15.487 -20.473 0.523 1.00 0.00 H new ATOM 47 N GLU A 4 -19.770 -24.315 -1.690 1.00 0.00 N ATOM 48 CA GLU A 4 -20.078 -25.041 -2.917 1.00 0.00 C ATOM 49 C GLU A 4 -21.576 -25.308 -3.030 1.00 0.00 C ATOM 50 O GLU A 4 -22.265 -25.473 -2.024 1.00 0.00 O ATOM 51 CB GLU A 4 -19.308 -26.363 -2.961 1.00 0.00 C ATOM 52 CG GLU A 4 -19.037 -26.862 -4.372 1.00 0.00 C ATOM 53 CD GLU A 4 -18.744 -28.349 -4.417 1.00 0.00 C ATOM 54 OE1 GLU A 4 -19.655 -29.144 -4.103 1.00 0.00 O ATOM 55 OE2 GLU A 4 -17.603 -28.718 -4.765 1.00 0.00 O ATOM 0 H GLU A 4 -20.541 -24.265 -1.024 1.00 0.00 H new ATOM 0 HA GLU A 4 -19.772 -24.423 -3.761 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -18.359 -26.239 -2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -19.873 -27.121 -2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -19.900 -26.646 -5.002 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -18.192 -26.316 -4.791 1.00 0.00 H new ATOM 62 N ASN A 5 -22.074 -25.348 -4.261 1.00 0.00 N ATOM 63 CA ASN A 5 -23.491 -25.593 -4.507 1.00 0.00 C ATOM 64 C ASN A 5 -23.709 -26.176 -5.900 1.00 0.00 C ATOM 65 O ASN A 5 -22.753 -26.478 -6.615 1.00 0.00 O ATOM 66 CB ASN A 5 -24.288 -24.298 -4.351 1.00 0.00 C ATOM 67 CG ASN A 5 -25.383 -24.413 -3.308 1.00 0.00 C ATOM 68 OD1 ASN A 5 -26.570 -24.403 -3.634 1.00 0.00 O ATOM 69 ND2 ASN A 5 -24.987 -24.523 -2.046 1.00 0.00 N ATOM 0 H ASN A 5 -21.517 -25.214 -5.105 1.00 0.00 H new ATOM 0 HA ASN A 5 -23.842 -26.317 -3.772 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -23.611 -23.489 -4.075 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -24.731 -24.030 -5.310 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -25.678 -24.604 -1.300 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -23.992 -24.527 -1.822 1.00 0.00 H new ATOM 76 N LEU A 6 -24.973 -26.328 -6.280 1.00 0.00 N ATOM 77 CA LEU A 6 -25.317 -26.873 -7.588 1.00 0.00 C ATOM 78 C LEU A 6 -24.769 -25.992 -8.706 1.00 0.00 C ATOM 79 O LEU A 6 -25.119 -24.816 -8.814 1.00 0.00 O ATOM 80 CB LEU A 6 -26.835 -27.005 -7.724 1.00 0.00 C ATOM 81 CG LEU A 6 -27.377 -28.428 -7.855 1.00 0.00 C ATOM 82 CD1 LEU A 6 -28.898 -28.425 -7.832 1.00 0.00 C ATOM 83 CD2 LEU A 6 -26.863 -29.078 -9.132 1.00 0.00 C ATOM 0 H LEU A 6 -25.776 -26.082 -5.701 1.00 0.00 H new ATOM 0 HA LEU A 6 -24.864 -27.861 -7.674 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -27.299 -26.540 -6.854 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -27.152 -26.435 -8.598 1.00 0.00 H new ATOM 0 HG LEU A 6 -27.023 -29.011 -7.005 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -29.265 -29.447 -7.926 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -29.247 -27.999 -6.891 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -29.273 -27.826 -8.662 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -27.259 -30.091 -9.209 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -27.188 -28.495 -9.993 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -25.774 -29.115 -9.109 1.00 0.00 H new ATOM 95 N LYS A 7 -23.910 -26.569 -9.539 1.00 0.00 N ATOM 96 CA LYS A 7 -23.316 -25.838 -10.652 1.00 0.00 C ATOM 97 C LYS A 7 -23.959 -26.244 -11.975 1.00 0.00 C ATOM 98 O LYS A 7 -23.268 -26.496 -12.961 1.00 0.00 O ATOM 99 CB LYS A 7 -21.808 -26.091 -10.709 1.00 0.00 C ATOM 100 CG LYS A 7 -21.054 -25.549 -9.507 1.00 0.00 C ATOM 101 CD LYS A 7 -20.849 -24.046 -9.610 1.00 0.00 C ATOM 102 CE LYS A 7 -19.442 -23.707 -10.081 1.00 0.00 C ATOM 103 NZ LYS A 7 -19.188 -24.196 -11.464 1.00 0.00 N ATOM 0 H LYS A 7 -23.609 -27.541 -9.465 1.00 0.00 H new ATOM 0 HA LYS A 7 -23.495 -24.775 -10.491 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -21.631 -27.164 -10.785 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -21.406 -25.637 -11.615 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -21.605 -25.781 -8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -20.086 -26.045 -9.429 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -21.577 -23.625 -10.303 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -21.030 -23.585 -8.639 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -19.297 -22.627 -10.045 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -18.715 -24.149 -9.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -18.244 -23.887 -11.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -19.235 -25.235 -11.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -19.907 -23.808 -12.107 1.00 0.00 H new ATOM 117 N SER A 8 -25.289 -26.300 -11.988 1.00 0.00 N ATOM 118 CA SER A 8 -26.025 -26.677 -13.189 1.00 0.00 C ATOM 119 C SER A 8 -26.312 -25.455 -14.056 1.00 0.00 C ATOM 120 O SER A 8 -26.128 -25.486 -15.273 1.00 0.00 O ATOM 121 CB SER A 8 -27.337 -27.368 -12.812 1.00 0.00 C ATOM 122 OG SER A 8 -27.896 -26.796 -11.641 1.00 0.00 O ATOM 0 H SER A 8 -25.877 -26.089 -11.181 1.00 0.00 H new ATOM 0 HA SER A 8 -25.408 -27.370 -13.761 1.00 0.00 H new ATOM 0 HB2 SER A 8 -28.046 -27.284 -13.636 1.00 0.00 H new ATOM 0 HB3 SER A 8 -27.159 -28.431 -12.652 1.00 0.00 H new ATOM 0 HG SER A 8 -28.734 -27.253 -11.422 1.00 0.00 H new ATOM 128 N PHE A 9 -26.762 -24.379 -13.420 1.00 0.00 N ATOM 129 CA PHE A 9 -27.076 -23.145 -14.132 1.00 0.00 C ATOM 130 C PHE A 9 -26.244 -21.983 -13.598 1.00 0.00 C ATOM 131 O PHE A 9 -26.509 -21.462 -12.514 1.00 0.00 O ATOM 132 CB PHE A 9 -28.566 -22.822 -14.003 1.00 0.00 C ATOM 133 CG PHE A 9 -29.400 -23.383 -15.120 1.00 0.00 C ATOM 134 CD1 PHE A 9 -29.812 -24.707 -15.096 1.00 0.00 C ATOM 135 CD2 PHE A 9 -29.772 -22.590 -16.191 1.00 0.00 C ATOM 136 CE1 PHE A 9 -30.579 -25.226 -16.121 1.00 0.00 C ATOM 137 CE2 PHE A 9 -30.539 -23.104 -17.221 1.00 0.00 C ATOM 138 CZ PHE A 9 -30.943 -24.424 -17.184 1.00 0.00 C ATOM 0 H PHE A 9 -26.918 -24.336 -12.413 1.00 0.00 H new ATOM 0 HA PHE A 9 -26.833 -23.290 -15.185 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -28.934 -23.213 -13.054 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -28.694 -21.740 -13.973 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -29.530 -25.339 -14.267 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -29.460 -21.557 -16.223 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -30.894 -26.259 -16.091 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -30.821 -22.475 -18.052 1.00 0.00 H new ATOM 0 HZ PHE A 9 -31.543 -24.828 -17.986 1.00 0.00 H new ATOM 148 N ASP A 10 -25.238 -21.582 -14.366 1.00 0.00 N ATOM 149 CA ASP A 10 -24.366 -20.480 -13.974 1.00 0.00 C ATOM 150 C ASP A 10 -24.813 -19.175 -14.623 1.00 0.00 C ATOM 151 O ASP A 10 -25.538 -19.165 -15.617 1.00 0.00 O ATOM 152 CB ASP A 10 -22.918 -20.786 -14.356 1.00 0.00 C ATOM 153 CG ASP A 10 -22.098 -21.271 -13.177 1.00 0.00 C ATOM 154 OD1 ASP A 10 -22.699 -21.705 -12.172 1.00 0.00 O ATOM 155 OD2 ASP A 10 -20.853 -21.218 -13.259 1.00 0.00 O ATOM 0 H ASP A 10 -25.005 -22.004 -15.265 1.00 0.00 H new ATOM 0 HA ASP A 10 -24.431 -20.366 -12.892 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -22.904 -21.543 -15.140 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -22.458 -19.889 -14.771 1.00 0.00 H new ATOM 160 N PRO A 11 -24.371 -18.047 -14.049 1.00 0.00 N ATOM 161 CA PRO A 11 -24.714 -16.714 -14.555 1.00 0.00 C ATOM 162 C PRO A 11 -24.043 -16.413 -15.891 1.00 0.00 C ATOM 163 O PRO A 11 -23.286 -17.230 -16.417 1.00 0.00 O ATOM 164 CB PRO A 11 -24.184 -15.775 -13.469 1.00 0.00 C ATOM 165 CG PRO A 11 -23.090 -16.539 -12.806 1.00 0.00 C ATOM 166 CD PRO A 11 -23.503 -17.983 -12.861 1.00 0.00 C ATOM 0 HA PRO A 11 -25.783 -16.611 -14.742 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -23.813 -14.844 -13.898 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -24.967 -15.509 -12.759 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -22.140 -16.385 -13.318 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -22.954 -16.211 -11.776 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -22.641 -18.644 -12.957 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -24.035 -18.283 -11.958 1.00 0.00 H new ATOM 174 N PHE A 12 -24.326 -15.234 -16.438 1.00 0.00 N ATOM 175 CA PHE A 12 -23.751 -14.825 -17.714 1.00 0.00 C ATOM 176 C PHE A 12 -22.236 -14.671 -17.604 1.00 0.00 C ATOM 177 O PHE A 12 -21.487 -15.202 -18.422 1.00 0.00 O ATOM 178 CB PHE A 12 -24.375 -13.509 -18.180 1.00 0.00 C ATOM 179 CG PHE A 12 -23.908 -13.071 -19.539 1.00 0.00 C ATOM 180 CD1 PHE A 12 -24.008 -13.922 -20.627 1.00 0.00 C ATOM 181 CD2 PHE A 12 -23.368 -11.809 -19.727 1.00 0.00 C ATOM 182 CE1 PHE A 12 -23.578 -13.522 -21.879 1.00 0.00 C ATOM 183 CE2 PHE A 12 -22.937 -11.403 -20.975 1.00 0.00 C ATOM 184 CZ PHE A 12 -23.042 -12.261 -22.053 1.00 0.00 C ATOM 0 H PHE A 12 -24.950 -14.546 -16.017 1.00 0.00 H new ATOM 0 HA PHE A 12 -23.968 -15.602 -18.447 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -25.460 -13.616 -18.195 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -24.141 -12.729 -17.456 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -24.426 -14.909 -20.496 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -23.283 -11.135 -18.888 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -23.661 -14.195 -22.720 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -22.519 -10.416 -21.108 1.00 0.00 H new ATOM 0 HZ PHE A 12 -22.706 -11.946 -23.030 1.00 0.00 H new ATOM 194 N ALA A 13 -21.795 -13.940 -16.585 1.00 0.00 N ATOM 195 CA ALA A 13 -20.371 -13.717 -16.366 1.00 0.00 C ATOM 196 C ALA A 13 -20.132 -12.886 -15.110 1.00 0.00 C ATOM 197 O ALA A 13 -20.083 -11.657 -15.166 1.00 0.00 O ATOM 198 CB ALA A 13 -19.752 -13.034 -17.578 1.00 0.00 C ATOM 0 H ALA A 13 -22.403 -13.493 -15.899 1.00 0.00 H new ATOM 0 HA ALA A 13 -19.894 -14.687 -16.225 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.688 -12.873 -17.401 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -19.883 -13.665 -18.457 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -20.241 -12.074 -17.744 1.00 0.00 H new ATOM 204 N ASP A 14 -19.984 -13.566 -13.978 1.00 0.00 N ATOM 205 CA ASP A 14 -19.749 -12.891 -12.706 1.00 0.00 C ATOM 206 C ASP A 14 -18.728 -13.651 -11.867 1.00 0.00 C ATOM 207 O ASP A 14 -18.728 -14.884 -11.834 1.00 0.00 O ATOM 208 CB ASP A 14 -21.060 -12.749 -11.931 1.00 0.00 C ATOM 209 CG ASP A 14 -21.403 -11.302 -11.634 1.00 0.00 C ATOM 210 OD1 ASP A 14 -21.094 -10.434 -12.476 1.00 0.00 O ATOM 211 OD2 ASP A 14 -21.984 -11.039 -10.561 1.00 0.00 O ATOM 0 H ASP A 14 -20.023 -14.583 -13.915 1.00 0.00 H new ATOM 0 HA ASP A 14 -19.351 -11.899 -12.918 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -21.869 -13.201 -12.505 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -20.987 -13.302 -10.994 1.00 0.00 H new ATOM 216 N THR A 15 -17.855 -12.911 -11.190 1.00 0.00 N ATOM 217 CA THR A 15 -16.827 -13.516 -10.353 1.00 0.00 C ATOM 218 C THR A 15 -16.777 -12.852 -8.981 1.00 0.00 C ATOM 219 O THR A 15 -16.936 -11.639 -8.861 1.00 0.00 O ATOM 220 CB THR A 15 -15.438 -13.416 -11.012 1.00 0.00 C ATOM 221 OG1 THR A 15 -14.431 -13.874 -10.101 1.00 0.00 O ATOM 222 CG2 THR A 15 -15.138 -11.984 -11.428 1.00 0.00 C ATOM 0 H THR A 15 -17.840 -11.891 -11.205 1.00 0.00 H new ATOM 0 HA THR A 15 -17.090 -14.567 -10.235 1.00 0.00 H new ATOM 0 HB THR A 15 -15.436 -14.044 -11.903 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.551 -13.809 -10.527 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.152 -11.938 -11.891 1.00 0.00 H new ATOM 0 HG22 THR A 15 -15.890 -11.647 -12.142 1.00 0.00 H new ATOM 0 HG23 THR A 15 -15.157 -11.339 -10.550 1.00 0.00 H new ATOM 230 N GLY A 16 -16.550 -13.658 -7.948 1.00 0.00 N ATOM 231 CA GLY A 16 -16.482 -13.131 -6.597 1.00 0.00 C ATOM 232 C GLY A 16 -17.035 -14.098 -5.569 1.00 0.00 C ATOM 233 O GLY A 16 -18.015 -14.797 -5.828 1.00 0.00 O ATOM 0 H GLY A 16 -16.412 -14.666 -8.022 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -15.445 -12.899 -6.352 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -17.038 -12.195 -6.547 1.00 0.00 H new ATOM 237 N ASP A 17 -16.405 -14.141 -4.400 1.00 0.00 N ATOM 238 CA ASP A 17 -16.839 -15.030 -3.329 1.00 0.00 C ATOM 239 C ASP A 17 -16.678 -14.360 -1.968 1.00 0.00 C ATOM 240 O ASP A 17 -16.501 -15.033 -0.952 1.00 0.00 O ATOM 241 CB ASP A 17 -16.045 -16.335 -3.366 1.00 0.00 C ATOM 242 CG ASP A 17 -16.502 -17.260 -4.479 1.00 0.00 C ATOM 243 OD1 ASP A 17 -17.665 -17.711 -4.435 1.00 0.00 O ATOM 244 OD2 ASP A 17 -15.695 -17.532 -5.393 1.00 0.00 O ATOM 0 H ASP A 17 -15.592 -13.570 -4.170 1.00 0.00 H new ATOM 0 HA ASP A 17 -17.895 -15.253 -3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -14.987 -16.109 -3.497 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.146 -16.846 -2.408 1.00 0.00 H new ATOM 249 N ASP A 18 -16.738 -13.033 -1.956 1.00 0.00 N ATOM 