USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 679 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 34 CYS SG : rot -49:sc= 0.37 USER MOD Set 1.2: A 83 THR OG1 : rot 90:sc= 0.413 USER MOD Set 2.1: A 12 ASN : amide:sc= 1.89 K(o=2.9,f=-0.9) USER MOD Set 2.2: A 46 SER OG : rot -166:sc= 0.973 USER MOD Set 3.1: A 13 HIS : no HE2:sc= -0.211 K(o=-6.1,f=-8) USER MOD Set 3.2: A 33 HIS : no HE2:sc= -0.102 K(o=-6.1,f=-9.1) USER MOD Set 3.3: A 81 HIS : no HD1:sc= -5.77! C(o=-6.1!,f=-13!) USER MOD Set 4.1: A 20 THR OG1 : rot -25:sc= 1.27 USER MOD Set 4.2: A 23 ASN : amide:sc= 0.33 K(o=3,f=1.6) USER MOD Set 4.3: A 28 LYS NZ :NH3+ -157:sc= 1.44 (180deg=1.01) USER MOD Set 5.1: A 27 CYS SG : rot -150:sc= 0 USER MOD Set 5.2: A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 139:sc= -0.373 (180deg=-1.51!) USER MOD Single : A 1 MET N :NH3+ -140:sc= 0 (180deg=-0.384) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 16 SER OG : rot -84:sc= 1.31 USER MOD Single : A 17 GLN : amide:sc= -2.56! C(o=-2.6!,f=-3.9!) USER MOD Single : A 22 CYS SG : rot 180:sc= -1.09 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot -52:sc= 0.0703 USER MOD Single : A 26 TYR OH : rot 20:sc= -0.213 USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= 0.56 (180deg=0.435) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 180:sc= 0.119 USER MOD Single : A 32 TYR OH : rot -103:sc= 0.455 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 50:sc= 0.47 USER MOD Single : A 41 LYS NZ :NH3+ -177:sc= 2.23 (180deg=2.15) USER MOD Single : A 47 TYR OH : rot -94:sc= 1.14 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 167:sc= 1.26 (180deg=0.962) USER MOD Single : A 54 GLN : amide:sc= 0.177 X(o=0.18,f=-0.051) USER MOD Single : A 60 GLN : amide:sc= -0.0282 K(o=-0.028,f=-2.5!) USER MOD Single : A 62 ASN : amide:sc= -0.0511 X(o=-0.051,f=0) USER MOD Single : A 63 GLN : amide:sc= 0.16 K(o=0.16,f=-1.2) USER MOD Single : A 65 HIS : no HE2:sc= -0.136 X(o=-0.14,f=-0.17) USER MOD Single : A 66 GLN : amide:sc= -0.027 K(o=-0.027,f=-2.5!) USER MOD Single : A 72 GLN : amide:sc= 0.0358 K(o=0.036,f=-1.8!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.022 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HE2:sc= -5.72! C(o=-5.7!,f=-4.7!) USER MOD Single : A 86 LYS NZ :NH3+ -175:sc= 0.953 (180deg=0.911) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.646 4.314 -1.757 1.00 0.00 N ATOM 2 CA MET A 1 10.258 4.805 -1.981 1.00 0.00 C ATOM 3 C MET A 1 9.939 6.188 -1.259 1.00 0.00 C ATOM 4 O MET A 1 9.609 7.222 -1.841 1.00 0.00 O ATOM 5 CB MET A 1 9.249 3.616 -1.700 1.00 0.00 C ATOM 6 CG MET A 1 9.311 2.465 -2.696 1.00 0.00 C ATOM 7 SD MET A 1 8.410 1.103 -2.063 1.00 0.00 S ATOM 8 CE MET A 1 8.877 -0.045 -3.398 1.00 0.00 C ATOM 0 H1 MET A 1 12.017 3.908 -2.640 1.00 0.00 H new ATOM 0 H2 MET A 1 12.251 5.106 -1.459 1.00 0.00 H new ATOM 0 H3 MET A 1 11.641 3.585 -1.016 1.00 0.00 H new ATOM 0 HA MET A 1 10.131 5.088 -3.026 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.444 3.223 -0.702 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.235 4.015 -1.693 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.896 2.776 -3.655 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.347 2.179 -2.875 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.091 -1.027 -2.975 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.056 -0.128 -4.110 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.764 0.332 -3.908 1.00 0.00 H new ATOM 19 N ASP A 2 10.124 6.192 0.103 1.00 0.00 N ATOM 20 CA ASP A 2 10.013 7.435 0.958 1.00 0.00 C ATOM 21 C ASP A 2 10.734 8.827 0.558 1.00 0.00 C ATOM 22 O ASP A 2 10.059 9.797 0.854 1.00 0.00 O ATOM 23 CB ASP A 2 10.285 7.009 2.429 1.00 0.00 C ATOM 24 CG ASP A 2 9.721 7.820 3.605 1.00 0.00 C ATOM 25 OD1 ASP A 2 10.130 9.011 3.764 1.00 0.00 O ATOM 26 OD2 ASP A 2 8.984 7.246 4.448 1.00 0.00 O ATOM 0 H ASP A 2 10.350 5.352 0.635 1.00 0.00 H new ATOM 0 HA ASP A 2 8.997 7.779 0.763 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.917 5.989 2.539 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.367 6.973 2.556 1.00 0.00 H new ATOM 31 N PRO A 3 11.974 9.045 -0.017 1.00 0.00 N ATOM 32 CA PRO A 3 12.560 10.424 -0.273 1.00 0.00 C ATOM 33 C PRO A 3 11.879 11.441 -1.278 1.00 0.00 C ATOM 34 O PRO A 3 12.184 12.659 -1.173 1.00 0.00 O ATOM 35 CB PRO A 3 14.000 10.134 -0.619 1.00 0.00 C ATOM 36 CG PRO A 3 13.982 8.717 -1.159 1.00 0.00 C ATOM 37 CD PRO A 3 12.881 7.972 -0.375 1.00 0.00 C ATOM 0 HA PRO A 3 12.381 11.015 0.625 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.379 10.837 -1.361 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.643 10.217 0.257 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.771 8.710 -2.228 1.00 0.00 H new ATOM 0 HG3 PRO A 3 14.951 8.236 -1.022 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.391 7.212 -0.985 1.00 0.00 H new ATOM 0 HD3 PRO A 3 13.280 7.467 