250 CA ASP A 18 -16.597 -12.272 -0.721 1.00 0.00 C ATOM 251 C ASP A 18 -15.310 -12.649 0.007 1.00 0.00 C ATOM 252 O ASP A 18 -15.301 -13.550 0.845 1.00 0.00 O ATOM 253 CB ASP A 18 -17.802 -12.512 0.191 1.00 0.00 C ATOM 254 CG ASP A 18 -17.947 -11.441 1.255 1.00 0.00 C ATOM 255 OD1 ASP A 18 -17.238 -11.523 2.279 1.00 0.00 O ATOM 256 OD2 ASP A 18 -18.769 -10.521 1.062 1.00 0.00 O ATOM 0 H ASP A 18 -16.883 -12.462 -2.789 1.00 0.00 H new ATOM 0 HA ASP A 18 -16.550 -11.214 -0.979 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -18.709 -12.546 -0.412 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -17.702 -13.485 0.671 1.00 0.00 H new ATOM 261 N GLU A 19 -14.227 -11.954 -0.320 1.00 0.00 N ATOM 262 CA GLU A 19 -12.934 -12.217 0.301 1.00 0.00 C ATOM 263 C GLU A 19 -12.255 -10.916 0.720 1.00 0.00 C ATOM 264 O GLU A 19 -11.232 -10.527 0.158 1.00 0.00 O ATOM 265 CB GLU A 19 -12.028 -12.989 -0.661 1.00 0.00 C ATOM 266 CG GLU A 19 -12.591 -14.339 -1.077 1.00 0.00 C ATOM 267 CD GLU A 19 -11.554 -15.443 -1.032 1.00 0.00 C ATOM 268 OE1 GLU A 19 -10.690 -15.483 -1.932 1.00 0.00 O ATOM 269 OE2 GLU A 19 -11.607 -16.268 -0.095 1.00 0.00 O ATOM 0 H GLU A 19 -14.218 -11.204 -1.011 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.106 -12.821 1.192 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.860 -12.385 -1.552 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.057 -13.139 -0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.422 -14.599 -0.421 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.993 -14.265 -2.087 1.00 0.00 H new ATOM 276 N THR A 20 -12.835 -10.248 1.712 1.00 0.00 N ATOM 277 CA THR A 20 -12.289 -8.990 2.208 1.00 0.00 C ATOM 278 C THR A 20 -11.483 -9.205 3.483 1.00 0.00 C ATOM 279 O THR A 20 -10.439 -8.583 3.680 1.00 0.00 O ATOM 280 CB THR A 20 -13.403 -7.964 2.487 1.00 0.00 C ATOM 281 OG1 THR A 20 -14.544 -8.622 3.050 1.00 0.00 O ATOM 282 CG2 THR A 20 -13.807 -7.243 1.209 1.00 0.00 C ATOM 0 H THR A 20 -13.683 -10.557 2.188 1.00 0.00 H new ATOM 0 HA THR A 20 -11.634 -8.602 1.428 1.00 0.00 H new ATOM 0 HB THR A 20 -13.021 -7.229 3.195 1.00 0.00 H new ATOM 0 HG1 THR A 20 -15.248 -7.963 3.226 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.595 -6.523 1.431 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.944 -6.720 0.798 1.00 0.00 H new ATOM 0 HG23 THR A 20 -14.172 -7.968 0.482 1.00 0.00 H new ATOM 290 N ALA A 21 -11.971 -10.090 4.345 1.00 0.00 N ATOM 291 CA ALA A 21 -11.293 -10.388 5.601 1.00 0.00 C ATOM 292 C ALA A 21 -11.168 -9.140 6.468 1.00 0.00 C ATOM 293 O ALA A 21 -11.564 -8.047 6.062 1.00 0.00 O ATOM 294 CB ALA A 21 -9.920 -10.984 5.330 1.00 0.00 C ATOM 0 H ALA A 21 -12.834 -10.614 4.197 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.893 -11.117 6.145 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.425 -11.202 6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.030 -11.905 4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.320 -10.273 4.762 1.00 0.00 H new ATOM 300 N THR A 22 -10.615 -9.309 7.665 1.00 0.00 N ATOM 301 CA THR A 22 -10.440 -8.197 8.590 1.00 0.00 C ATOM 302 C THR A 22 -9.035 -8.189 9.182 1.00 0.00 C ATOM 303 O THR A 22 -8.767 -8.857 10.180 1.00 0.00 O ATOM 304 CB THR A 22 -11.467 -8.252 9.737 1.00 0.00 C ATOM 305 OG1 THR A 22 -12.765 -8.564 9.217 1.00 0.00 O ATOM 306 CG2 THR A 22 -11.518 -6.928 10.483 1.00 0.00 C ATOM 0 H THR A 22 -10.281 -10.206 8.016 1.00 0.00 H new ATOM 0 HA THR A 22 -10.595 -7.283 8.017 1.00 0.00 H new ATOM 0 HB THR A 22 -11.158 -9.031 10.435 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.412 -8.599 9.952 1.00 0.00 H new ATOM 0 HG21 THR A 22 -12.250 -6.992 11.288 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.536 -6.709 10.902 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.804 -6.133 9.794 1.00 0.00 H new ATOM 314 N SER A 23 -8.141 -7.429 8.559 1.00 0.00 N ATOM 315 CA SER A 23 -6.761 -7.336 9.022 1.00 0.00 C ATOM 316 C SER A 23 -5.974 -6.329 8.189 1.00 0.00 C ATOM 317 O SER A 23 -5.999 -6.370 6.960 1.00 0.00 O ATOM 318 CB SER A 23 -6.087 -8.708 8.957 1.00 0.00 C ATOM 319 OG SER A 23 -5.870 -9.233 10.255 1.00 0.00 O ATOM 0 H SER A 23 -8.347 -6.868 7.732 1.00 0.00 H new ATOM 0 HA SER A 23 -6.773 -6.993 10.057 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.709 -9.395 8.383 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.136 -8.624 8.432 1.00 0.00 H new ATOM 0 HG SER A 23 -6.727 -9.309 10.725 1.00 0.00 H new ATOM 325 N ASN A 24 -5.275 -5.425 8.871 1.00 0.00 N ATOM 326 CA ASN A 24 -4.482 -4.406 8.194 1.00 0.00 C ATOM 327 C ASN A 24 -3.550 -5.036 7.165 1.00 0.00 C ATOM 328 O ASN A 24 -2.759 -5.924 7.489 1.00 0.00 O ATOM 329 CB ASN A 24 -3.669 -3.605 9.212 1.00 0.00 C ATOM 330 CG ASN A 24 -2.569 -4.430 9.853 1.00 0.00 C ATOM 331 OD1 ASN A 24 -2.839 -5.375 10.595 1.00 0.00 O ATOM 332 ND2 ASN A 24 -1.321 -4.077 9.567 1.00 0.00 N ATOM 0 H ASN A 24 -5.242 -5.378 9.889 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.166 -3.734 7.675 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.229 -2.738 8.720 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.335 -3.227 9.988 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.540 -4.596 9.967 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.144 -3.287 8.947 1.00 0.00 H new ATOM 339 N TYR A 25 -3.646 -4.573 5.924 1.00 0.00 N ATOM 340 CA TYR A 25 -2.813 -5.093 4.847 1.00 0.00 C ATOM 341 C TYR A 25 -1.516 -4.297 4.728 1.00 0.00 C ATOM 342 O TYR A 25 -0.498 -4.815 4.271 1.00 0.00 O ATOM 343 CB TYR A 25 -3.573 -5.051 3.520 1.00 0.00 C ATOM 344 CG TYR A 25 -3.885 -6.420 2.957 1.00 0.00 C ATOM 345 CD1 TYR A 25 -2.969 -7.086 2.152 1.00 0.00 C ATOM 346 CD2 TYR A 25 -5.093 -7.047 3.232 1.00 0.00 C ATOM 347 CE1 TYR A 25 -3.249 -8.335 1.635 1.00 0.00 C ATOM 348 CE2 TYR A 25 -5.381 -8.298 2.721 1.00 0.00 C ATOM 349 CZ TYR A 25 -4.457 -8.938 1.923 1.00 0.00 C ATOM 350 OH TYR A 25 -4.740 -10.183 1.411 1.00 0.00 O ATOM 0 H TYR A 25 -4.293 -3.838 5.639 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.563 -6.127 5.083 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.505 -4.505 3.662 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.985 -4.493 2.791 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.022 -6.619 1.927 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.820 -6.548 3.856 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -2.527 -8.838 1.009 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.325 -8.772 2.946 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.630 -10.465 1.710 1.00 0.00 H new ATOM 360 N ILE A 26 -1.564 -3.036 5.145 1.00 0.00 N ATOM 361 CA ILE A 26 -0.395 -2.168 5.087 1.00 0.00 C ATOM 362 C ILE A 26 -0.435 -1.117 6.191 1.00 0.00 C ATOM 363 O ILE A 26 -1.385 -0.338 6.287 1.00 0.00 O ATOM 364 CB ILE A 26 -0.285 -1.461 3.724 1.00 0.00 C ATOM 365 CG1 ILE A 26 -1.654 -0.938 3.284 1.00 0.00 C ATOM 366 CG2 ILE A 26 0.288 -2.408 2.680 1.00 0.00 C ATOM 367 CD1 ILE A 26 -1.579 0.115 2.201 1.00 0.00 C ATOM 0 H ILE A 26 -2.400 -2.593 5.527 1.00 0.00 H new ATOM 0 HA ILE A 26 0.478 -2.806 5.227 1.00 0.00 H new ATOM 0 HB ILE A 26 0.391 -0.612 3.825 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.255 -1.774 2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.170 -0.522 4.149 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.359 -1.893 1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.280 -2.735 2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.365 -3.275 2.578 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.586 0.440 1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.005 0.968 2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.092 -0.303 1.320 1.00 0.00 H new ATOM 379 N HIS A 27 0.602 -1.098 7.021 1.00 0.00 N ATOM 380 CA HIS A 27 0.687 -0.141 8.118 1.00 0.00 C ATOM 381 C HIS A 27 1.489 1.090 7.704 1.00 0.00 C ATOM 382 O HIS A 27 2.578 0.971 7.142 1.00 0.00 O ATOM 383 CB HIS A 27 1.326 -0.792 9.345 1.00 0.00 C ATOM 384 CG HIS A 27 1.486 0.143 10.505 1.00 0.00 C ATOM 385 ND1 HIS A 27 0.719 0.060 11.648 1.00 0.00 N ATOM 386 CD2 HIS A 27 2.330 1.184 10.694 1.00 0.00 C ATOM 387 CE1 HIS A 27 1.086 1.010 12.490 1.00 0.00 C ATOM 388 NE2 HIS A 27 2.062 1.705 11.934 1.00 0.00 N ATOM 0 H HIS A 27 1.396 -1.735 6.955 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.325 0.174 8.371 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.716 -1.641 9.655 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.304 -1.186 9.069 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -0.016 -0.627 11.817 1.00 0.00 H new ATOM 0 HD2 HIS A 27 3.076 1.538 9.998 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.660 1.188 13.467 1.00 0.00 H new ATOM 396 N ILE A 28 0.944 2.269 7.984 1.00 0.00 N ATOM 397 CA ILE A 28 1.609 3.519 7.643 1.00 0.00 C ATOM 398 C ILE A 28 1.593 4.491 8.818 1.00 0.00 C ATOM 399 O ILE A 28 0.552 5.060 9.150 1.00 0.00 O ATOM 400 CB ILE A 28 0.950 4.191 6.424 1.00 0.00 C ATOM 401 CG1 ILE A 28 0.323 3.138 5.509 1.00 0.00 C ATOM 402 CG2 ILE A 28 1.971 5.025 5.662 1.00 0.00 C ATOM 403 CD1 ILE A 28 1.336 2.214 4.869 1.00 0.00 C ATOM 0 H ILE A 28 0.042 2.384 8.447 1.00 0.00 H new ATOM 0 HA ILE A 28 2.641 3.271 7.397 1.00 0.00 H new ATOM 0 HB ILE A 28 0.160 4.854 6.777 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.386 2.544 6.085 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.245 3.640 4.726 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.490 5.494 4.803 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.373 5.797 6.318 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.782 4.383 5.318 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.821 1.493 4.234 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.031 2.798 4.266 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.887 1.684 5.646 1.00 0.00 H new ATOM 415 N ARG A 29 2.752 4.678 9.440 1.00 0.00 N ATOM 416 CA ARG A 29 2.869 5.582 10.578 1.00 0.00 C ATOM 417 C ARG A 29 3.888 6.682 10.295 1.00 0.00 C ATOM 418 O ARG A 29 5.096 6.444 10.317 1.00 0.00 O ATOM 419 CB ARG A 29 3.276 4.806 11.833 1.00 0.00 C ATOM 420 CG ARG A 29 3.631 5.699 13.012 1.00 0.00 C ATOM 421 CD ARG A 29 5.108 5.601 13.359 1.00 0.00 C ATOM 422 NE ARG A 29 5.501 4.238 13.703 1.00 0.00 N ATOM 423 CZ ARG A 29 6.607 3.940 14.376 1.00 0.00 C ATOM 424 NH1 ARG A 29 7.424 4.903 14.775 1.00 0.00 N ATOM 425 NH2 ARG A 29 6.897 2.674 14.650 1.00 0.00 N ATOM 0 H ARG A 29 3.622 4.216 9.176 1.00 0.00 H new ATOM 0 HA ARG A 29 1.896 6.045 10.744 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.459 4.144 12.122 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.131 4.173 11.597 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.379 6.733 12.776 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.033 5.415 13.878 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.703 5.947 12.513 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.328 6.264 14.196 1.00 0.00 H new ATOM 0 HE ARG A 29 4.893 3.473 13.411 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.205 5.877 14.566 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.272 4.671 15.292 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.271 1.930 14.344 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.746 2.446 15.167 1.00 0.00 H new ATOM 439 N ILE A 30 3.392 7.886 10.028 1.00 0.00 N ATOM 440 CA ILE A 30 4.259 9.022 9.741 1.00 0.00 C ATOM 441 C ILE A 30 4.346 9.962 10.937 1.00 0.00 C ATOM 442 O ILE A 30 3.372 10.147 11.666 1.00 0.00 O ATOM 443 CB ILE A 30 3.764 9.813 8.516 1.00 0.00 C ATOM 444 CG1 ILE A 30 4.800 10.861 8.105 1.00 0.00 C ATOM 445 CG2 ILE A 30 2.426 10.469 8.815 1.00 0.00 C ATOM 446 CD1 ILE A 30 4.398 11.662 6.885 1.00 0.00 C ATOM 0 H ILE A 30 2.395 8.100 10.005 1.00 0.00 H new ATOM 0 HA ILE A 30 5.248 8.618 9.526 1.00 0.00 H new ATOM 0 HB ILE A 30 3.628 9.121 7.685 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.966 11.543 8.939 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.749 10.363 7.906 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.089 11.024 7.940 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.692 9.702 9.063 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.536 11.152 9.658 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.179 12.386 6.651 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.260 10.990 6.038 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.465 12.188 7.086 1.00 0.00 H new ATOM 458 N GLN A 31 5.519 10.558 11.131 1.00 0.00 N ATOM 459 CA GLN A 31 5.733 11.481 12.239 1.00 0.00 C ATOM 460 C GLN A 31 6.362 12.782 11.750 1.00 0.00 C ATOM 461 O GLN A 31 7.580 12.882 11.623 1.00 0.00 O ATOM 462 CB GLN A 31 6.623 10.839 13.303 1.00 0.00 C ATOM 463 CG GLN A 31 7.877 10.192 12.737 1.00 0.00 C ATOM 464 CD GLN A 31 9.132 10.591 13.489 1.00 0.00 C ATOM 465 OE1 GLN A 31 9.885 9.739 13.960 1.00 0.00 O ATOM 466 NE2 GLN A 31 9.361 11.895 13.609 1.00 0.00 N ATOM 0 H GLN A 31 6.335 10.418 10.535 1.00 0.00 H new ATOM 0 HA GLN A 31 4.763 11.710 12.679 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.912 11.598 14.030 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.047 10.086 13.841 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.768 9.108 12.770 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.983 10.470 11.688 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.710 12.567 13.203 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.188 12.224 14.107 1.00 0.00 H new ATOM 475 N GLN A 32 5.520 13.774 11.477 1.00 0.00 N ATOM 476 CA GLN A 32 5.994 15.069 11.000 1.00 0.00 C ATOM 477 C GLN A 32 6.515 15.916 12.157 1.00 0.00 C ATOM 478 O GLN A 32 6.344 15.564 13.324 1.00 0.00 O ATOM 479 CB GLN A 32 4.873 15.811 10.273 1.00 0.00 C ATOM 480 CG GLN A 32 5.022 15.805 8.760 1.00 0.00 C ATOM 481 CD GLN A 32 4.093 14.817 8.086 1.00 0.00 C ATOM 482 OE1 GLN A 32 3.621 13.866 8.709 1.00 0.00 O ATOM 483 NE2 GLN A 32 3.823 15.035 6.804 1.00 0.00 N ATOM 0 H GLN A 32 4.507 13.706 11.578 1.00 0.00 H new ATOM 0 HA GLN A 32 6.814 14.894 10.303 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.917 15.358 10.538 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.845 16.843 10.623 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.823 16.805 8.375 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.053 15.563 8.501 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.235 15.836 6.325 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.203 14.402 6.299 1.00 0.00 H new ATOM 492 N ARG A 33 7.151 17.034 11.824 1.00 0.00 N ATOM 493 CA ARG A 33 7.699 17.933 12.834 1.00 0.00 C ATOM 494 C ARG A 33 7.828 19.350 12.288 1.00 0.00 C ATOM 495 O ARG A 33 7.579 19.598 11.109 1.00 0.00 O ATOM 496 CB ARG A 33 9.063 17.430 13.307 1.00 0.00 C ATOM 497 CG ARG A 33 9.061 16.916 14.738 1.00 0.00 C ATOM 498 CD ARG A 33 10.035 15.762 14.918 1.00 0.00 C ATOM 499 NE ARG A 33 10.135 15.341 16.312 1.00 0.00 N ATOM 500 CZ ARG A 33 10.885 14.324 16.721 1.00 0.00 C ATOM 501 NH1 ARG A 33 11.596 13.627 15.847 1.00 0.00 N ATOM 502 NH2 ARG A 33 10.923 14.002 18.007 1.00 0.00 N ATOM 0 H ARG A 33 7.300 17.340 10.862 1.00 0.00 H new ATOM 0 HA ARG A 33 7.012 17.951 13.680 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.396 16.632 12.644 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.789 18.239 13.222 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.326 17.726 15.417 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.056 16.591 15.007 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.714 14.918 14.307 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.020 16.060 14.558 1.00 0.00 H new ATOM 0 HE ARG A 33 9.599 15.856 17.011 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.568 13.871 14.857 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.171 12.847 16.164 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.376 14.535 18.683 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.499 13.221 18.320 1.00 0.00 H new ATOM 516 N ASN A 34 8.219 20.280 13.155 1.00 0.00 N ATOM 517 CA ASN A 34 8.381 21.675 12.760 1.00 0.00 C ATOM 518 C ASN A 34 9.581 21.842 11.832 1.00 0.00 C ATOM 519 O ASN A 34 10.716 21.978 12.287 1.00 0.00 O ATOM 520 CB ASN A 34 8.550 22.559 13.996 1.00 0.00 C ATOM 521 CG ASN A 34 7.222 23.019 14.564 1.00 0.00 C ATOM 522 OD1 ASN A 34 6.828 24.173 14.395 1.00 0.00 O ATOM 523 ND2 ASN A 34 6.525 22.116 15.245 1.00 0.00 N ATOM 0 H ASN A 34 8.429 20.092 14.135 1.00 0.00 H new ATOM 0 HA ASN A 34 7.484 21.982 12.222 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.098 22.009 14.761 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.152 23.430 13.737 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.625 22.368 15.653 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.890 21.171 15.360 1.00 0.00 H new ATOM 530 N GLY A 35 9.320 21.832 10.528 1.00 0.00 N ATOM 531 CA GLY A 35 10.388 21.984 9.557 1.00 0.00 C ATOM 532 C GLY A 35 10.081 21.291 8.244 1.00 0.00 C ATOM 533 O GLY A 35 8.916 21.083 7.904 1.00 0.00 O ATOM 0 H GLY A 35 8.389 21.721 10.127 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.559 23.045 9.373 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.311 21.579 9.971 1.00 0.00 H new ATOM 537 N ARG A 36 11.126 20.934 7.506 1.00 0.00 N ATOM 538 CA ARG A 36 10.962 20.263 6.221 1.00 0.00 C ATOM 539 C ARG A 36 11.212 18.764 6.356 1.00 0.00 C ATOM 540 O ARG A 36 10.409 17.948 5.903 1.00 0.00 O ATOM 541 CB ARG A 36 11.915 20.861 5.186 1.00 0.00 C ATOM 542 CG ARG A 36 11.277 21.077 3.823 1.00 0.00 C ATOM 543 CD ARG A 36 11.975 20.264 2.745 1.00 0.00 C ATOM 544 NE ARG A 36 11.859 20.886 1.428 1.00 0.00 N ATOM 545 CZ ARG A 36 12.291 20.319 0.307 1.00 0.00 C ATOM 546 NH1 ARG A 36 12.863 19.123 0.342 1.00 0.00 N ATOM 547 NH2 ARG A 36 12.149 20.948 -0.853 1.00 0.00 N ATOM 0 H ARG A 36 12.096 21.098 7.775 1.00 0.00 H new ATOM 0 HA ARG A 36 9.935 20.413 5.887 1.00 0.00 H new ATOM 0 HB2 ARG A 36 12.289 21.815 5.558 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.776 20.202 5.074 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.224 20.799 3.865 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.317 22.135 3.565 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.028 20.151 3.001 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.546 19.262 2.712 1.00 0.00 H new ATOM 0 HE ARG A 36 11.422 21.806 1.366 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.972 18.636 1.231 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.194 18.690 -0.521 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.708 21.867 -0.884 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.481 20.512 -1.713 1.00 0.00 H new ATOM 561 N LYS A 37 12.331 18.410 6.978 1.00 0.00 N ATOM 562 CA LYS A 37 12.687 17.009 7.172 1.00 0.00 C ATOM 563 C LYS A 37 11.581 16.263 7.911 1.00 0.00 C ATOM 564 O LYS A 37 11.044 16.752 8.906 1.00 0.00 O ATOM 565 CB LYS A 37 14.000 16.899 7.952 1.00 0.00 C ATOM 566 CG LYS A 37 14.621 15.514 7.905 1.00 0.00 C ATOM 567 CD LYS A 37 15.457 15.235 9.143 1.00 0.00 C ATOM 568 CE LYS A 37 15.967 13.803 9.159 1.00 0.00 C ATOM 569 NZ LYS A 37 17.302 13.698 9.811 1.00 0.00 N ATOM 0 H LYS A 37 13.007 19.073 7.356 1.00 0.00 H new ATOM 0 HA LYS A 37 12.814 16.553 6.190 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.712 17.621 7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.819 17.172 8.992 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.834 14.764 7.820 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.245 15.424 7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.301 15.924 9.176 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.860 15.420 10.036 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.254 13.169 9.687 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.031 13.429 8.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.616 12.706 9.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.988 14.283 9.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.235 14.031 10.794 1.00 0.00 H new ATOM 583 N THR A 38 11.244 15.074 7.419 1.00 0.00 N ATOM 584 CA THR A 38 10.202 14.261 8.033 1.00 0.00 C ATOM 585 C THR A 38 10.517 12.775 7.904 1.00 0.00 C ATOM 586 O THR A 38 11.293 12.368 7.038 1.00 0.00 O ATOM 587 CB THR A 38 8.826 14.539 7.399 1.00 0.00 C ATOM 588 OG1 THR A 38 7.811 13.798 8.086 1.00 0.00 O ATOM 589 CG2 THR A 38 8.823 14.166 5.925 1.00 0.00 C ATOM 0 H THR A 38 11.678 14.653 6.597 1.00 0.00 H new ATOM 0 HA THR A 38 10.169 14.533 9.088 1.00 0.00 H new ATOM 0 HB THR A 38 8.619 15.606 7.487 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.020 13.718 7.513 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.841 14.371 5.500 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.576 14.753 5.400 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.050 13.105 5.818 1.00 0.00 H new ATOM 597 N LEU A 39 9.911 11.970 8.769 1.00 0.00 N ATOM 598 CA LEU A 39 10.126 10.527 8.751 1.00 0.00 C ATOM 599 C LEU A 39 8.801 9.779 8.642 1.00 0.00 C ATOM 600 O LEU A 39 7.753 10.290 9.039 1.00 0.00 O ATOM 601 CB LEU A 39 10.871 10.086 10.012 1.00 0.00 C ATOM 602 CG LEU A 39 12.279 10.654 10.193 1.00 0.00 C ATOM 603 CD1 LEU A 39 12.227 11.994 10.911 1.00 0.00 C ATOM 604 CD2 LEU A 39 13.156 9.672 10.956 1.00 0.00 C ATOM 0 H LEU A 39 9.267 12.291 9.492 1.00 0.00 H new ATOM 0 HA LEU A 39 10.730 10.287 7.876 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.274 10.366 10.880 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.937 8.998 10.009 1.00 0.00 H new ATOM 0 HG LEU A 39 12.716 10.811 9.207 1.00 0.00 H new ATOM 0 HD11 LEU A 39 13.238 12.382 11.031 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.635 12.698 10.326 1.00 0.00 H new ATOM 0 HD13 LEU A 39 11.770 11.864 11.892 1.00 0.00 H new ATOM 0 HD21 LEU A 39 14.154 10.093 11.076 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.722 9.483 11.938 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.221 8.736 10.402 1.00 0.00 H new ATOM 616 N THR A 40 8.855 8.566 8.101 1.00 0.00 N ATOM 617 CA THR A 40 7.660 7.747 7.942 1.00 0.00 C ATOM 618 C THR A 40 7.999 6.262 7.991 1.00 0.00 C ATOM 619 O THR A 40 8.974 5.817 7.385 1.00 0.00 O ATOM 620 CB THR A 40 6.943 8.055 6.613 1.00 0.00 C ATOM 621 OG1 THR A 40 5.660 7.417 6.590 1.00 0.00 O ATOM 622 CG2 THR A 40 7.772 7.581 5.429 1.00 0.00 C ATOM 0 H THR A 40 9.714 8.129 7.766 1.00 0.00 H new ATOM 0 HA THR A 40 6.996 7.992 8.771 1.00 0.00 H new ATOM 0 HB THR A 40 6.813 9.135 6.536 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.557 6.919 5.752 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.246 7.809 4.502 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.736 8.089 5.433 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.929 6.505 5.502 1.00 0.00 H new ATOM 630 N THR A 41 7.188 5.498 8.716 1.00 0.00 N ATOM 631 CA THR A 41 7.403 4.063 8.844 1.00 0.00 C ATOM 632 C THR A 41 6.331 3.276 8.099 1.00 0.00 C ATOM 633 O THR A 41 5.170 3.685 8.047 1.00 0.00 O ATOM 634 CB THR A 41 7.410 3.626 10.321 1.00 0.00 C ATOM 635 OG1 THR A 41 6.359 4.289 11.033 1.00 0.00 O ATOM 636 CG2 THR A 41 8.748 3.939 10.972 1.00 0.00 C ATOM 0 H THR A 41 6.376 5.850 9.223 1.00 0.00 H new ATOM 0 HA THR A 41 8.377 3.850 8.404 1.00 0.00 H new ATOM 0 HB THR A 41 7.250 2.548 10.359 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.810 4.802 10.403 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.729 3.621 12.015 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.542 3.409 10.446 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.934 5.012 10.923 1.00 0.00 H new ATOM 644 N VAL A 42 6.726 2.145 7.522 1.00 0.00 N ATOM 645 CA VAL A 42 5.797 1.301 6.780 1.00 0.00 C ATOM 646 C VAL A 42 6.045 -0.176 7.069 1.00 0.00 C ATOM 647 O VAL A 42 7.178 -0.586 7.322 1.00 0.00 O ATOM 648 CB VAL A 42 5.909 1.541 5.264 1.00 0.00 C ATOM 649 CG1 VAL A 42 4.821 0.779 4.520 1.00 0.00 C ATOM 650 CG2 VAL A 42 5.836 3.029 4.954 1.00 0.00 C ATOM 0 H VAL A 42 7.683 1.793 7.554 1.00 0.00 H new ATOM 0 HA VAL A 42 4.793 1.570 7.110 1.00 0.00 H new ATOM 0 HB VAL A 42 6.876 1.169 4.925 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.916 0.961 3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.924 -0.288 4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.842 1.118 4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.917 3.181 3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.885 3.428 5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.654 3.546 5.456 1.00 0.00 H new ATOM 660 N GLN A 43 4.979 -0.968 7.030 1.00 0.00 N ATOM 661 CA GLN A 43 5.083 -2.400 7.288 1.00 0.00 C ATOM 662 C GLN A 43 4.062 -3.177 6.464 1.00 0.00 C ATOM 663 O GLN A 43 3.116 -2.602 5.928 1.00 0.00 O ATOM 664 CB GLN A 43 4.879 -2.687 8.777 1.00 0.00 C ATOM 665 CG GLN A 43 5.359 -4.065 9.202 1.00 0.00 C ATOM 666 CD GLN A 43 4.226 -5.063 9.332 1.00 0.00 C ATOM 667 OE1 GLN A 43 4.228 -6.112 8.686 1.00 0.00 O ATOM 668 NE2 GLN A 43 3.247 -4.743 10.171 1.00 0.00 N ATOM 0 H GLN A 43 4.034 -0.644 6.823 1.00 0.00 H new ATOM 0 HA GLN A 43 6.082 -2.725 6.996 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.407 -1.932 9.360 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.820 -2.591 9.015 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.082 -4.434 8.474 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.880 -3.986 10.156 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.284 -3.864 10.687 