0.505 1.00 0.00 H new ATOM 45 N VAL A 4 10.875 11.075 -2.093 1.00 0.00 N ATOM 46 CA VAL A 4 10.362 11.994 -3.151 1.00 0.00 C ATOM 47 C VAL A 4 9.419 13.058 -2.476 1.00 0.00 C ATOM 48 O VAL A 4 9.890 13.978 -1.787 1.00 0.00 O ATOM 49 CB VAL A 4 9.715 11.077 -4.300 1.00 0.00 C ATOM 50 CG1 VAL A 4 9.409 11.917 -5.587 1.00 0.00 C ATOM 51 CG2 VAL A 4 10.570 9.881 -4.831 1.00 0.00 C ATOM 0 H VAL A 4 10.404 10.171 -2.051 1.00 0.00 H new ATOM 0 HA VAL A 4 11.130 12.590 -3.644 1.00 0.00 H new ATOM 0 HB VAL A 4 8.841 10.681 -3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.972 11.271 -6.348 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.708 12.715 -5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.334 12.350 -5.967 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.012 9.349 -5.602 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.501 10.259 -5.253 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.793 9.200 -4.009 1.00 0.00 H new ATOM 61 N ASP A 5 8.090 12.862 -2.623 1.00 0.00 N ATOM 62 CA ASP A 5 7.127 13.785 -2.007 1.00 0.00 C ATOM 63 C ASP A 5 5.997 13.080 -1.162 1.00 0.00 C ATOM 64 O ASP A 5 5.827 13.524 -0.002 1.00 0.00 O ATOM 65 CB ASP A 5 6.893 15.016 -2.896 1.00 0.00 C ATOM 66 CG ASP A 5 6.102 14.896 -4.186 1.00 0.00 C ATOM 67 OD1 ASP A 5 6.149 13.848 -4.877 1.00 0.00 O ATOM 68 OD2 ASP A 5 5.535 15.953 -4.546 1.00 0.00 O ATOM 0 H ASP A 5 7.674 12.094 -3.149 1.00 0.00 H new ATOM 0 HA ASP A 5 7.529 14.302 -1.135 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.395 15.766 -2.282 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.873 15.416 -3.156 1.00 0.00 H new ATOM 73 N PRO A 6 5.247 12.014 -1.559 1.00 0.00 N ATOM 74 CA PRO A 6 5.183 11.423 -2.942 1.00 0.00 C ATOM 75 C PRO A 6 3.798 11.661 -3.683 1.00 0.00 C ATOM 76 O PRO A 6 2.728 11.305 -3.183 1.00 0.00 O ATOM 77 CB PRO A 6 5.404 9.955 -2.563 1.00 0.00 C ATOM 78 CG PRO A 6 4.674 9.711 -1.265 1.00 0.00 C ATOM 79 CD PRO A 6 4.720 11.052 -0.556 1.00 0.00 C ATOM 0 HA PRO A 6 5.885 11.849 -3.659 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.028 9.296 -3.345 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.467 9.743 -2.451 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.648 9.388 -1.440 1.00 0.00 H new ATOM 0 HG3 PRO A 6 5.158 8.932 -0.676 1.00 0.00 H new ATOM 0 HD2 PRO A 6 3.729 11.348 -0.211 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.364 11.009 0.323 1.00 0.00 H new ATOM 87 N ASN A 7 3.851 12.203 -4.893 1.00 0.00 N ATOM 88 CA ASN A 7 2.615 12.397 -5.734 1.00 0.00 C ATOM 89 C ASN A 7 1.894 11.054 -6.162 1.00 0.00 C ATOM 90 O ASN A 7 0.885 10.689 -5.544 1.00 0.00 O ATOM 91 CB ASN A 7 3.057 13.240 -6.999 1.00 0.00 C ATOM 92 CG ASN A 7 3.226 14.726 -6.762 1.00 0.00 C ATOM 93 OD1 ASN A 7 2.431 15.352 -6.089 1.00 0.00 O ATOM 94 ND2 ASN A 7 4.157 15.353 -7.399 1.00 0.00 N ATOM 0 H ASN A 7 4.713 12.522 -5.335 1.00 0.00 H new ATOM 0 HA ASN A 7 1.864 12.915 -5.137 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.000 12.839 -7.370 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.317 13.097 -7.787 1.00 0.00 H new ATOM 0 HD21 ASN A 7 4.223 16.369 -7.336 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.827 14.833 -7.965 1.00 0.00 H new ATOM 101 N LEU A 8 2.353 10.364 -7.245 1.00 0.00 N ATOM 102 CA LEU A 8 1.828 9.043 -7.694 1.00 0.00 C ATOM 103 C LEU A 8 3.088 8.245 -8.158 1.00 0.00 C ATOM 104 O LEU A 8 3.610 8.507 -9.253 1.00 0.00 O ATOM 105 CB LEU A 8 0.831 9.164 -8.883 1.00 0.00 C ATOM 106 CG LEU A 8 -0.541 9.781 -8.549 1.00 0.00 C ATOM 107 CD1 LEU A 8 -1.409 9.931 -9.821 1.00 0.00 C ATOM 108 CD2 LEU A 8 -1.354 8.958 -7.482 1.00 0.00 C ATOM 0 H LEU A 8 3.106 10.714 -7.837 1.00 0.00 H new ATOM 0 HA LEU A 8 1.277 8.561 -6.886 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.298 9.764 -9.664 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.669 8.170 -9.299 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.319 10.759 -8.122 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.371 10.369 -9.555 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.900 10.579 -10.534 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.568 8.951 -10.271 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.309 9.449 -7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.532 7.950 -7.858 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.785 8.904 -6.554 1.00 0.00 H new ATOM 120 N GLU A 9 3.590 7.373 -7.278 1.00 0.00 N ATOM 121 CA GLU A 9 4.886 6.646 -7.425 1.00 0.00 C ATOM 122 C GLU A 9 4.701 5.164 -7.995 1.00 0.00 C ATOM 123 O GLU A 9 3.769 4.463 -7.611 1.00 0.00 O ATOM 124 CB GLU A 9 5.434 6.632 -5.938 1.00 0.00 C ATOM 125 CG GLU A 9 6.924 6.350 -5.792 1.00 0.00 C ATOM 126 CD GLU A 9 7.368 6.201 -4.365 1.00 0.00 C ATOM 127 OE1 GLU A 9 7.022 7.034 -3.488 1.00 0.00 O ATOM 128 OE2 GLU A 9 8.035 5.133 -4.122 1.00 0.00 O ATOM 0 H GLU A 9 3.103 7.136 -6.414 1.00 0.00 H new ATOM 0 HA