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.458 -5.376 10.299 1.00 0.00 H new ATOM 677 N GLY A 44 4.261 -4.487 6.366 1.00 0.00 N ATOM 678 CA GLY A 44 3.350 -5.321 5.604 1.00 0.00 C ATOM 679 C GLY A 44 3.930 -5.743 4.269 1.00 0.00 C ATOM 680 O GLY A 44 3.225 -6.300 3.426 1.00 0.00 O ATOM 0 H GLY A 44 5.037 -4.986 6.801 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.102 -6.209 6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.419 -4.779 5.437 1.00 0.00 H new ATOM 684 N VAL A 45 5.217 -5.477 4.073 1.00 0.00 N ATOM 685 CA VAL A 45 5.890 -5.832 2.830 1.00 0.00 C ATOM 686 C VAL A 45 6.067 -7.341 2.711 1.00 0.00 C ATOM 687 O VAL A 45 6.493 -8.017 3.648 1.00 0.00 O ATOM 688 CB VAL A 45 7.270 -5.155 2.727 1.00 0.00 C ATOM 689 CG1 VAL A 45 7.954 -5.532 1.420 1.00 0.00 C ATOM 690 CG2 VAL A 45 7.135 -3.645 2.849 1.00 0.00 C ATOM 0 H VAL A 45 5.815 -5.017 4.760 1.00 0.00 H new ATOM 0 HA VAL A 45 5.257 -5.479 2.016 1.00 0.00 H new ATOM 0 HB VAL A 45 7.890 -5.509 3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.927 -5.044 1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.087 -6.613 1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.338 -5.209 0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.120 -3.184 2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.497 -3.271 2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.691 -3.396 3.813 1.00 0.00 H new ATOM 700 N PRO A 46 5.730 -7.886 1.532 1.00 0.00 N ATOM 701 CA PRO A 46 5.844 -9.322 1.263 1.00 0.00 C ATOM 702 C PRO A 46 7.294 -9.782 1.173 1.00 0.00 C ATOM 703 O PRO A 46 8.214 -9.029 1.487 1.00 0.00 O ATOM 704 CB PRO A 46 5.146 -9.485 -0.089 1.00 0.00 C ATOM 705 CG PRO A 46 5.266 -8.150 -0.741 1.00 0.00 C ATOM 706 CD PRO A 46 5.214 -7.140 0.372 1.00 0.00 C ATOM 0 HA PRO A 46 5.405 -9.922 2.060 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.620 -10.262 -0.688 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.102 -9.772 0.037 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.200 -8.070 -1.297 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.456 -7.989 -1.453 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.827 -6.266 0.151 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.199 -6.782 0.543 1.00 0.00 H new ATOM 714 N GLU A 47 7.491 -11.024 0.741 1.00 0.00 N ATOM 715 CA GLU A 47 8.832 -11.584 0.610 1.00 0.00 C ATOM 716 C GLU A 47 9.448 -11.208 -0.733 1.00 0.00 C ATOM 717 O GLU A 47 10.666 -11.069 -0.851 1.00 0.00 O ATOM 718 CB GLU A 47 8.789 -13.106 0.758 1.00 0.00 C ATOM 719 CG GLU A 47 10.053 -13.694 1.363 1.00 0.00 C ATOM 720 CD GLU A 47 9.928 -13.939 2.854 1.00 0.00 C ATOM 721 OE1 GLU A 47 8.968 -14.624 3.264 1.00 0.00 O ATOM 722 OE2 GLU A 47 10.789 -13.443 3.610 1.00 0.00 O ATOM 0 H GLU A 47 6.740 -11.661 0.476 1.00 0.00 H new ATOM 0 HA GLU A 47 9.453 -11.167 1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.937 -13.378 1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.623 -13.554 -0.222 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.287 -14.634 0.863 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.888 -13.018 1.179 1.00 0.00 H new ATOM 729 N GLU A 48 8.600 -11.050 -1.744 1.00 0.00 N ATOM 730 CA GLU A 48 9.063 -10.692 -3.080 1.00 0.00 C ATOM 731 C GLU A 48 9.788 -9.350 -3.064 1.00 0.00 C ATOM 732 O GLU A 48 10.526 -9.019 -3.994 1.00 0.00 O ATOM 733 CB GLU A 48 7.884 -10.636 -4.054 1.00 0.00 C ATOM 734 CG GLU A 48 8.083 -11.482 -5.301 1.00 0.00 C ATOM 735 CD GLU A 48 6.810 -11.634 -6.112 1.00 0.00 C ATOM 736 OE1 GLU A 48 5.753 -11.909 -5.509 1.00 0.00 O ATOM 737 OE2 GLU A 48 6.873 -11.477 -7.349 1.00 0.00 O ATOM 0 H GLU A 48 7.590 -11.164 -1.664 1.00 0.00 H new ATOM 0 HA GLU A 48 9.763 -11.459 -3.411 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.983 -10.969 -3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.718 -9.600 -4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.854 -11.029 -5.924 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.445 -12.469 -5.012 1.00 0.00 H new ATOM 744 N TYR A 49 9.573 -8.580 -2.003 1.00 0.00 N ATOM 745 CA TYR A 49 10.203 -7.272 -1.866 1.00 0.00 C ATOM 746 C TYR A 49 10.958 -7.168 -0.545 1.00 0.00 C ATOM 747 O TYR A 49 10.356 -6.998 0.515 1.00 0.00 O ATOM 748 CB TYR A 49 9.153 -6.165 -1.957 1.00 0.00 C ATOM 749 CG TYR A 49 9.594 -4.977 -2.781 1.00 0.00 C ATOM 750 CD1 TYR A 49 10.915 -4.547 -2.764 1.00 0.00 C ATOM 751 CD2 TYR A 49 8.689 -4.284 -3.575 1.00 0.00 C ATOM 752 CE1 TYR A 49 11.322 -3.461 -3.515 1.00 0.00 C ATOM 753 CE2 TYR A 49 9.089 -3.198 -4.331 1.00 0.00 C ATOM 754 CZ TYR A 49 10.406 -2.792 -4.298 1.00 0.00 C ATOM 755 OH TYR A 49 10.808 -1.711 -5.048 1.00 0.00 O ATOM 0 H TYR A 49 8.967 -8.839 -1.225 1.00 0.00 H new ATOM 0 HA TYR A 49 10.917 -7.152 -2.681 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.240 -6.576 -2.388 1.00 0.00 H new ATOM 0 HB3 TYR A 49 8.906 -5.827 -0.951 1.00 0.00 H new ATOM 0 HD1 TYR A 49 11.636 -5.070 -2.153 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.656 -4.599 -3.602 1.00 0.00 H new ATOM 0 HE1 TYR A 49 12.352 -3.138 -3.489 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.374 -2.670 -4.944 1.00 0.00 H new ATOM 0 HH TYR A 49 10.042 -1.354 -5.544 1.00 0.00 H new ATOM 765 N ASP A 50 12.280 -7.269 -0.618 1.00 0.00 N ATOM 766 CA ASP A 50 13.121 -7.183 0.571 1.00 0.00 C ATOM 767 C ASP A 50 13.496 -5.735 0.868 1.00 0.00 C ATOM 768 O ASP A 50 13.237 -4.837 0.065 1.00 0.00 O ATOM 769 CB ASP A 50 14.385 -8.025 0.391 1.00 0.00 C ATOM 770 CG ASP A 50 14.620 -8.974 1.551 1.00 0.00 C ATOM 771 OD1 ASP A 50 15.012 -8.496 2.636 1.00 0.00 O ATOM 772 OD2 ASP A 50 14.411 -10.192 1.371 1.00 0.00 O ATOM 0 H ASP A 50 12.793 -7.411 -1.488 1.00 0.00 H new ATOM 0 HA ASP A 50 12.553 -7.572 1.416 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.308 -8.598 -0.533 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.246 -7.365 0.286 1.00 0.00 H new ATOM 777 N LEU A 51 14.110 -5.513 2.026 1.00 0.00 N ATOM 778 CA LEU A 51 14.522 -4.173 2.430 1.00 0.00 C ATOM 779 C LEU A 51 15.692 -3.685 1.582 1.00 0.00 C ATOM 780 O LEU A 51 15.921 -2.481 1.455 1.00 0.00 O ATOM 781 CB LEU A 51 14.909 -4.162 3.910 1.00 0.00 C ATOM 782 CG LEU A 51 13.794 -3.798 4.891 1.00 0.00 C ATOM 783 CD1 LEU A 51 13.258 -2.406 4.599 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.675 -4.827 4.832 1.00 0.00 C ATOM 0 H LEU A 51 14.333 -6.244 2.701 1.00 0.00 H new ATOM 0 HA LEU A 51 13.680 -3.498 2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.290 -5.149 4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 51 15.730 -3.457 4.045 1.00 0.00 H new ATOM 0 HG LEU A 51 14.209 -3.800 5.899 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.465 -2.165 5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 51 14.064 -1.678 4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.860 -2.375 3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.890 -4.552 5.537 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.262 -4.859 3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.069 -5.809 5.093 1.00 0.00 H new ATOM 796 N LYS A 52 16.428 -4.626 1.001 1.00 0.00 N ATOM 797 CA LYS A 52 17.573 -4.293 0.162 1.00 0.00 C ATOM 798 C LYS A 52 17.122 -3.876 -1.234 1.00 0.00 C ATOM 799 O LYS A 52 17.733 -3.010 -1.862 1.00 0.00 O ATOM 800 CB LYS A 52 18.527 -5.486 0.066 1.00 0.00 C ATOM 801 CG LYS A 52 19.840 -5.161 -0.623 1.00 0.00 C ATOM 802 CD LYS A 52 20.882 -6.241 -0.374 1.00 0.00 C ATOM 803 CE LYS A 52 22.269 -5.783 -0.795 1.00 0.00 C ATOM 804 NZ LYS A 52 23.025 -6.866 -1.483 1.00 0.00 N ATOM 0 H LYS A 52 16.252 -5.626 1.096 1.00 0.00 H new ATOM 0 HA LYS A 52 18.096 -3.454 0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.735 -5.856 1.070 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.033 -6.293 -0.475 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.673 -5.055 -1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.214 -4.203 -0.262 1.00 0.00 H new ATOM 0 HD2 LYS A 52 20.890 -6.504 0.684 1.00 0.00 H new ATOM 0 HD3 LYS A 52 20.612 -7.142 -0.924 1.00 0.00 H new ATOM 0 HE2 LYS A 52 22.182 -4.923 -1.459 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.825 -5.453 0.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 23.965 -6.515 -1.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 23.131 -7.677 -0.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 22.508 -7.163 -2.335 1.00 0.00 H new ATOM 818 N ARG A 53 16.047 -4.495 -1.713 1.00 0.00 N ATOM 819 CA ARG A 53 15.515 -4.187 -3.035 1.00 0.00 C ATOM 820 C ARG A 53 14.781 -2.850 -3.027 1.00 0.00 C ATOM 821 O ARG A 53 14.816 -2.105 -4.007 1.00 0.00 O ATOM 822 CB ARG A 53 14.570 -5.297 -3.497 1.00 0.00 C ATOM 823 CG ARG A 53 14.097 -5.134 -4.933 1.00 0.00 C ATOM 824 CD ARG A 53 15.135 -5.643 -5.923 1.00 0.00 C ATOM 825 NE ARG A 53 14.618 -6.734 -6.744 1.00 0.00 N ATOM 826 CZ ARG A 53 15.391 -7.547 -7.455 1.00 0.00 C ATOM 827 NH1 ARG A 53 16.709 -7.394 -7.444 1.00 0.00 N ATOM 828 NH2 ARG A 53 14.847 -8.518 -8.179 1.00 0.00 N ATOM 0 H ARG A 53 15.528 -5.212 -1.206 1.00 0.00 H new ATOM 0 HA ARG A 53 16.352 -4.118 -3.730 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.075 -6.258 -3.396 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.702 -5.322 -2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.162 -5.677 -5.073 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.888 -4.083 -5.131 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.454 -4.824 -6.567 1.00 0.00 H new ATOM 0 HD3 ARG A 53 16.017 -5.984 -5.381 1.00 0.00 H new ATOM 0 HE ARG A 53 13.609 -6.880 -6.773 1.00 0.00 H new ATOM 0 HH11 ARG A 53 17.131 -6.650 -6.888 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.300 -8.020 -7.991 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.834 -8.640 -8.190 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.442 -9.142 -8.725 1.00 0.00 H new ATOM 842 N ILE A 54 14.118 -2.551 -1.915 1.00 0.00 N ATOM 843 CA ILE A 54 13.376 -1.304 -1.781 1.00 0.00 C ATOM 844 C ILE A 54 14.306 -0.145 -1.434 1.00 0.00 C ATOM 845 O ILE A 54 14.064 0.998 -1.823 1.00 0.00 O ATOM 846 CB ILE A 54 12.285 -1.411 -0.699 1.00 0.00 C ATOM 847 CG1 ILE A 54 11.406 -0.159 -0.704 1.00 0.00 C ATOM 848 CG2 ILE A 54 12.914 -1.618 0.669 1.00 0.00 C ATOM 849 CD1 ILE A 54 9.929 -0.457 -0.577 1.00 0.00 C ATOM 0 H ILE A 54 14.080 -3.155 -1.094 1.00 0.00 H new ATOM 0 HA ILE A 54 12.904 -1.113 -2.745 1.00 0.00 H new ATOM 0 HB ILE A 54 11.657 -2.273 -0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.709 0.491 0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.579 0.393 -1.628 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.130 -1.692 1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 54 13.500 -2.537 0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.563 -0.774 0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 54 9.367 0.477 -0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.611 -1.082 -1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.743 -0.982 0.360 1.00 0.00 H new ATOM 861 N LEU A 55 15.372 -0.449 -0.701 1.00 0.00 N ATOM 862 CA LEU A 55 16.342 0.566 -0.304 1.00 0.00 C ATOM 863 C LEU A 55 17.257 0.931 -1.467 1.00 0.00 C ATOM 864 O LEU A 55 17.738 2.059 -1.562 1.00 0.00 O ATOM 865 CB LEU A 55 17.175 0.067 0.879 1.00 0.00 C ATOM 866 CG LEU A 55 18.439 0.866 1.193 1.00 0.00 C ATOM 867 CD1 LEU A 55 18.112 2.343 1.349 1.00 0.00 C ATOM 868 CD2 LEU A 55 19.111 0.331 2.449 1.00 0.00 C ATOM 0 H LEU A 55 15.586 -1.390 -0.370 1.00 0.00 H new ATOM 0 HA LEU A 55 15.794 1.459 -0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.542 0.062 1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.461 -0.967 0.686 1.00 0.00 H new ATOM 0 HG LEU A 55 19.132 0.754 0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 55 19.024 2.896 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 55 17.677 2.719 0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 55 17.400 2.474 2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 55 20.009 0.912 2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 55 18.424 0.411 3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 55 19.382 -0.714 2.300 1.00 0.00 H new ATOM 880 N LYS A 56 17.492 -0.032 -2.353 1.00 0.00 N ATOM 881 CA LYS A 56 18.346 0.187 -3.514 1.00 0.00 C ATOM 882 C LYS A 56 17.587 0.916 -4.618 1.00 0.00 C ATOM 883 O LYS A 56 18.135 1.791 -5.289 1.00 0.00 O ATOM 884 CB LYS A 56 18.877 -1.148 -4.041 1.00 0.00 C ATOM 885 CG LYS A 56 19.935 -0.997 -5.121 1.00 0.00 C ATOM 886 CD LYS A 56 20.997 -2.078 -5.016 1.00 0.00 C ATOM 887 CE LYS A 56 21.884 -2.110 -6.251 1.00 0.00 C ATOM 888 NZ LYS A 56 22.810 -3.276 -6.238 1.00 0.00 N ATOM 0 H LYS A 56 17.102 -0.972 -2.288 1.00 0.00 H new ATOM 0 HA LYS A 56 19.186 0.808 -3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 56 19.296 -1.716 -3.211 1.00 0.00 H new ATOM 0 HB3 LYS A 56 18.045 -1.730 -4.438 1.00 0.00 H new ATOM 0 HG2 LYS A 56 19.463 -1.043 -6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 56 20.403 -0.016 -5.038 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.609 -1.903 -4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.518 -3.048 -4.885 1.00 0.00 H new ATOM 0 HE2 LYS A 56 21.261 -2.151 -7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 56 22.462 -1.188 -6.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 23.397 -3.262 -7.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.422 -3.224 -5.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 22.258 -4.157 -6.210 1.00 0.00 H new ATOM 902 N VAL A 57 16.323 0.551 -4.801 1.00 0.00 N ATOM 903 CA VAL A 57 15.487 1.172 -5.823 1.00 0.00 C ATOM 904 C VAL A 57 15.071 2.579 -5.410 1.00 0.00 C ATOM 905 O VAL A 57 15.025 3.492 -6.236 1.00 0.00 O ATOM 906 CB VAL A 57 14.225 0.335 -6.101 1.00 0.00 C ATOM 907 CG1 VAL A 57 13.290 1.075 -7.045 1.00 0.00 C ATOM 908 CG2 VAL A 57 14.602 -1.025 -6.668 1.00 0.00 C ATOM 0 H VAL A 57 15.854 -0.172 -4.255 1.00 0.00 H new ATOM 0 HA VAL A 57 16.085 1.225 -6.733 1.00 0.00 H new ATOM 0 HB VAL A 57 13.700 0.177 -5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 57 12.404 0.468 -7.230 1.00 0.00 H new ATOM 0 HG12 VAL A 57 12.993 2.022 -6.595 1.00 0.00 H new ATOM 0 HG13 VAL A 57 13.802 1.266 -7.988 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.698 -1.603 -6.858 1.00 0.00 H new ATOM 0 HG22 VAL A 57 15.150 -0.891 -7.601 1.00 0.00 H new ATOM 0 HG23 VAL A 57 15.229 -1.557 -5.952 1.00 0.00 H new ATOM 918 N LEU A 58 14.767 2.748 -4.128 1.00 0.00 N ATOM 919 CA LEU A 58 14.352 4.045 -3.605 1.00 0.00 C ATOM 920 C LEU A 58 15.532 5.013 -3.554 1.00 0.00 C ATOM 921 O LEU A 58 15.400 6.189 -3.896 1.00 0.00 O ATOM 922 CB LEU A 58 13.749 3.885 -2.209 1.00 0.00 C ATOM 923 CG LEU A 58 12.341 3.290 -2.151 1.00 0.00 C ATOM 924 CD1 LEU A 58 11.907 3.089 -0.707 1.00 0.00 C ATOM 925 CD2 LEU A 58 11.355 4.183 -2.887 1.00 0.00 C ATOM 0 H LEU A 58 14.800 2.003 -3.432 1.00 0.00 H new ATOM 0 HA LEU A 58 13.596 4.455 -4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.413 3.254 -1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.729 4.864 -1.729 1.00 0.00 H new ATOM 0 HG LEU A 58 12.356 2.318 -2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.903 2.665 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 58 12.599 2.409 -0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.907 4.049 -0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.358 3.744 -2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.342 5.170 -2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.657 4.276 -3.930 1.00 0.00 H new ATOM 937 N LYS A 59 16.684 4.510 -3.125 1.00 0.00 N ATOM 938 CA LYS A 59 17.888 5.327 -3.032 1.00 0.00 C ATOM 939 C LYS A 59 18.393 5.713 -4.419 1.00 0.00 C ATOM 940 O LYS A 59 18.955 6.791 -4.608 1.00 0.00 O ATOM 941 CB LYS A 59 18.982 4.576 -2.271 1.00 0.00 C ATOM 942 CG LYS A 59 20.282 5.352 -2.148 1.00 0.00 C ATOM 943 CD LYS A 59 21.353 4.538 -1.442 1.00 0.00 C ATOM 944 CE LYS A 59 22.711 5.220 -1.517 1.00 0.00 C ATOM 945 NZ LYS A 59 23.698 4.593 -0.596 1.00 0.00 N ATOM 0 H LYS A 59 16.810 3.540 -2.836 1.00 0.00 H new ATOM 0 HA LYS A 59 17.636 6.238 -2.489 1.00 0.00 H new ATOM 0 HB2 LYS A 59 18.617 4.334 -1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 59 19.180 3.630 -2.776 1.00 0.00 H new ATOM 0 HG2 LYS A 59 20.633 5.634 -3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 59 20.104 6.276 -1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 59 21.074 4.395 -0.398 1.00 0.00 H new ATOM 0 HD3 LYS A 59 21.416 3.548 -1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 59 23.086 5.171 -2.539 1.00 0.00 H new ATOM 0 HE3 LYS A 59 22.602 6.276 -1.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 24.610 5.086 -0.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 23.352 4.662 0.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 23.822 3.592 -0.849 1.00 0.00 H new ATOM 959 N LYS A 60 18.187 4.826 -5.386 1.00 0.00 N ATOM 960 CA LYS A 60 18.618 5.073 -6.757 1.00 0.00 C ATOM 961 C LYS A 60 17.576 5.891 -7.515 1.00 0.00 C ATOM 962 O LYS A 60 17.909 6.631 -8.441 1.00 0.00 O ATOM 963 CB LYS A 60 18.869 3.750 -7.482 1.00 0.00 C ATOM 964 CG LYS A 60 20.177 3.083 -7.094 1.00 0.00 C ATOM 965 CD LYS A 60 21.327 3.561 -7.965 1.00 0.00 C ATOM 966 CE LYS A 60 22.599 3.758 -7.152 1.00 0.00 C ATOM 967 NZ LYS A 60 23.506 4.758 -7.778 1.00 0.00 N ATOM 0 H LYS A 60 17.724 3.928 -5.246 1.00 0.00 H new ATOM 0 HA LYS A 60 19.547 5.642 -6.722 1.00 0.00 H new ATOM 0 HB2 LYS A 60 18.046 3.067 -7.270 1.00 0.00 H new ATOM 0 HB3 LYS A 60 18.867 3.928 -8.557 1.00 0.00 H new ATOM 0 HG2 LYS A 60 20.399 3.296 -6.048 1.00 0.00 H new ATOM 0 HG3 LYS A 60 20.076 2.002 -7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 60 21.510 2.836 -8.758 1.00 0.00 H new ATOM 0 HD3 LYS A 60 21.054 4.499 -8.448 1.00 0.00 H new ATOM 0 HE2 LYS A 60 22.340 4.083 -6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 60 23.120 2.805 -7.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 24.361 4.864 -7.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 23.774 4.436 -8.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 23.018 5.674 -7.847 1.00 0.00 H new ATOM 981 N ASP A 61 16.317 5.751 -7.117 1.00 0.00 N ATOM 982 CA ASP A 61 15.227 6.479 -7.758 1.00 0.00 C ATOM 983 C ASP A 61 15.317 7.971 -7.454 1.00 0.00 C ATOM 984 O ASP A 61 15.554 8.785 -8.345 1.00 0.00 O ATOM 985 CB ASP A 61 13.877 5.930 -7.293 1.00 0.00 C ATOM 986 CG ASP A 61 13.347 4.844 -8.208 1.00 0.00 C ATOM 987 OD1 ASP A 61 14.166 4.058 -8.730 1.00 0.00 O ATOM 988 OD2 ASP A 61 12.115 4.780 -8.401 1.00 0.00 O ATOM 0 H ASP A 61 16.025 5.140 -6.354 1.00 0.00 H new ATOM 0 HA ASP A 61 15.314 6.341 -8.836 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.978 5.533 -6.283 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.154 6.744 -7.244 1.00 0.00 H new ATOM 993 N PHE A 62 15.125 8.323 -6.186 1.00 0.00 N ATOM 994 CA PHE A 62 15.182 9.718 -5.764 1.00 0.00 C ATOM 995 C PHE A 62 15.882 9.849 -4.414 1.00 0.00 C ATOM 996 O PHE A 62 15.554 10.725 -3.615 1.00 0.00 O ATOM 997 CB PHE A 62 13.772 10.305 -5.678 1.00 0.00 C ATOM 998 CG PHE A 62 13.067 10.369 -7.002 1.00 0.00 C ATOM 999 CD1 PHE A 62 13.458 11.285 -7.966 1.00 0.00 C ATOM 1000 CD2 PHE A 62 12.016 9.511 -7.285 1.00 0.00 C ATOM 1001 CE1 PHE A 62 12.810 11.345 -9.186 1.00 0.00 C ATOM 1002 CE2 PHE A 62 11.366 9.567 -8.503 1.00 0.00 C ATOM 1003 CZ PHE A 62 11.764 10.485 -9.456 1.00 0.00 C ATOM 0 H PHE A 62 14.929 7.662 -5.434 1.00 0.00 H new ATOM 0 HA PHE A 62 15.755 10.273 -6.507 1.00 0.00 H new ATOM 0 HB2 PHE A 62 13.179 9.705 -4.988 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.830 11.309 -5.258 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.277 11.959 -7.762 1.00 0.00 H new ATOM 0 HD2 PHE A 62 11.701 8.790 -6.545 1.00 0.00 H new ATOM 0 HE1 PHE A 62 13.122 12.065 -9.928 1.00 0.00 H new ATOM 0 HE2 PHE A 62 10.547 8.894 -8.710 1.00 0.00 H new ATOM 0 HZ PHE A 62 11.258 10.530 -10.409 1.00 0.00 H new ATOM 1013 N ALA A 63 16.850 8.972 -4.170 1.00 0.00 N ATOM 1014 CA ALA A 63 17.599 8.990 -2.918 1.00 0.00 C ATOM 1015 C ALA A 63 16.661 8.998 -1.717 1.00 0.00 C ATOM 1016 O ALA A 63 16.625 9.960 -0.950 1.00 0.00 O ATOM 1017 CB ALA A 63 18.524 10.197 -2.874 1.00 0.00 C ATOM 0 H ALA A 63 17.134 8.241 -4.822 1.00 0.00 H new ATOM 0 HA ALA A 63 18.200 8.082 -2.871 1.00 0.00 H new ATOM 0 HB1 ALA A 63 19.077 10.198 -1.934 1.00 0.00 H new ATOM 0 HB2 ALA A 63 19.225 10.149 -3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 63 17.934 11.110 -2.949 1.00 0.00 H new ATOM 1023 N CYS A 64 15.902 7.918 -1.559 1.00 0.00 N ATOM 1024 CA CYS A 64 14.961 7.801 -0.450 1.00 0.00 C ATOM 1025 C CYS A 64 15.484 6.836 0.608 1.00 0.00 C ATOM 1026 O CYS A 64 15.305 5.623 0.500 1.00 0.00 O ATOM 1027 CB CYS A 64 13.598 7.328 -0.960 1.00 0.00 C ATOM 1028 SG CYS A 64 12.252 8.498 -0.661 1.00 0.00 S ATOM 0 H CYS A 64 15.920 7.112 -2.184 1.00 0.00 H new ATOM 0 HA CYS A 64 14.850 8.785 0.006 1.00 0.00 H new ATOM 0 HB2 CYS A 64 13.669 7.138 -2.031 1.00 0.00 H new ATOM 0 HB3 CYS A 64 13.353 6.379 -0.483 1.00 0.00 H new ATOM 0 HG CYS A 64 11.141 8.011 -1.129 1.00 0.00 H new ATOM 1034 N ASN A 65 16.134 7.383 1.630 1.00 0.00 N ATOM 1035 CA ASN A 65 16.687 6.569 2.706 1.00 0.00 C ATOM 1036 C ASN A 65 15.639 5.603 3.253 1.00 0.00 C ATOM 1037 O ASN A 65 14.596 6.023 3.756 1.00 0.00 O ATOM 1038 CB ASN A 65 17.209 7.463 3.833 1.00 0.00 C ATOM 1039 CG ASN A 65 18.712 7.355 4.008 1.00 0.00 C ATOM 1040 OD1 ASN A 65 19.206 6.449 4.678 1.00 0.00 O ATOM 1041 ND2 ASN A 65 19.446 8.281 3.403 1.00 0.00 N ATOM 0 H ASN A 65 16.291 8.385 1.736 1.00 0.00 H new ATOM 0 HA ASN A 65 17.514 5.987 2.299 1.00 0.00 H new ATOM 0 HB2 ASN A 65 16.944 8.499 3.623 1.00 0.00 H new ATOM 0 HB3 ASN A 65 16.717 7.191 4.767 1.00 0.00 H new ATOM 0 HD21 ASN A 65 20.463 8.259 3.484 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.993 9.014 2.857 1.00 0.00 H new ATOM 1048 N GLY A 66 15.923 4.309 3.151 1.00 0.00 N ATOM 1049 CA GLY A 66 14.996 3.305 3.638 1.00 0.00 C ATOM 1050 C GLY A 66 15.648 2.330 4.598 1.00 0.00 C ATOM 1051 O GLY A 66 16.132 1.276 4.188 1.00 0.00 O ATOM 0 H GLY A 66 16.779 3.938 2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.161 3.797 4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.583 2.756 2.792 1.00 0.00 H new ATOM 1055 N ASN A 67 15.665 2.684 5.880 1.00 0.00 N ATOM 1056 CA ASN A 67 16.267 1.833 6.899 1.00 0.00 C ATOM 1057 C ASN A 67 15.232 0.881 7.491 1.00 0.00 C ATOM 1058 O ASN A 67 14.047 0.952 7.163 1.00 0.00 O ATOM 1059 CB ASN A 67 16.882 2.689 8.009 1.00 0.00 C ATOM 1060 CG ASN A 67 17.496 3.969 7.477 1.00 0.00 C ATOM 1061 OD1 ASN A 67 17.074 5.070 7.837 1.00 0.00 O ATOM 1062 ND2 ASN A 67 18.498 3.833 6.617 1.00 0.00 N ATOM 0 H ASN A 67 15.269 3.554 6.237 1.00 0.00 H new ATOM 0 HA ASN A 67 17.052 1.242 6.427 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.114 2.935 8.742 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.646 2.111 8.529 1.00 0.00 H new ATOM 0 HD21 ASN A 67 18.951 4.659 6.227 1.00 0.00 H new ATOM 0 HD22 ASN A 67 18.815 2.902 6.347 1.00 0.00 H new ATOM 1069 N ILE A 68 15.689 -0.010 8.365 1.00 0.00 N ATOM 1070 CA ILE A 68 14.802 -0.975 9.004 1.00 0.00 C ATOM 1071 C ILE A 68 14.898 -0.887 10.524 1.00 0.00 C ATOM 1072 O ILE A 68 15.952 -0.568 11.073 1.00 0.00 O ATOM 1073 CB ILE A 68 15.128 -2.415 8.563 1.00 0.00 C ATOM 1074 CG1 ILE A 68 13.965 -3.349 8.899 1.00 0.00 C ATOM 1075 CG2 ILE A 68 16.409 -2.896 9.228 1.00 0.00 C ATOM 1076 CD1 ILE A 68 12.695 -3.031 8.142 1.00 0.00 C ATOM 0 H ILE A 68 16.667 -0.084 8.646 1.00 0.00 H new ATOM 0 HA ILE A 68 13.787 -0.728 8.691 1.00 0.00 H new ATOM 0 HB ILE A 68 15.277 -2.424 7.483 1.00 0.00 H new ATOM 0 HG12 ILE A 68 14.260 -4.376 8.682 1.00 0.00 H new ATOM 0 HG13 ILE A 68 13.764 -3.295 9.969 1.00 0.00 H new ATOM 0 HG21 ILE A 68 16.626 -3.915 8.906 1.00 0.00 H new ATOM 0 HG22 ILE A 68 17.234 -2.243 8.944 1.00 0.00 H new ATOM 0 HG23 ILE A 68 16.287 -2.876 10.311 1.00 0.00 H new ATOM 0 HD11 ILE A 68 11.914 -3.734 8.431 1.00 0.00 H new ATOM 0 HD12 ILE A 68 12.375 -2.016 8.378 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.879 -3.114 7.071 1.00 0.00 H new ATOM 1088 N VAL A 69 13.789 -1.174 11.198 1.00 0.00 N ATOM 1089 CA VAL A 69 13.747 -1.130 12.655 1.00 0.00 C ATOM 1090 C VAL A 69 12.959 -2.308 13.218 1.00 0.00 C ATOM 1091 O VAL A 69 12.281 -3.025 12.481 1.00 0.00 O ATOM 1092 CB VAL A 69 13.119 0.182 13.159 1.00 0.00 C ATOM 1093 CG1 VAL A 69 13.669 0.545 14.530 1.00 0.00 C ATOM 1094 CG2 VAL A 69 13.362 1.305 12.163 1.00 0.00 C ATOM 0 H VAL A 69 12.908 -1.439 10.758 1.00 0.00 H new ATOM 0 HA VAL A 69 14.778 -1.187 13.003 1.00 0.00 H new ATOM 0 HB VAL A 69 12.043 0.037 13.253 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.214 1.475 14.870 1.00 0.00 H new ATOM 0 HG12 VAL A 69 13.438 -0.252 15.237 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.750 0.672 14.467 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.911 2.225 12.535 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.434 1.452 12.035 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.915 1.044 11.204 1.00 0.00 H new ATOM 1104 N LYS A 70 13.052 -2.502 14.529 1.00 0.00 N ATOM 1105 CA LYS A 70 12.346 -3.592 15.193 1.00 0.00 C ATOM 1106 C LYS A 70 11.545 -3.074 16.383 1.00 0.00 C ATOM 1107 O LYS A 70 12.111 -2.643 17.386 1.00 0.00 O ATOM 1108 CB LYS A 70 13.339 -4.659 15.660 1.00 0.00 C ATOM 1109 CG LYS A 70 12.680 -5.842 16.351 1.00 0.00 C ATOM 1110 CD LYS A 70 13.650 -6.559 17.275 1.00 0.00 C ATOM 1111 CE LYS A 70 13.442 -8.065 17.239 1.00 0.00 C ATOM 1112 NZ LYS A 70 14.674 -8.804 17.631 1.00 0.00 N ATOM 0 H LYS A 70 13.609 -1.919 15.153 1.00 0.00 H new ATOM 0 HA LYS A 70 11.655 -4.035 14.476 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.904 -5.019 14.800 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.055 -4.203 16.343 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.819 -5.497 16.923 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.306 -6.540 15.602 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.674 -6.325 16.983 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.519 -6.197 18.295 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.627 -8.335 17.911 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.141 -8.366 16.