GLU A 9 5.558 7.119 -8.141 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.218 7.597 -5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.882 5.881 -5.373 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.168 5.438 -6.337 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.486 7.160 -6.257 1.00 0.00 H new ATOM 135 N PRO A 10 5.590 4.630 -8.897 1.00 0.00 N ATOM 136 CA PRO A 10 5.513 3.210 -9.365 1.00 0.00 C ATOM 137 C PRO A 10 5.115 2.070 -8.418 1.00 0.00 C ATOM 138 O PRO A 10 4.498 1.093 -8.867 1.00 0.00 O ATOM 139 CB PRO A 10 6.855 3.012 -10.071 1.00 0.00 C ATOM 140 CG PRO A 10 7.327 4.408 -10.495 1.00 0.00 C ATOM 141 CD PRO A 10 6.741 5.351 -9.473 1.00 0.00 C ATOM 0 HA PRO A 10 4.623 3.109 -9.987 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.579 2.542 -9.405 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.747 2.358 -10.937 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.415 4.469 -10.508 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.982 4.652 -11.500 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.472 5.603 -8.705 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.428 6.287 -9.935 1.00 0.00 H new ATOM 149 N TRP A 11 5.577 2.113 -7.171 1.00 0.00 N ATOM 150 CA TRP A 11 4.831 1.435 -6.061 1.00 0.00 C ATOM 151 C TRP A 11 5.015 2.237 -4.728 1.00 0.00 C ATOM 152 O TRP A 11 6.064 2.055 -4.107 1.00 0.00 O ATOM 153 CB TRP A 11 5.320 -0.027 -5.868 1.00 0.00 C ATOM 154 CG TRP A 11 4.391 -0.909 -5.028 1.00 0.00 C ATOM 155 CD1 TRP A 11 3.209 -1.527 -5.485 1.00 0.00 C ATOM 156 CD2 TRP A 11 4.282 -0.853 -3.654 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.356 -1.869 -4.417 1.00 0.00 N ATOM 158 CE2 TRP A 11 3.044 -1.440 -3.293 1.00 0.00 C ATOM 159 CE3 TRP A 11 5.143 -0.317 -2.663 1.00 0.00 C ATOM 160 CZ2 TRP A 11 2.663 -1.504 -1.935 1.00 0.00 C ATOM 161 CZ3 TRP A 11 4.748 -0.397 -1.327 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.527 -0.985 -0.967 1.00 0.00 C ATOM 0 H TRP A 11 6.434 2.588 -6.887 1.00 0.00 H new ATOM 0 HA TRP A 11 3.775 1.409 -6.328 1.00 0.00 H new ATOM 0 HB2 TRP A 11 5.445 -0.486 -6.849 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.303 -0.007 -5.397 1.00 0.00 H new ATOM 0 HD1 TRP A 11 2.985 -1.715 -6.525 1.00 0.00 H new ATOM 0 HE1 TRP A 11 1.445 -2.326 -4.461 1.00 0.00 H new ATOM 0 HE3 TRP A 11 6.082 0.142 -2.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 1.720 -1.946 -1.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 5.393 0.001 -0.558 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.250 -1.038 0.075 1.00 0.00 H new ATOM 173 N ASN A 12 4.038 3.033 -4.226 1.00 0.00 N ATOM 174 CA ASN A 12 4.055 3.530 -2.797 1.00 0.00 C ATOM 175 C ASN A 12 2.582 3.842 -2.365 1.00 0.00 C ATOM 176 O ASN A 12 2.007 4.895 -2.666 1.00 0.00 O ATOM 177 CB ASN A 12 5.114 4.598 -2.580 1.00 0.00 C ATOM 178 CG ASN A 12 5.519 4.903 -1.146 1.00 0.00 C ATOM 179 OD1 ASN A 12 5.168 4.214 -0.190 1.00 0.00 O ATOM 180 ND2 ASN A 12 6.209 6.014 -0.962 1.00 0.00 N ATOM 0 H ASN A 12 3.233 3.349 -4.767 1.00 0.00 H new ATOM 0 HA ASN A 12 4.394 2.766 -2.097 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.009 4.300 -3.126 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.757 5.523 -3.033 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.457 6.310 -0.018 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.494 6.576 -1.764 1.00 0.00 H new ATOM 187 N HIS A 13 2.025 2.964 -1.504 1.00 0.00 N ATOM 188 CA HIS A 13 0.720 3.163 -0.876 1.00 0.00 C ATOM 189 C HIS A 13 0.835 3.296 0.702 1.00 0.00 C ATOM 190 O HIS A 13 0.973 2.272 1.374 1.00 0.00 O ATOM 191 CB HIS A 13 -0.219 1.955 -1.349 1.00 0.00 C ATOM 192 CG HIS A 13 -1.657 2.088 -0.938 1.00 0.00 C ATOM 193 ND1 HIS A 13 -2.550 1.037 -0.747 1.00 0.00 N ATOM 194 CD2 HIS A 13 -2.311 3.311 -0.978 1.00 0.00 C ATOM 195 CE1 HIS A 13 -3.705 1.727 -0.679 1.00 0.00 C ATOM 196 NE2 HIS A 13 -3.652 3.080 -0.810 1.00 0.00 N ATOM 0 H HIS A 13 2.479 2.093 -1.229 1.00 0.00 H new ATOM 0 HA HIS A 13 0.276 4.108 -1.191 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -0.170 1.877 -2.435 1.00 0.00 H new ATOM 0 HB3 HIS A 13 0.177 1.024 -0.944 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -2.379 0.034 -0.678 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -1.846 4.276 -1.117 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -4.646 1.220 -0.525 1.00 0.00 H new ATOM 205 N PRO A 14 0.665 4.470 1.347 1.00 0.00 N ATOM 206 CA PRO A 14 0.638 4.598 2.841 1.00 0.00 C ATOM 207 C PRO A 14 -0.492 3.858 3.705 1.00 0.00 C ATOM 208 O PRO A 14 -0.154 3.248 4.725 1.00 0.00 O ATOM 209 CB PRO A 14 0.639 6.123 2.978 1.00 0.00 C ATOM 210 CG PRO A 14 1.309 6.717 1.727 1.00 0.00 C ATOM 211 CD PRO A 14 0.914 5.728 0.663 1.00 0.00 C ATOM 0 HA PRO A 14 1.470 4.053 3.287 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.380 6.497 3.077 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.177 6.424 3.877 