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.492 -9.827 17.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.445 -8.566 16.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.947 -8.536 18.598 1.00 0.00 H new ATOM 1126 N ASP A 71 10.222 -3.123 16.264 1.00 0.00 N ATOM 1127 CA ASP A 71 9.341 -2.661 17.330 1.00 0.00 C ATOM 1128 C ASP A 71 8.840 -3.835 18.166 1.00 0.00 C ATOM 1129 O ASP A 71 8.844 -4.986 17.731 1.00 0.00 O ATOM 1130 CB ASP A 71 8.156 -1.893 16.745 1.00 0.00 C ATOM 1131 CG ASP A 71 8.387 -0.394 16.730 1.00 0.00 C ATOM 1132 OD1 ASP A 71 9.562 0.025 16.679 1.00 0.00 O ATOM 1133 OD2 ASP A 71 7.392 0.360 16.770 1.00 0.00 O ATOM 0 H ASP A 71 9.737 -3.478 15.440 1.00 0.00 H new ATOM 0 HA ASP A 71 9.911 -1.994 17.976 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.969 -2.239 15.728 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.261 -2.114 17.327 1.00 0.00 H new ATOM 1138 N PRO A 72 8.398 -3.538 19.398 1.00 0.00 N ATOM 1139 CA PRO A 72 7.886 -4.554 20.321 1.00 0.00 C ATOM 1140 C PRO A 72 6.544 -5.124 19.872 1.00 0.00 C ATOM 1141 O PRO A 72 6.037 -6.079 20.457 1.00 0.00 O ATOM 1142 CB PRO A 72 7.727 -3.789 21.638 1.00 0.00 C ATOM 1143 CG PRO A 72 7.545 -2.369 21.231 1.00 0.00 C ATOM 1144 CD PRO A 72 8.364 -2.186 19.983 1.00 0.00 C ATOM 0 HA PRO A 72 8.552 -5.414 20.389 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.870 -4.151 22.205 1.00 0.00 H new ATOM 0 HB3 PRO A 72 8.604 -3.909 22.274 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.494 -2.149 21.044 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.877 -1.692 22.018 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.907 -1.466 19.304 1.00 0.00 H new ATOM 0 HD3 PRO A 72 9.366 -1.820 20.209 1.00 0.00 H new ATOM 1152 N GLU A 73 5.976 -4.530 18.826 1.00 0.00 N ATOM 1153 CA GLU A 73 4.693 -4.980 18.298 1.00 0.00 C ATOM 1154 C GLU A 73 4.889 -6.054 17.231 1.00 0.00 C ATOM 1155 O GLU A 73 4.083 -6.975 17.108 1.00 0.00 O ATOM 1156 CB GLU A 73 3.915 -3.799 17.712 1.00 0.00 C ATOM 1157 CG GLU A 73 2.494 -4.148 17.302 1.00 0.00 C ATOM 1158 CD GLU A 73 1.489 -3.894 18.408 1.00 0.00 C ATOM 1159 OE1 GLU A 73 1.851 -4.065 19.590 1.00 0.00 O ATOM 1160 OE2 GLU A 73 0.340 -3.522 18.091 1.00 0.00 O ATOM 0 H GLU A 73 6.383 -3.738 18.329 1.00 0.00 H new ATOM 0 HA GLU A 73 4.122 -5.410 19.121 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.885 -2.995 18.447 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.451 -3.417 16.843 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.219 -3.563 16.425 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.451 -5.198 17.011 1.00 0.00 H new ATOM 1167 N MET A 74 5.965 -5.924 16.462 1.00 0.00 N ATOM 1168 CA MET A 74 6.268 -6.885 15.407 1.00 0.00 C ATOM 1169 C MET A 74 7.774 -7.096 15.281 1.00 0.00 C ATOM 1170 O MET A 74 8.281 -8.184 15.551 1.00 0.00 O ATOM 1171 CB MET A 74 5.696 -6.403 14.072 1.00 0.00 C ATOM 1172 CG MET A 74 5.063 -7.512 13.248 1.00 0.00 C ATOM 1173 SD MET A 74 3.432 -7.983 13.855 1.00 0.00 S ATOM 1174 CE MET A 74 3.461 -9.751 13.565 1.00 0.00 C ATOM 0 H MET A 74 6.640 -5.165 16.549 1.00 0.00 H new ATOM 0 HA MET A 74 5.806 -7.836 15.671 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.950 -5.632 14.263 1.00 0.00 H new ATOM 0 HB3 MET A 74 6.493 -5.939 13.491 1.00 0.00 H new ATOM 0 HG2 MET A 74 4.981 -7.187 12.211 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.716 -8.385 13.258 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.517 -10.189 13.890 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.602 -9.943 12.501 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.281 -10.198 14.127 1.00 0.00 H new ATOM 1184 N GLY A 75 8.482 -6.051 14.869 1.00 0.00 N ATOM 1185 CA GLY A 75 9.922 -6.144 14.713 1.00 0.00 C ATOM 1186 C GLY A 75 10.357 -6.052 13.263 1.00 0.00 C ATOM 1187 O GLY A 75 11.334 -6.682 12.861 1.00 0.00 O ATOM 0 H GLY A 75 8.085 -5.140 14.640 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.398 -5.346 15.283 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.269 -7.087 15.134 1.00 0.00 H new ATOM 1191 N GLU A 76 9.628 -5.267 12.477 1.00 0.00 N ATOM 1192 CA GLU A 76 9.943 -5.097 11.064 1.00 0.00 C ATOM 1193 C GLU A 76 9.465 -3.739 10.559 1.00 0.00 C ATOM 1194 O GLU A 76 8.954 -3.623 9.444 1.00 0.00 O ATOM 1195 CB GLU A 76 9.301 -6.215 10.238 1.00 0.00 C ATOM 1196 CG GLU A 76 10.254 -6.866 9.250 1.00 0.00 C ATOM 1197 CD GLU A 76 9.531 -7.654 8.175 1.00 0.00 C ATOM 1198 OE1 GLU A 76 8.344 -7.983 8.378 1.00 0.00 O ATOM 1199 OE2 GLU A 76 10.153 -7.941 7.131 1.00 0.00 O ATOM 0 H GLU A 76 8.815 -4.739 12.795 1.00 0.00 H new ATOM 0 HA GLU A 76 11.026 -5.146 10.951 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.914 -6.978 10.914 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.448 -5.809 9.694 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.867 -6.096 8.781 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.932 -7.529 9.788 1.00 0.00 H new ATOM 1206 N ILE A 77 9.635 -2.713 11.386 1.00 0.00 N ATOM 1207 CA ILE A 77 9.223 -1.363 11.025 1.00 0.00 C ATOM 1208 C ILE A 77 10.180 -0.750 10.007 1.00 0.00 C ATOM 1209 O ILE A 77 11.274 -0.309 10.358 1.00 0.00 O ATOM 1210 CB ILE A 77 9.148 -0.446 12.260 1.00 0.00 C ATOM 1211 CG1 ILE A 77 8.361 -1.128 13.380 1.00 0.00 C ATOM 1212 CG2 ILE A 77 8.513 0.886 11.893 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.942 -1.481 12.993 1.00 0.00 C ATOM 0 H ILE A 77 10.056 -2.792 12.312 1.00 0.00 H new ATOM 0 HA ILE A 77 8.230 -1.444 10.584 1.00 0.00 H new ATOM 0 HB ILE A 77 10.161 -0.256 12.616 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.884 -2.036 13.679 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.339 -0.471 14.250 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.467 1.523 12.776 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.111 1.375 11.124 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.505 0.717 11.515 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.444 -1.961 13.835 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.402 -0.574 12.722 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.956 -2.163 12.143 1.00 0.00 H new ATOM 1225 N ILE A 78 9.760 -0.725 8.748 1.00 0.00 N ATOM 1226 CA ILE A 78 10.579 -0.162 7.681 1.00 0.00 C ATOM 1227 C ILE A 78 10.587 1.361 7.738 1.00 0.00 C ATOM 1228 O ILE A 78 9.610 2.011 7.366 1.00 0.00 O ATOM 1229 CB ILE A 78 10.080 -0.610 6.294 1.00 0.00 C ATOM 1230 CG1 ILE A 78 9.975 -2.136 6.232 1.00 0.00 C ATOM 1231 CG2 ILE A 78 11.009 -0.094 5.205 1.00 0.00 C ATOM 1232 CD1 ILE A 78 9.293 -2.645 4.981 1.00 0.00 C ATOM 0 H ILE A 78 8.858 -1.088 8.441 1.00 0.00 H new ATOM 0 HA ILE A 78 11.593 -0.533 7.832 1.00 0.00 H new ATOM 0 HB ILE A 78 9.088 -0.190 6.129 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.976 -2.564 6.290 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.426 -2.490 7.105 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.643 -0.419 4.231 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.038 0.995 5.237 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.012 -0.488 5.366 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.254 -3.734 5.005 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.280 -2.247 4.931 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.853 -2.321 4.104 1.00 0.00 H new ATOM 1244 N GLN A 79 11.696 1.923 8.205 1.00 0.00 N ATOM 1245 CA GLN A 79 11.832 3.372 8.310 1.00 0.00 C ATOM 1246 C GLN A 79 12.195 3.984 6.962 1.00 0.00 C ATOM 1247 O GLN A 79 13.043 3.459 6.238 1.00 0.00 O ATOM 1248 CB GLN A 79 12.894 3.731 9.350 1.00 0.00 C ATOM 1249 CG GLN A 79 12.883 5.199 9.750 1.00 0.00 C ATOM 1250 CD GLN A 79 14.273 5.745 10.006 1.00 0.00 C ATOM 1251 OE1 GLN A 79 14.781 6.566 9.241 1.00 0.00 O ATOM 1252 NE2 GLN A 79 14.898 5.292 11.085 1.00 0.00 N ATOM 0 H GLN A 79 12.513 1.399 8.517 1.00 0.00 H new ATOM 0 HA GLN A 79 10.872 3.780 8.626 1.00 0.00 H new ATOM 0 HB2 GLN A 79 12.741 3.120 10.239 1.00 0.00 H new ATOM 0 HB3 GLN A 79 13.878 3.478 8.955 1.00 0.00 H new ATOM 0 HG2 GLN A 79 12.407 5.783 8.962 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.277 5.322 10.648 1.00 0.00 H new ATOM 0 HE21 GLN A 79 14.440 4.612 11.692 1.00 0.00 H new ATOM 0 HE22 GLN A 79 15.836 5.624 11.308 1.00 0.00 H new ATOM 1261 N LEU A 80 11.548 5.095 6.629 1.00 0.00 N ATOM 1262 CA LEU A 80 11.803 5.779 5.366 1.00 0.00 C ATOM 1263 C LEU A 80 11.921 7.286 5.576 1.00 0.00 C ATOM 1264 O LEU A 80 10.971 7.938 6.007 1.00 0.00 O ATOM 1265 CB LEU A 80 10.686 5.479 4.366 1.00 0.00 C ATOM 1266 CG LEU A 80 11.131 4.990 2.987 1.00 0.00 C ATOM 1267 CD1 LEU A 80 12.064 6.001 2.339 1.00 0.00 C ATOM 1268 CD2 LEU A 80 11.806 3.631 3.096 1.00 0.00 C ATOM 0 H LEU A 80 10.843 5.541 7.216 1.00 0.00 H new ATOM 0 HA LEU A 80 12.748 5.411 4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.029 4.726 4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.092 6.383 4.234 1.00 0.00 H new ATOM 0 HG LEU A 80 10.248 4.885 2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.371 5.637 1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 80 11.547 6.954 2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 80 12.944 6.138 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 80 12.116 3.298 2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 80 12.680 3.710 3.743 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.106 2.910 3.518 1.00 0.00 H new ATOM 1280 N GLN A 81 13.093 7.831 5.268 1.00 0.00 N ATOM 1281 CA GLN A 81 13.334 9.261 5.422 1.00 0.00 C ATOM 1282 C GLN A 81 13.053 10.003 4.121 1.00 0.00 C ATOM 1283 O GLN A 81 13.705 9.765 3.104 1.00 0.00 O ATOM 1284 CB GLN A 81 14.778 9.512 5.865 1.00 0.00 C ATOM 1285 CG GLN A 81 15.088 10.976 6.125 1.00 0.00 C ATOM 1286 CD GLN A 81 16.142 11.526 5.184 1.00 0.00 C ATOM 1287 OE1 GLN A 81 17.339 11.325 5.389 1.00 0.00 O ATOM 1288 NE2 GLN A 81 15.700 12.224 4.144 1.00 0.00 N ATOM 0 H GLN A 81 13.890 7.305 4.911 1.00 0.00 H new ATOM 0 HA GLN A 81 12.656 9.638 6.188 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.976 8.941 6.772 1.00 0.00 H new ATOM 0 HB3 GLN A 81 15.455 9.136 5.098 1.00 0.00 H new ATOM 0 HG2 GLN A 81 14.174 11.561 6.022 1.00 0.00 H new ATOM 0 HG3 GLN A 81 15.428 11.094 7.154 1.00 0.00 H new ATOM 0 HE21 GLN A 81 14.698 12.366 4.013 1.00 0.00 H new ATOM 0 HE22 GLN A 81 16.362 12.618 3.476 1.00 0.00 H new ATOM 1297 N GLY A 82 12.078 10.906 4.158 1.00 0.00 N ATOM 1298 CA GLY A 82 11.727 11.670 2.976 1.00 0.00 C ATOM 1299 C GLY A 82 10.333 12.259 3.058 1.00 0.00 C ATOM 1300 O GLY A 82 9.482 11.759 3.793 1.00 0.00 O ATOM 0 H GLY A 82 11.524 11.122 4.987 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.450 12.474 2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.795 11.027 2.098 1.00 0.00 H new ATOM 1304 N ASP A 83 10.099 13.328 2.304 1.00 0.00 N ATOM 1305 CA ASP A 83 8.798 13.987 2.296 1.00 0.00 C ATOM 1306 C ASP A 83 7.952 13.506 1.121 1.00 0.00 C ATOM 1307 O ASP A 83 7.122 14.248 0.598 1.00 0.00 O ATOM 1308 CB ASP A 83 8.973 15.506 2.225 1.00 0.00 C ATOM 1309 CG ASP A 83 9.997 15.923 1.188 1.00 0.00 C ATOM 1310 OD1 ASP A 83 11.195 15.997 1.533 1.00 0.00 O ATOM 1311 OD2 ASP A 83 9.600 16.178 0.032 1.00 0.00 O ATOM 0 H ASP A 83 10.793 13.756 1.691 1.00 0.00 H new ATOM 0 HA ASP A 83 8.282 13.730 3.221 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.014 15.969 1.991 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.277 15.880 3.203 1.00 0.00 H new ATOM 1316 N GLN A 84 8.171 12.260 0.713 1.00 0.00 N ATOM 1317 CA GLN A 84 7.429 11.681 -0.401 1.00 0.00 C ATOM 1318 C GLN A 84 6.667 10.437 0.041 1.00 0.00 C ATOM 1319 O GLN A 84 6.642 9.429 -0.665 1.00 0.00 O ATOM 1320 CB GLN A 84 8.379 11.331 -1.547 1.00 0.00 C ATOM 1321 CG GLN A 84 9.064 12.541 -2.161 1.00 0.00 C ATOM 1322 CD GLN A 84 8.583 12.831 -3.570 1.00 0.00 C ATOM 1323 OE1 GLN A 84 8.424 11.919 -4.383 1.00 0.00 O ATOM 1324 NE2 GLN A 84 8.351 14.103 -3.868 1.00 0.00 N ATOM 0 H GLN A 84 8.855 11.633 1.136 1.00 0.00 H new ATOM 0 HA GLN A 84 6.709 12.422 -0.749 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.139 10.641 -1.180 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.821 10.807 -2.323 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.884 13.413 -1.533 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.141 12.376 -2.176 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.496 14.826 -3.164 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.028 14.357 -4.801 1.00 0.00 H new ATOM 1333 N ARG A 85 6.048 10.514 1.214 1.00 0.00 N ATOM 1334 CA ARG A 85 5.286 9.391 1.752 1.00 0.00 C ATOM 1335 C ARG A 85 4.228 8.927 0.755 1.00 0.00 C ATOM 1336 O ARG A 85 4.078 7.730 0.509 1.00 0.00 O ATOM 1337 CB ARG A 85 4.621 9.786 3.073 1.00 0.00 C ATOM 1338 CG ARG A 85 3.835 8.656 3.718 1.00 0.00 C ATOM 1339 CD ARG A 85 2.401 9.071 4.010 1.00 0.00 C ATOM 1340 NE ARG A 85 1.931 8.552 5.291 1.00 0.00 N ATOM 1341 CZ ARG A 85 0.685 8.697 5.730 1.00 0.00 C ATOM 1342 NH1 ARG A 85 -0.209 9.340 4.994 1.00 0.00 N ATOM 1343 NH2 ARG A 85 0.333 8.197 6.907 1.00 0.00 N ATOM 0 H ARG A 85 6.058 11.341 1.811 1.00 0.00 H new ATOM 0 HA ARG A 85 5.976 8.567 1.933 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.388 10.128 3.768 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.952 10.628 2.896 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.837 7.788 3.059 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.323 8.354 4.644 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.332 10.159 4.012 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.750 8.712 3.213 1.00 0.00 H new ATOM 0 HE ARG A 85 2.595 8.051 5.881 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.058 9.725 4.088 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.165 9.450 5.333 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.019 7.701 7.476 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.624 8.309 7.243 1.00 0.00 H new ATOM 1357 N ALA A 86 3.498 9.880 0.188 1.00 0.00 N ATOM 1358 CA ALA A 86 2.455 9.568 -0.783 1.00 0.00 C ATOM 1359 C ALA A 86 3.006 8.723 -1.927 1.00 0.00 C ATOM 1360 O ALA A 86 2.271 7.967 -2.562 1.00 0.00 O ATOM 1361 CB ALA A 86 1.834 10.849 -1.321 1.00 0.00 C ATOM 0 H ALA A 86 3.609 10.875 0.383 1.00 0.00 H new ATOM 0 HA ALA A 86 1.683 8.988 -0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.057 10.601 -2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.396 11.415 -0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.603 11.450 -1.806 1.00 0.00 H new ATOM 1367 N LYS A 87 4.302 8.857 -2.185 1.00 0.00 N ATOM 1368 CA LYS A 87 4.952 8.106 -3.252 1.00 0.00 C ATOM 1369 C LYS A 87 5.152 6.649 -2.849 1.00 0.00 C ATOM 1370 O LYS A 87 4.896 5.736 -3.633 1.00 0.00 O ATOM 1371 CB LYS A 87 6.300 8.741 -3.603 1.00 0.00 C ATOM 1372 CG LYS A 87 6.661 8.626 -5.073 1.00 0.00 C ATOM 1373 CD LYS A 87 5.801 9.537 -5.932 1.00 0.00 C ATOM 1374 CE LYS A 87 6.475 9.856 -7.258 1.00 0.00 C ATOM 1375 NZ LYS A 87 5.718 10.875 -8.034 1.00 0.00 N ATOM 0 H LYS A 87 4.924 9.480 -1.669 1.00 0.00 H new ATOM 0 HA LYS A 87 4.305 8.135 -4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.280 9.794 -3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.081 8.268 -3.007 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.712 8.880 -5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.537 7.593 -5.399 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.838 9.061 -6.118 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.600 10.463 -5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.486 10.218 -7.073 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.566 8.944 -7.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.210 11.065 -8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.761 10.520 -8.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.653 11.754 -7.482 1.00 0.00 H new ATOM 1389 N VAL A 88 5.613 6.439 -1.619 1.00 0.00 N ATOM 1390 CA VAL A 88 5.845 5.093 -1.110 1.00 0.00 C ATOM 1391 C VAL A 88 4.545 4.300 -1.037 1.00 0.00 C ATOM 1392 O VAL A 88 4.545 3.075 -1.159 1.00 0.00 O ATOM 1393 CB VAL A 88 6.493 5.126 0.287 1.00 0.00 C ATOM 1394 CG1 VAL A 88 6.706 3.713 0.810 1.00 0.00 C ATOM 1395 CG2 VAL A 88 7.807 5.891 0.247 1.00 0.00 C ATOM 0 H VAL A 88 5.833 7.184 -0.958 1.00 0.00 H new ATOM 0 HA VAL A 88 6.526 4.604 -1.807 1.00 0.00 H new ATOM 0 HB VAL A 88 5.818 5.643 0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.165 3.756 1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.746 3.201 0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.360 3.168 0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.251 5.904 1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.490 5.404 -0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.623 6.914 -0.082 1.00 0.00 H new ATOM 1405 N CYS A 89 3.438 5.008 -0.837 1.00 0.00 N ATOM 1406 CA CYS A 89 2.129 4.370 -0.748 1.00 0.00 C ATOM 1407 C CYS A 89 1.581 4.057 -2.137 1.00 0.00 C ATOM 1408 O CYS A 89 0.946 3.023 -2.344 1.00 0.00 O ATOM 1409 CB CYS A 89 1.151 5.270 0.007 1.00 0.00 C ATOM 1410 SG CYS A 89 -0.194 4.378 0.823 1.00 0.00 S ATOM 0 H CYS A 89 3.421 6.023 -0.734 1.00 0.00 H new ATOM 0 HA CYS A 89 2.245 3.433 -0.203 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.702 5.839 0.756 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.724 5.990 -0.691 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.967 5.225 1.436 1.00 0.00 H new ATOM 1416 N GLU A 90 1.831 4.955 -3.084 1.00 0.00 N ATOM 1417 CA GLU A 90 1.361 4.774 -4.452 1.00 0.00 C ATOM 1418 C GLU A 90 2.184 3.713 -5.175 1.00 0.00 C ATOM 1419 O GLU A 90 1.669 2.981 -6.020 1.00 0.00 O ATOM 1420 CB GLU A 90 1.428 6.097 -5.217 1.00 0.00 C ATOM 1421 CG GLU A 90 0.954 5.992 -6.656 1.00 0.00 C ATOM 1422 CD GLU A 90 0.454 7.315 -7.203 1.00 0.00 C ATOM 1423 OE1 GLU A 90 1.265 8.259 -7.307 1.00 0.00 O ATOM 1424 OE2 GLU A 90 -0.749 7.407 -7.527 1.00 0.00 O ATOM 0 H GLU A 90 2.356 5.815 -2.929 1.00 0.00 H new ATOM 0 HA GLU A 90 0.325 4.438 -4.411 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.822 6.839 -4.697 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.455 6.461 -5.207 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.773 5.632 -7.279 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.156 5.252 -6.719 1.00 0.00 H new ATOM 1431 N PHE A 91 3.467 3.635 -4.837 1.00 0.00 N ATOM 1432 CA PHE A 91 4.363 2.665 -5.454 1.00 0.00 C ATOM 1433 C PHE A 91 4.205 1.292 -4.808 1.00 0.00 C ATOM 1434 O PHE A 91 4.333 0.263 -5.472 1.00 0.00 O ATOM 1435 CB PHE A 91 5.816 3.132 -5.335 1.00 0.00 C ATOM 1436 CG PHE A 91 6.689 2.666 -6.464 1.00 0.00 C ATOM 1437 CD1 PHE A 91 6.709 3.349 -7.670 1.00 0.00 C ATOM 1438 CD2 PHE A 91 7.490 1.545 -6.320 1.00 0.00 C ATOM 1439 CE1 PHE A 91 7.513 2.923 -8.710 1.00 0.00 C ATOM 1440 CE2 PHE A 91 8.295 1.114 -7.358 1.00 0.00 C ATOM 1441 CZ PHE A 91 8.306 1.803 -8.554 1.00 0.00 C ATOM 0 H PHE A 91 3.909 4.233 -4.139 1.00 0.00 H new ATOM 0 HA PHE A 91 4.100 2.584 -6.509 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.837 4.221 -5.295 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.230 2.771 -4.393 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.089 4.224 -7.798 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.486 1.002 -5.387 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.521 3.465 -9.644 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.915 0.239 -7.233 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.933 1.467 -9.366 1.00 0.00 H new ATOM 1451 N MET A 92 3.928 1.283 -3.508 1.00 0.00 N ATOM 1452 CA MET A 92 3.752 0.037 -2.772 1.00 0.00 C ATOM 1453 C MET A 92 2.480 -0.679 -3.212 1.00 0.00 C ATOM 1454 O MET A 92 2.478 -1.895 -3.412 1.00 0.00 O ATOM 1455 CB MET A 92 3.703 0.310 -1.268 1.00 0.00 C ATOM 1456 CG MET A 92 3.520 -0.943 -0.428 1.00 0.00 C ATOM 1457 SD MET A 92 5.032 -1.437 0.422 1.00 0.00 S ATOM 1458 CE MET A 92 5.343 0.010 1.430 1.00 0.00 C ATOM 0 H MET A 92 3.821 2.125 -2.943 1.00 0.00 H new ATOM 0 HA MET A 92 4.604 -0.607 -2.989 1.00 0.00 H new ATOM 0 HB2 MET A 92 4.625 0.807 -0.967 1.00 0.00 H new ATOM 0 HB3 MET A 92 2.886 1.000 -1.059 1.00 0.00 H new ATOM 0 HG2 MET A 92 2.734 -0.771 0.307 1.00 0.00 H new ATOM 0 HG3 MET A 92 3.185 -1.759 -1.068 1.00 0.00 H new ATOM 0 HE1 MET A 92 5.933 -0.274 2.301 1.00 0.00 H new ATOM 0 HE2 MET A 92 5.890 0.750 0.846 1.00 0.00 H new ATOM 0 HE3 MET A 92 4.395 0.436 1.757 1.00 0.00 H new ATOM 1468 N ILE A 93 1.401 0.079 -3.360 1.00 0.00 N ATOM 1469 CA ILE A 93 0.122 -0.483 -3.779 1.00 0.00 C ATOM 1470 C ILE A 93 0.135 -0.835 -5.262 1.00 0.00 C ATOM 1471 O ILE A 93 -0.352 -1.893 -5.664 1.00 0.00 O ATOM 1472 CB ILE A 93 -1.039 0.489 -3.502 1.00 0.00 C ATOM 1473 CG1 ILE A 93 -1.099 0.837 -2.014 1.00 0.00 C ATOM 1474 CG2 ILE A 93 -2.357 -0.114 -3.964 1.00 0.00 C ATOM 1475 CD1 ILE A 93 -1.951 2.050 -1.710 1.00 0.00 C ATOM 0 H ILE A 93 1.385 1.086 -3.196 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.030 -1.391 -3.195 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.865 1.407 -4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.491 -0.019 -1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.087 1.013 -1.649 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.168 0.585 -3.761 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.310 -0.315 -5.034 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.539 -1.046 -3.428 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.947 2.237 -0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.547 2.918 -2.231 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.973 1.870 -2.043 1.00 0.00 H new ATOM 1487 N SER A 94 0.697 0.056 -6.071 1.00 0.00 N ATOM 1488 CA SER A 94 0.771 -0.159 -7.512 1.00 0.00 C ATOM 1489 C SER A 94 1.684 -1.337 -7.838 1.00 0.00 C ATOM 1490 O SER A 94 1.540 -1.976 -8.880 1.00 0.00 O ATOM 1491 CB SER A 94 1.280 1.104 -8.212 1.00 0.00 C ATOM 1492 OG SER A 94 1.161 0.990 -9.618 1.00 0.00 O ATOM 0 H SER A 94 1.108 0.934 -5.754 1.00 0.00 H new ATOM 0 HA SER A 94 -0.232 -0.387 -7.873 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.715 1.969 -7.865 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.323 1.277 -7.945 1.00 0.00 H new ATOM 0 HG SER A 94 1.491 1.810 -10.042 1.00 0.00 H new ATOM 1498 N GLN A 95 2.624 -1.617 -6.941 1.00 0.00 N ATOM 1499 CA GLN A 95 3.559 -2.717 -7.133 1.00 0.00 C ATOM 1500 C GLN A 95 3.039 -3.995 -6.481 1.00 0.00 C ATOM 1501 O GLN A 95 3.338 -5.100 -6.934 1.00 0.00 O ATOM 1502 CB GLN A 95 4.929 -2.357 -6.555 1.00 0.00 C ATOM 1503 CG GLN A 95 6.008 -3.383 -6.862 1.00 0.00 C ATOM 1504 CD GLN A 95 6.442 -3.359 -8.314 1.00 0.00 C ATOM 1505 OE1 GLN A 95 5.998 -4.176 -9.120 1.00 0.00 O ATOM 1506 NE2 GLN A 95 7.313 -2.418 -8.656 1.00 0.00 N ATOM 0 H GLN A 95 2.758 -1.096 -6.074 1.00 0.00 H new ATOM 0 HA GLN A 95 3.659 -2.892 -8.204 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.237 -1.389 -6.949 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.841 -2.247 -5.474 1.00 0.00 H new ATOM 0 HG2 GLN A 95 6.873 -3.196 -6.225 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.639 -4.378 -6.614 1.00 0.00 H new ATOM 0 HE21 GLN A 95 7.655 -1.761 -7.955 1.00 0.00 H new ATOM 0 HE22 GLN A 95 7.640 -2.352 -9.620 1.00 0.00 H new ATOM 1515 N LEU A 96 2.262 -3.835 -5.417 1.00 0.00 N ATOM 1516 CA LEU A 96 1.701 -4.977 -4.701 1.00 0.00 C ATOM 1517 C LEU A 96 0.554 -5.602 -5.488 1.00 0.00 C ATOM 1518 O LEU A 96 0.246 -6.781 -5.324 1.00 0.00 O ATOM 1519 CB LEU A 96 1.208 -4.544 -3.319 1.00 0.00 C ATOM 1520 CG LEU A 96 2.261 -4.522 -2.209 1.00 0.00 C ATOM 1521 CD1 LEU A 96 1.696 -3.880 -0.951 1.00 0.00 C ATOM 1522 CD2 LEU A 96 2.755 -5.931 -1.915 1.00 0.00 C ATOM 0 H LEU A 96 2.005 -2.927 -5.030 1.00 0.00 H new ATOM 0 HA LEU A 96 2.487 -5.723 -4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.778 -3.546 -3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.403 -5.213 -3.016 1.00 0.00 H new ATOM 0 HG LEU A 96 3.108 -3.925 -2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.459 -3.873 -0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.392 -2.857 -1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.832 -4.450 -0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.503 -5.896 -1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.917 -6.551 -1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.199 -6.356 -2.815 1.00 0.00 H new ATOM 1534 N GLY A 97 -0.072 -4.804 -6.348 1.00 0.00 N ATOM 1535 CA GLY A 97 -1.176 -5.298 -7.150 1.00 0.00 C ATOM 1536 C GLY