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.945 7.721 1.507 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.391 6.787 1.838 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.024 6.064 0.131 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.706 5.617 -0.078 1.00 0.00 H new ATOM 219 N GLY A 15 -1.765 3.951 3.297 1.00 0.00 N ATOM 220 CA GLY A 15 -3.001 3.511 4.038 1.00 0.00 C ATOM 221 C GLY A 15 -4.292 3.208 3.168 1.00 0.00 C ATOM 222 O GLY A 15 -4.180 2.322 2.303 1.00 0.00 O ATOM 0 H GLY A 15 -1.996 4.356 2.390 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.755 2.612 4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.255 4.284 4.763 1.00 0.00 H new ATOM 226 N SER A 16 -5.437 3.879 3.409 1.00 0.00 N ATOM 227 CA SER A 16 -6.649 3.780 2.523 1.00 0.00 C ATOM 228 C SER A 16 -7.685 4.826 3.101 1.00 0.00 C ATOM 229 O SER A 16 -7.591 6.042 2.829 1.00 0.00 O ATOM 230 CB SER A 16 -7.135 2.323 2.308 1.00 0.00 C ATOM 231 OG SER A 16 -7.494 1.738 3.577 1.00 0.00 O ATOM 0 H SER A 16 -5.563 4.500 4.208 1.00 0.00 H new ATOM 0 HA SER A 16 -6.442 4.050 1.487 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.993 2.311 1.635 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.350 1.734 1.834 1.00 0.00 H new ATOM 0 HG SER A 16 -6.691 1.381 4.012 1.00 0.00 H new ATOM 237 N GLN A 17 -8.726 4.374 3.860 1.00 0.00 N ATOM 238 CA GLN A 17 -10.053 5.077 3.903 1.00 0.00 C ATOM 239 C GLN A 17 -10.434 5.681 5.367 1.00 0.00 C ATOM 240 O GLN A 17 -10.076 5.101 6.408 1.00 0.00 O ATOM 241 CB GLN A 17 -11.168 4.138 3.403 1.00 0.00 C ATOM 242 CG GLN A 17 -11.238 3.887 1.876 1.00 0.00 C ATOM 243 CD GLN A 17 -11.858 5.010 1.070 1.00 0.00 C ATOM 244 OE1 GLN A 17 -12.709 5.736 1.543 1.00 0.00 O ATOM 245 NE2 GLN A 17 -11.381 5.315 -0.058 1.00 0.00 N ATOM 0 H GLN A 17 -8.678 3.539 4.444 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.963 5.937 3.239 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.050 3.175 3.900 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.126 4.547 3.724 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.228 3.709 1.506 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.808 2.975 1.699 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.665 4.727 -0.485 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.712 6.149 -0.543 1.00 0.00 H new ATOM 254 N PRO A 18 -11.209 6.818 5.480 1.00 0.00 N ATOM 255 CA PRO A 18 -11.970 7.428 4.354 1.00 0.00 C ATOM 256 C PRO A 18 -11.152 8.460 3.488 1.00 0.00 C ATOM 257 O PRO A 18 -10.704 9.485 3.994 1.00 0.00 O ATOM 258 CB PRO A 18 -13.165 8.106 5.061 1.00 0.00 C ATOM 259 CG PRO A 18 -12.661 8.409 6.476 1.00 0.00 C ATOM 260 CD PRO A 18 -11.601 7.354 6.792 1.00 0.00 C ATOM 0 HA PRO A 18 -12.253 6.673 3.621 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.465 9.018 4.544 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.036 7.451 5.083 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.239 9.412 6.531 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.478 8.367 7.197 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.749 7.792 7.312 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.001 6.571 7.437 1.00 0.00 H new ATOM 268 N ARG A 19 -10.942 8.150 2.173 1.00 0.00 N ATOM 269 CA ARG A 19 -10.085 8.888 1.129 1.00 0.00 C ATOM 270 C ARG A 19 -9.014 9.897 1.709 1.00 0.00 C ATOM 271 O ARG A 19 -9.042 11.124 1.544 1.00 0.00 O ATOM 272 CB ARG A 19 -10.993 9.465 0.006 1.00 0.00 C ATOM 273 CG ARG A 19 -10.988 8.659 -1.324 1.00 0.00 C ATOM 274 CD ARG A 19 -12.000 9.168 -2.376 1.00 0.00 C ATOM 275 NE ARG A 19 -12.041 8.326 -3.637 1.00 0.00 N ATOM 276 CZ ARG A 19 -12.727 8.652 -4.733 1.00 0.00 C ATOM 277 NH1 ARG A 19 -13.624 9.588 -4.790 1.00 0.00 N ATOM 278 NH2 ARG A 19 -12.505 7.982 -5.802 1.00 0.00 N ATOM 0 H ARG A 19 -11.386 7.328 1.764 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.432 8.143 0.674 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.016 9.517 0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.679 10.487 -0.205 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.987 8.693 -1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.205 7.614 -1.103 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.995 9.189 -1.931 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.749 10.195 -2.643 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.510 7.455 -3.647 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.846 10.133 -3.957 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.107 9.778 -5.668 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.821 7.225 -5.797 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.012 8.205 -6.658 1.00 0.00 H new ATOM 292 N THR A 20 -8.102 9.317 2.496 1.00 0.00 N ATOM 293 CA THR A 20 -7.376 10.076 3.553 1.00 0.00 C ATOM 294 C THR A 20 -6.058 10.811 3.079 1.00 0.00 C ATOM 295 O THR A 20 -5.914 12.038 3.287 1.00 0.00 O ATOM 296 CB THR A 20 -7.268 