A 97 -2.508 -4.703 -6.732 1.00 0.00 C ATOM 1537 O GLY A 97 -3.519 -5.404 -6.679 1.00 0.00 O ATOM 0 H GLY A 97 0.166 -3.824 -6.503 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.991 -5.067 -8.199 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.224 -6.384 -7.067 1.00 0.00 H new ATOM 1541 N LEU A 98 -2.508 -3.408 -6.435 1.00 0.00 N ATOM 1542 CA LEU A 98 -3.725 -2.720 -6.019 1.00 0.00 C ATOM 1543 C LEU A 98 -4.245 -3.282 -4.700 1.00 0.00 C ATOM 1544 O LEU A 98 -5.402 -3.692 -4.603 1.00 0.00 O ATOM 1545 CB LEU A 98 -4.799 -2.845 -7.100 1.00 0.00 C ATOM 1546 CG LEU A 98 -5.864 -1.747 -7.117 1.00 0.00 C ATOM 1547 CD1 LEU A 98 -5.332 -0.499 -7.804 1.00 0.00 C ATOM 1548 CD2 LEU A 98 -7.128 -2.239 -7.808 1.00 0.00 C ATOM 0 H LEU A 98 -1.680 -2.814 -6.474 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.486 -1.667 -5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.307 -2.862 -8.073 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.298 -3.806 -6.979 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.112 -1.493 -6.086 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.103 0.271 -7.807 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.456 -0.134 -7.268 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.055 -0.739 -8.831 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.874 -1.444 -7.810 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.895 -2.521 -8.835 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.521 -3.104 -7.274 1.00 0.00 H new ATOM 1560 N GLN A 99 -3.384 -3.297 -3.688 1.00 0.00 N ATOM 1561 CA GLN A 99 -3.758 -3.808 -2.373 1.00 0.00 C ATOM 1562 C GLN A 99 -4.277 -2.685 -1.481 1.00 0.00 C ATOM 1563 O GLN A 99 -3.552 -1.739 -1.173 1.00 0.00 O ATOM 1564 CB GLN A 99 -2.562 -4.493 -1.711 1.00 0.00 C ATOM 1565 CG GLN A 99 -2.952 -5.453 -0.597 1.00 0.00 C ATOM 1566 CD GLN A 99 -3.268 -6.844 -1.109 1.00 0.00 C ATOM 1567 OE1 GLN A 99 -2.398 -7.712 -1.158 1.00 0.00 O ATOM 1568 NE2 GLN A 99 -4.520 -7.062 -1.493 1.00 0.00 N ATOM 0 H GLN A 99 -2.423 -2.962 -3.752 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.556 -4.538 -2.507 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.000 -5.038 -2.469 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.895 -3.731 -1.307 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.139 -5.512 0.127 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.820 -5.058 -0.070 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.209 -6.312 -1.435 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.793 -7.979 -1.846 1.00 0.00 H new ATOM 1577 N LYS A 100 -5.533 -2.798 -1.068 1.00 0.00 N ATOM 1578 CA LYS A 100 -6.150 -1.794 -0.208 1.00 0.00 C ATOM 1579 C LYS A 100 -7.215 -2.422 0.685 1.00 0.00 C ATOM 1580 O LYS A 100 -8.073 -1.725 1.228 1.00 0.00 O ATOM 1581 CB LYS A 100 -6.770 -0.680 -1.054 1.00 0.00 C ATOM 1582 CG LYS A 100 -7.655 -1.191 -2.179 1.00 0.00 C ATOM 1583 CD LYS A 100 -8.792 -0.228 -2.476 1.00 0.00 C ATOM 1584 CE LYS A 100 -10.118 -0.751 -1.942 1.00 0.00 C ATOM 1585 NZ LYS A 100 -11.136 0.330 -1.831 1.00 0.00 N ATOM 0 H LYS A 100 -6.146 -3.575 -1.315 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.373 -1.369 0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.358 -0.029 -0.407 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.972 -0.071 -1.479 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.055 -1.335 -3.078 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.063 -2.165 -1.908 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.575 0.742 -2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.867 -0.073 -3.552 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.491 -1.535 -2.601 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.962 -1.205 -0.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.025 -0.066 -1.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.791 1.066 -1.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.304 0.746 -2.769 1.00 0.00 H new ATOM 1599 N LYS A 101 -7.155 -3.740 0.833 1.00 0.00 N ATOM 1600 CA LYS A 101 -8.112 -4.462 1.663 1.00 0.00 C ATOM 1601 C LYS A 101 -8.153 -3.886 3.075 1.00 0.00 C ATOM 1602 O LYS A 101 -9.166 -3.982 3.765 1.00 0.00 O ATOM 1603 CB LYS A 101 -7.751 -5.948 1.718 1.00 0.00 C ATOM 1604 CG LYS A 101 -8.581 -6.811 0.781 1.00 0.00 C ATOM 1605 CD LYS A 101 -7.723 -7.446 -0.298 1.00 0.00 C ATOM 1606 CE LYS A 101 -8.486 -8.524 -1.055 1.00 0.00 C ATOM 1607 NZ LYS A 101 -9.071 -8.004 -2.322 1.00 0.00 N ATOM 0 H LYS A 101 -6.453 -4.331 0.388 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.099 -4.350 1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.696 -6.067 1.469 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.880 -6.307 2.739 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.084 -7.591 1.353 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.359 -6.203 0.318 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.387 -6.679 -0.996 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -6.831 -7.879 0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -7.816 -9.354 -1.278 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.282 -8.918 -0.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -9.582 -8.768 -2.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.730 -7.229 -2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.310 -7.651 -2.937 1.00 0.00 H new ATOM 1621 N ASN A 102 -7.044 -3.286 3.496 1.00 0.00 N ATOM 1622 CA ASN A 102 -6.954 -2.694 4.825 1.00 0.00 C ATOM 1623 C ASN A 102 -5.626 -1.965 5.007 1.00 0.00 C ATOM 1624 O ASN A 102 -4.598 -2.382 4.470 1.00 0.00 O ATOM 1625 CB ASN A 102 -7.108 -3.772 5.899 1.00 0.00 C ATOM 1626 CG ASN A 102 -7.555 -3.201 7.231 1.00 0.00 C ATOM 1627 OD1 ASN A 102 -6.942 -2.274 7.760 1.00 0.00 O ATOM 1628 ND2 ASN A 102 -8.629 -3.755 7.781 1.00 0.00 N ATOM 0 H ASN A 102 -6.196 -3.197 2.936 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.763 -1.971 4.928 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -7.832 -4.514 5.564 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.158 -4.290 6.029 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -8.977 -3.414 8.677 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -9.107 -4.522 7.307 1.00 0.00 H new ATOM 1635 N ILE A 103 -5.653 -0.875 5.767 1.00 0.00 N ATOM 1636 CA ILE A 103 -4.452 -0.091 6.022 1.00 0.00 C ATOM 1637 C ILE A 103 -4.418 0.413 7.460 1.00 0.00 C ATOM 1638 O ILE A 103 -5.321 1.125 7.902 1.00 0.00 O ATOM 1639 CB ILE A 103 -4.353 1.113 5.065 1.00 0.00 C ATOM 1640 CG1 ILE A 103 -4.544 0.658 3.617 1.00 0.00 C ATOM 1641 CG2 ILE A 103 -3.013 1.814 5.233 1.00 0.00 C ATOM 1642 CD1 ILE A 103 -5.988 0.671 3.166 1.00 0.00 C ATOM 0 H ILE A 103 -6.495 -0.515 6.217 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.602 -0.752 5.852 1.00 0.00 H new ATOM 0 HB ILE A 103 -5.145 1.820 5.311 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.961 1.305 2.961 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -4.146 -0.351 3.506 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -2.958 2.662 4.551 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -2.913 2.167 6.259 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -2.206 1.116 5.010 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -6.049 0.337 2.130 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -6.573 0.002 3.798 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -6.385 1.683 3.245 1.00 0.00 H new ATOM 1654 N LYS A 104 -3.370 0.043 8.187 1.00 0.00 N ATOM 1655 CA LYS A 104 -3.215 0.460 9.576 1.00 0.00 C ATOM 1656 C LYS A 104 -2.440 1.769 9.668 1.00 0.00 C ATOM 1657 O LYS A 104 -1.212 1.769 9.749 1.00 0.00 O ATOM 1658 CB LYS A 104 -2.499 -0.627 10.379 1.00 0.00 C ATOM 1659 CG LYS A 104 -3.379 -1.296 11.421 1.00 0.00 C ATOM 1660 CD LYS A 104 -3.447 -0.481 12.700 1.00 0.00 C ATOM 1661 CE LYS A 104 -4.885 -0.208 13.113 1.00 0.00 C ATOM 1662 NZ LYS A 104 -5.500 -1.383 13.791 1.00 0.00 N ATOM 0 H LYS A 104 -2.614 -0.546 7.837 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.209 0.617 9.995 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.123 -1.386 9.692 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.633 -0.189 10.875 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.384 -1.428 11.019 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.991 -2.290 11.642 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.933 -1.014 13.500 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.923 0.464 12.558 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.914 0.653 13.781 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.473 0.052 12.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.480 -1.157 14.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.496 -2.198 13.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -4.954 -1.616 14.645 1.00 0.00 H new ATOM 1676 N ILE A 105 -3.165 2.883 9.656 1.00 0.00 N ATOM 1677 CA ILE A 105 -2.543 4.199 9.740 1.00 0.00 C ATOM 1678 C ILE A 105 -2.546 4.717 11.175 1.00 0.00 C ATOM 1679 O ILE A 105 -3.546 4.604 11.886 1.00 0.00 O ATOM 1680 CB ILE A 105 -3.260 5.220 8.837 1.00 0.00 C ATOM 1681 CG1 ILE A 105 -3.530 4.612 7.459 1.00 0.00 C ATOM 1682 CG2 ILE A 105 -2.433 6.488 8.711 1.00 0.00 C ATOM 1683 CD1 ILE A 105 -4.245 5.551 6.515 1.00 0.00 C ATOM 0 H ILE A 105 -4.183 2.900 9.589 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.514 4.084 9.399 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.216 5.479 9.292 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.583 4.311 7.011 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.126 3.708 7.580 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.953 7.199 8.070 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.288 6.927 9.698 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.463 6.248 8.275 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.403 5.054 5.558 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.208 5.832 6.941 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.640 6.445 6.364 1.00 0.00 H new ATOM 1695 N HIS A 106 -1.421 5.286 11.595 1.00 0.00 N ATOM 1696 CA HIS A 106 -1.294 5.824 12.944 1.00 0.00 C ATOM 1697 C HIS A 106 -1.742 7.283 12.992 1.00 0.00 C ATOM 1698 O HIS A 106 -1.066 8.167 12.467 1.00 0.00 O ATOM 1699 CB HIS A 106 0.151 5.705 13.429 1.00 0.00 C ATOM 1700 CG HIS A 106 0.274 5.153 14.818 1.00 0.00 C ATOM 1701 ND1 HIS A 106 1.081 5.716 15.783 1.00 0.00 N ATOM 1702 CD2 HIS A 106 -0.315 4.082 15.399 1.00 0.00 C ATOM 1703 CE1 HIS A 106 0.984 5.014 16.898 1.00 0.00 C ATOM 1704 NE2 HIS A 106 0.142 4.017 16.691 1.00 0.00 N ATOM 0 H HIS A 106 -0.584 5.386 11.020 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.939 5.243 13.603 1.00 0.00 H new ATOM 0 HB2 HIS A 106 0.705 5.065 12.742 1.00 0.00 H new ATOM 0 HB3 HIS A 106 0.619 6.689 13.395 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.015 3.404 14.932 1.00 0.00 H new ATOM 0 HE1 HIS A 106 1.504 5.220 17.822 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -0.125 3.313 17.380 1.00 0.00 H new ATOM 1712 N GLY A 107 -2.883 7.526 13.627 1.00 0.00 N ATOM 1713 CA GLY A 107 -3.401 8.877 13.731 1.00 0.00 C ATOM 1714 C GLY A 107 -3.310 9.426 15.141 1.00 0.00 C ATOM 1715 O GLY A 107 -4.312 9.496 15.853 1.00 0.00 O ATOM 0 H GLY A 107 -3.459 6.811 14.072 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.847 9.528 13.054 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.441 8.890 13.406 1.00 0.00 H new ATOM 1719 N PHE A 108 -2.106 9.817 15.545 1.00 0.00 N ATOM 1720 CA PHE A 108 -1.887 10.359 16.881 1.00 0.00 C ATOM 1721 C PHE A 108 -2.004 11.881 16.875 1.00 0.00 C ATOM 1722 O PHE A 108 -1.855 12.528 17.911 1.00 0.00 O ATOM 1723 CB PHE A 108 -0.512 9.944 17.404 1.00 0.00 C ATOM 1724 CG PHE A 108 -0.552 9.326 18.773 1.00 0.00 C ATOM 1725 CD1 PHE A 108 -0.472 10.115 19.908 1.00 0.00 C ATOM 1726 CD2 PHE A 108 -0.669 7.953 18.924 1.00 0.00 C ATOM 1727 CE1 PHE A 108 -0.509 9.549 21.168 1.00 0.00 C ATOM 1728 CE2 PHE A 108 -0.708 7.381 20.182 1.00 0.00 C ATOM 1729 CZ PHE A 108 -0.626 8.181 21.305 1.00 0.00 C ATOM 0 H PHE A 108 -1.267 9.769 14.967 1.00 0.00 H new ATOM 0 HA PHE A 108 -2.655 9.955 17.541 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -0.066 9.235 16.707 1.00 0.00 H new ATOM 0 HB3 PHE A 108 0.138 10.819 17.428 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -0.380 11.186 19.807 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -0.730 7.323 18.049 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -0.446 10.177 22.045 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.802 6.310 20.287 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.653 7.736 22.289 1.00 0.00 H new TER 1739 PHE A 108