9.186 4.834 1.00 0.00 C ATOM 297 OG1 THR A 20 -8.530 8.703 5.246 1.00 0.00 O ATOM 298 CG2 THR A 20 -6.749 9.907 6.073 1.00 0.00 C ATOM 0 H THR A 20 -7.841 8.333 2.432 1.00 0.00 H new ATOM 0 HA THR A 20 -7.967 10.951 3.823 1.00 0.00 H new ATOM 0 HB THR A 20 -6.575 8.406 4.517 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.232 9.304 4.920 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.709 9.210 6.910 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.750 10.295 5.876 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.417 10.732 6.320 1.00 0.00 H new ATOM 306 N PRO A 21 -4.968 10.184 2.533 1.00 0.00 N ATOM 307 CA PRO A 21 -4.832 8.711 2.385 1.00 0.00 C ATOM 308 C PRO A 21 -4.153 7.929 3.553 1.00 0.00 C ATOM 309 O PRO A 21 -4.336 6.718 3.697 1.00 0.00 O ATOM 310 CB PRO A 21 -4.055 8.564 1.085 1.00 0.00 C ATOM 311 CG PRO A 21 -3.214 9.830 0.939 1.00 0.00 C ATOM 312 CD PRO A 21 -4.090 10.910 1.567 1.00 0.00 C ATOM 0 HA PRO A 21 -5.822 8.255 2.393 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.421 7.678 1.110 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.732 8.448 0.239 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.258 9.739 1.454 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.994 10.048 -0.106 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.486 11.663 2.072 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.680 11.429 0.811 1.00 0.00 H new ATOM 320 N CYS A 22 -3.355 8.566 4.433 1.00 0.00 N ATOM 321 CA CYS A 22 -2.469 7.858 5.374 1.00 0.00 C ATOM 322 C CYS A 22 -3.068 6.981 6.522 1.00 0.00 C ATOM 323 O CYS A 22 -2.557 5.887 6.806 1.00 0.00 O ATOM 324 CB CYS A 22 -1.379 8.889 5.847 1.00 0.00 C ATOM 325 SG CYS A 22 -0.051 8.138 6.862 1.00 0.00 S ATOM 0 H CYS A 22 -3.308 9.582 4.510 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.049 7.030 4.803 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.933 9.361 4.972 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -1.863 9.678 6.423 1.00 0.00 H new ATOM 0 HG CYS A 22 0.803 9.055 7.206 1.00 0.00 H new ATOM 331 N ASN A 23 -4.100 7.555 7.234 1.00 0.00 N ATOM 332 CA ASN A 23 -4.625 6.952 8.479 1.00 0.00 C ATOM 333 C ASN A 23 -3.657 6.948 9.686 1.00 0.00 C ATOM 334 O ASN A 23 -2.552 7.473 9.569 1.00 0.00 O ATOM 335 CB ASN A 23 -5.394 5.619 8.176 1.00 0.00 C ATOM 336 CG ASN A 23 -6.770 5.716 7.492 1.00 0.00 C ATOM 337 OD1 ASN A 23 -7.801 5.516 8.090 1.00 0.00 O ATOM 338 ND2 ASN A 23 -6.826 6.034 6.248 1.00 0.00 N ATOM 0 H ASN A 23 -4.566 8.419 6.959 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.378 7.636 8.870 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.753 4.999 7.549 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.527 5.089 9.119 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.730 6.114 5.782 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.967 6.207 5.727 1.00 0.00 H new ATOM 345 N LYS A 24 -4.048 6.434 10.863 1.00 0.00 N ATOM 346 CA LYS A 24 -3.071 6.002 11.930 1.00 0.00 C ATOM 347 C LYS A 24 -2.860 4.451 12.076 1.00 0.00 C ATOM 348 O LYS A 24 -2.791 3.906 13.170 1.00 0.00 O ATOM 349 CB LYS A 24 -3.489 6.770 13.214 1.00 0.00 C ATOM 350 CG LYS A 24 -2.443 6.758 14.370 1.00 0.00 C ATOM 351 CD LYS A 24 -2.849 7.606 15.588 1.00 0.00 C ATOM 352 CE LYS A 24 -1.878 7.518 16.775 1.00 0.00 C ATOM 353 NZ LYS A 24 -2.484 8.208 17.943 1.00 0.00 N ATOM 0 H LYS A 24 -5.026 6.299 11.119 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.052 6.271 11.653 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.697 7.806 12.946 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.421 6.343 13.585 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.285 5.729 14.693 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.490 7.122 13.988 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.932 8.648 15.279 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.839 7.292 15.920 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.673 6.475 17.018 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.925 7.979 16.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.834 8.154 18.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.659 9.205 17.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.384 7.748 18.190 1.00 0.00 H new ATOM 367 N CYS A 25 -2.719 3.711 10.949 1.00 0.00 N ATOM 368 CA CYS A 25 -2.527 2.215 10.850 1.00 0.00 C ATOM 369 C CYS A 25 -2.383 1.834 9.320 1.00 0.00 C ATOM 370 O CYS A 25 -3.153 2.329 8.460 1.00 0.00 O ATOM 371 CB CYS A 25 -3.732 1.516 11.495 1.00 0.00 C ATOM 372 SG CYS A 25 -3.710 -0.280 11.067 1.00 0.00 S ATOM 0 H CYS A 25 -2.735 4.150 10.028 1.00 0.00 H new ATOM 0 HA CYS A 25 -1.628 1.893 11.376 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.702 1.642 12.577 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.659 1.972 11.146 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.612 -0.418 9.778 1.00 0.00 H new ATOM 378 N TYR A 26 -1.460 0.947 8.952 1.00 0.00 N ATOM 379 CA TYR A 26 -1.270 0.498 7.524 1.00 0.00 C ATOM 380 C TYR A 26 -2.510 -0.273 6.938 1.00 0.00 C ATOM 381 O TYR A 26 -3.169 -1.021 7.655 1.00 0.00 O ATOM 382 CB TYR A 26 -0.031 -0.441 7.429 1.00 0.00 C ATOM 383 CG TYR A 26 1.339 0.237 7.319 1.00 0.00 C ATOM 384 CD1 TYR A 26 1.756 0.812 6.115 1.00 0.00 C ATOM 385 CD2 TYR A 26 2.238 0.142 8.386 1.00 0.00 C ATOM 386 CE1 TYR A 26 3.057 1.292 5.984 1.00 0.00 C ATOM 387 CE2 TYR A 26 3.538 0.622 8.253 1.00 0.00 C ATOM 388 CZ TYR A 26 3.946 1.197 7.052 1.00 0.00 C ATOM 389 OH TYR A 26 5.220 1.672 6.920 1.00 0.00 O ATOM 0 H TYR A 26 -0.815 0.507 9.609 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.135 1.407 6.938 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.023 -1.084 8.309 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.161 -1.089 6.562 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.068 0.884 5.285 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.923 -0.306 9.317 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.377 1.738 5.054 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.229 0.549 9.080 1.00 0.00 H new ATOM 0 HH TYR A 26 5.258 2.304 6.172 1.00 0.00 H new ATOM 399 N CYS A 27 -2.815 -0.057 5.672 1.00 0.00 N ATOM 400 CA CYS A 27 -4.023 -0.610 4.983 1.00 0.00 C ATOM 401 C CYS A 27 -5.358 -0.031 5.613 1.00 0.00 C ATOM 402 O CYS A 27 -5.732 1.108 5.326 1.00 0.00 O ATOM 403 CB CYS A 27 -3.911 -2.141 4.802 1.00 0.00 C ATOM 404 SG CYS A 27 -5.338 -2.760 3.826 1.00 0.00 S ATOM 0 H CYS A 27 -2.234 0.516 5.060 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.075 -0.255 3.954 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.978 -2.389 4.296 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.885 -2.630 5.776 1.00 0.00 H new ATOM 0 HG CYS A 27 -5.611 -3.980 4.183 1.00 0.00 H new ATOM 410 N LYS A 28 -6.011 -0.757 6.536 1.00 0.00 N ATOM 411 CA LYS A 28 -7.126 -0.223 7.399 1.00 0.00 C ATOM 412 C LYS A 28 -8.497 -0.002 6.686 1.00 0.00 C ATOM 413 O LYS A 28 -8.745 1.040 6.095 1.00 0.00 O ATOM 414 CB LYS A 28 -6.692 0.908 8.433 1.00 0.00 C ATOM 415 CG LYS A 28 -7.417 0.917 9.830 1.00 0.00 C ATOM 416 CD LYS A 28 -8.888 1.398 9.915 1.00 0.00 C ATOM 417 CE LYS A 28 -9.042 2.921 9.532 1.00 0.00 C ATOM 418 NZ LYS A 28 -9.413 3.036 8.076 1.00 0.00 N ATOM 0 H LYS A 28 -5.794 -1.737 6.720 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.354 -1.070 8.046 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.620 0.813 8.608 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.853 1.878 7.962 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.380 -0.098 10.225 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.828 1.542 10.501 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.505 0.794 9.249 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.262 1.240 10.927 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.808 3.388 10.152 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.110 3.452 9.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.142 3.976 7.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.914 2.304 7.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.439 2.908 7.968 1.00 0.00 H new ATOM 432 N LYS A 29 -9.423 -0.977 6.770 1.00 0.00 N ATOM 433 CA LYS A 29 -10.821 -0.867 6.194 1.00 0.00 C ATOM 434 C LYS A 29 -11.758 0.257 6.844 1.00 0.00 C ATOM 435 O LYS A 29 -11.728 0.499 8.056 1.00 0.00 O ATOM 436 CB LYS A 29 -11.423 -2.321 6.324 1.00 0.00 C ATOM 437 CG LYS A 29 -12.820 -2.640 5.790 1.00 0.00 C ATOM 438 CD LYS A 29 -13.927 -2.423 6.859 1.00 0.00 C ATOM 439 CE LYS A 29 -15.321 -2.679 6.294 1.00 0.00 C ATOM 440 NZ LYS A 29 -16.334 -2.260 7.300 1.00 0.00 N ATOM 0 H LYS A 29 -9.246 -1.868 7.233 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.768 -0.521 5.162 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.728 -3.001 5.830 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.419 -2.576 7.384 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.027 -2.012 4.924 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.848 -3.674 5.447 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.750 -3.088 7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.871 -1.403 7.238 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.459 -2.124 5.366 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.442 -3.735 6.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.265 -2.641 7.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.065 -2.624 8.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.382 -1.222 7.333 1.00 0.00 H new ATOM 454 N CYS A 30 -12.649 0.964 6.087 1.00 0.00 N ATOM 455 CA CYS A 30 -13.801 1.709 6.705 1.00 0.00 C ATOM 456 C CYS A 30 -15.202 1.296 6.147 1.00 0.00 C ATOM 457 O CYS A 30 -15.995 0.666 6.843 1.00 0.00 O ATOM 458 CB CYS A 30 -13.409 3.215 6.779 1.00 0.00 C ATOM 459 SG CYS A 30 -14.521 4.121 7.873 1.00 0.00 S ATOM 0 H CYS A 30 -12.599 1.036 5.071 1.00 0.00 H new ATOM 0 HA CYS A 30 -13.975 1.411 7.739 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.384 3.310 7.137 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -13.440 3.652 5.781 1.00 0.00 H new ATOM 0 HG CYS A 30 -14.166 5.371 7.914 1.00 0.00 H new ATOM 465 N CYS A 31 -15.648 1.507 4.899 1.00 0.00 N ATOM 466 CA CYS A 31 -14.847 2.046 3.749 1.00 0.00 C ATOM 467 C CYS A 31 -14.237 0.944 2.821 1.00 0.00 C ATOM 468 O CYS A 31 -13.809 -0.108 3.292 1.00 0.00 O ATOM 469 CB CYS A 31 -15.788 3.111 3.100 1.00 0.00 C ATOM 470 SG CYS A 31 -17.344 2.352 2.480 1.00 0.00 S ATOM 0 H CYS A 31 -16.612 1.304 4.635 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.915 2.523 4.052 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.026 3.882 3.833 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.269 3.602 2.277 1.00 0.00 H new ATOM 0 HG CYS A 31 -18.095 3.272 1.952 1.00 0.00 H new ATOM 476 N TYR A 32 -14.051 1.211 1.509 1.00 0.00 N ATOM 477 CA TYR A 32 -13.387 0.285 0.549 1.00 0.00 C ATOM 478 C TYR A 32 -11.864 0.017 0.891 1.00 0.00 C ATOM 479 O TYR A 32 -10.991 0.887 0.740 1.00 0.00 O ATOM 480 CB TYR A 32 -13.464 0.833 -0.906 1.00 0.00 C ATOM 481 CG TYR A 32 -12.805 -0.018 -1.997 1.00 0.00 C ATOM 482 CD1 TYR A 32 -11.450 0.139 -2.303 1.00 0.00 C ATOM 483 CD2 TYR A 32 -13.543 -1.024 -2.629 1.00 0.00 C ATOM 484 CE1 TYR A 32 -10.840 -0.707 -3.226 1.00 0.00 C ATOM 485 CE2 TYR A 32 -12.931 -1.867 -3.552 1.00 0.00 C ATOM 486 CZ TYR A 32 -11.580 -1.708 -3.849 1.00 0.00 C ATOM 487 OH TYR A 32 -10.977 -2.537 -4.753 1.00 0.00 O ATOM 0 H TYR A 32 -14.359 2.082 1.077 1.00 0.00 H new ATOM 0 HA TYR A 32 -13.932 -0.655 0.636 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -14.515 0.965 -1.165 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -13.005 1.822 -0.922 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.875 0.917 -1.823 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -14.591 -1.147 -2.400 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.792 -0.586 -3.459 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -13.503 -2.644 -4.037 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.219 -2.261 -5.662 1.00 0.00 H new ATOM 497 N HIS A 33 -11.494 -1.262 1.072 1.00 0.00 N ATOM 498 CA HIS A 33 -10.391 -1.960 0.336 1.00 0.00 C ATOM 499 C HIS A 33 -10.820 -3.449 0.115 1.00 0.00 C ATOM 500 O HIS A 33 -10.804 -4.268 1.069 1.00 0.00 O ATOM 501 CB HIS A 33 -8.973 -1.894 0.929 1.00 0.00 C ATOM 502 CG HIS A 33 -7.951 -2.533 0.034 1.00 0.00 C ATOM 503 ND1 HIS A 33 -7.630 -3.888 0.002 1.00 0.00 N ATOM 504 CD2 HIS A 33 -7.538 -1.885 -1.121 1.00 0.00 C ATOM 505 CE1 HIS A 33 -7.038 -3.955 -1.206 1.00 0.00 C ATOM 506 NE2 HIS A 33 -6.939 -2.811 -1.936 1.00 0.00 N ATOM 0 H HIS A 33 -11.957 -1.868 1.749 1.00 0.00 H new ATOM 0 HA HIS A 33 -10.279 -1.401 -0.593 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.702 -0.852 1.101 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.964 -2.390 1.899 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -7.796 -4.619 0.694 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.666 -0.835 -1.340 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.653 -4.890 -1.584 1.00 0.00 H new ATOM 515 N CYS A 34 -11.186 -3.811 -1.123 1.00 0.00 N ATOM 516 CA CYS A 34 -11.371 -5.202 -1.530 1.00 0.00 C ATOM 517 C CYS A 34 -10.194 -6.191 -1.251 1.00 0.00 C ATOM 518 O CYS A 34 -9.148 -6.056 -1.863 1.00 0.00 O ATOM 519 CB CYS A 34 -11.815 -5.152 -3.009 1.00 0.00 C ATOM 520 SG CYS A 34 -12.169 -6.861 -3.609 1.00 0.00 S ATOM 0 H CYS A 34 -11.362 -3.140 -1.871 1.00 0.00 H new ATOM 0 HA CYS A 34 -12.130 -5.652 -0.890 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -12.703 -4.529 -3.111 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.034 -4.697 -3.618 1.00 0.00 H new ATOM 0 HG CYS A 34 -11.180 -7.644 -3.296 1.00 0.00 H new ATOM 526 N GLN A 35 -10.338 -7.154 -0.301 1.00 0.00 N ATOM 527 CA GLN A 35 -9.458 -8.358 -0.089 1.00 0.00 C ATOM 528 C GLN A 35 -7.948 -8.048 0.244 1.00 0.00 C ATOM 529 O GLN A 35 -7.568 -7.842 1.421 1.00 0.00 O ATOM 530 CB GLN A 35 -9.754 -9.404 -1.225 1.00 0.00 C ATOM 531 CG GLN A 35 -9.388 -10.889 -1.011 1.00 0.00 C ATOM 532 CD GLN A 35 -10.181 -11.619 0.085 1.00 0.00 C ATOM 533 OE1 GLN A 35 -10.069 -11.356 1.293 1.00 0.00 O ATOM 534 NE2 GLN A 35 -11.059 -12.499 -0.316 1.00 0.00 N ATOM 0 H GLN A 35 -11.102 -7.120 0.373 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.725 -8.836 0.853 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.822 -9.359 -1.439 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.235 -9.066 -2.122 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.532 -11.419 -1.952 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.327 -10.952 -0.769 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.149 -12.713 -1.309 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.654 -12.972 0.364 1.00 0.00 H new ATOM 543 N MET A 36 -7.070 -8.011 -0.780 1.00 0.00 N ATOM 544 CA MET A 36 -5.585 -8.057 -0.618 1.00 0.00 C ATOM 545 C MET A 36 -4.973 -6.965 0.354 1.00 0.00 C ATOM 546 O MET A 36 -4.830 -5.825 -0.069 1.00 0.00 O ATOM 547 CB MET A 36 -5.073 -9.516 -0.391 1.00 0.00 C ATOM 548 CG MET A 36 -5.154 -10.479 -1.591 1.00 0.00 C ATOM 549 SD MET A 36 -4.540 -12.131 -1.116 1.00 0.00 S ATOM 550 CE MET A 36 -4.924 -13.024 -2.591 1.00 0.00 C ATOM 0 H MET A 36 -7.365 -7.948 -1.754 1.00 0.00 H new ATOM 0 HA MET A 36 -5.172 -7.742 -1.576 1.00 0.00 H new ATOM 0 HB2 MET A 36 -4.033 -9.464 -0.068 1.00 0.00 H new ATOM 0 HB3 MET A 36 -5.641 -9.951 0.431 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.184 -10.552 -1.939 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.564 -10.089 -2.420 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.615 -14.063 -2.478 1.00 0.00 H new ATOM 0 HE2 MET A 36 -5.998 -12.983 -2.772 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.397 -12.578 -3.434 1.00 0.00 H new ATOM 560 N CYS A 37 -4.663 -7.315 1.636 1.00 0.00 N ATOM 561 CA CYS A 37 -4.139 -6.316 2.601 1.00 0.00 C ATOM 562 C CYS A 37 -2.796 -5.604 2.205 1.00 0.00 C ATOM 563 O CYS A 37 -2.818 -4.453 1.763 1.00 0.00 O ATOM 564 CB CYS A 37 -4.127 -7.030 3.971 1.00 0.00 C ATOM 565 SG CYS A 37 -3.727 -5.864 5.325 1.00 0.00 S ATOM 0 H CYS A 37 -4.765 -8.257 2.013 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.792 -5.443 2.621 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.100 -7.484 4.155 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.396 -7.838 3.956 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.729 -6.499 6.459 1.00 0.00 H new ATOM 571 N PHE A 38 -1.675 -6.298 2.317 1.00 0.00 N ATOM 572 CA PHE A 38 -0.376 -5.905 1.752 1.00 0.00 C ATOM 573 C PHE A 38 0.557 -7.165 1.706 1.00 0.00 C ATOM 574 O PHE A 38 1.106 -7.534 2.759 1.00 0.00 O ATOM 575 CB PHE A 38 0.365 -4.757 2.503 1.00 0.00 C ATOM 576 CG PHE A 38 -0.017 -3.323 2.108 1.00 0.00 C ATOM 577 CD1 PHE A 38 0.049 -2.909 0.775 1.00 0.00 C ATOM 578 CD2 PHE A 38 -0.339 -2.393 3.103 1.00 0.00 C ATOM 579 CE1 PHE A 38 -0.212 -1.582 0.442 1.00 0.00 C ATOM 580 CE2 PHE A 38 -0.610 -1.071 2.768 1.00 0.00 C ATOM 581 CZ PHE A 38 -0.544 -0.664 1.438 1.00 0.00 C ATOM 0 H PHE A 38 -1.634 -7.184 2.821 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.597 -5.509 0.761 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.185 -4.876 3.571 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.436 -4.881 2.344 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.303 -3.619 0.002 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.377 -2.704 4.137 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.157 -1.264 -0.589 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.871 -0.361 3.538 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.750 0.364 1.177 1.00 0.00 H new ATOM 591 N ILE A 39 0.840 -7.741 0.511 1.00 0.00 N ATOM 592 CA ILE A 39 1.890 -8.805 0.300 1.00 0.00 C ATOM 593 C ILE A 39 3.197 -8.115 -0.271 1.00 0.00 C ATOM 594 O ILE A 39 3.179 -7.323 -1.211 1.00 0.00 O ATOM 595 CB ILE A 39 1.352 -10.034 -0.501 1.00 0.00 C ATOM 596 CG1 ILE A 39 0.382 -9.806 -1.667 1.00 0.00 C ATOM 597 CG2 ILE A 39 0.642 -11.025 0.426 1.00 0.00 C ATOM 598 CD1 ILE A 39 0.820 -8.965 -2.854 1.00 0.00 C ATOM 0 H ILE A 39 0.351 -7.488 -0.347 1.00 0.00 H new ATOM 0 HA ILE A 39 2.168 -9.263 1.249 1.00 0.00 H new ATOM 0 HB ILE A 39 2.282 -10.391 -0.944 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.096 -10.786 -2.049 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.518 -9.348 -1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.277 -11.871 -0.157 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.341 -11.380 1.183 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.199 -10.530 0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.009 -8.911 -3.581 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.071 -7.960 -2.515 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.695 -9.420 -3.319 1.00 0.00 H new ATOM 610 N THR A 40 4.340 -8.320 0.414 1.00 0.00 N ATOM 611 CA THR A 40 5.542 -7.484 0.258 1.00 0.00 C ATOM 612 C THR A 40 6.457 -7.869 -0.966 1.00 0.00 C ATOM 613 O THR A 40 7.583 -8.373 -0.885 1.00 0.00 O ATOM 614 CB THR A 40 6.347 -7.299 1.543 1.00 0.00 C ATOM 615 OG1 THR A 40 7.071 -8.472 1.869 1.00 0.00 O ATOM 616 CG2 THR A 40 5.727 -6.726 2.825 1.00 0.00 C ATOM 0 H THR A 40 4.453 -9.073 1.093 1.00 0.00 H new ATOM 0 HA THR A 40 5.129 -6.505 0.016 1.00 0.00 H new ATOM 0 HB THR A 40 6.959 -6.459 1.216 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.575 -8.774 1.085 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.484 -6.686 3.609 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.352 -5.721 2.630 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.904 -7.364 3.148 1.00 0.00 H new ATOM 624 N LYS A 41 6.029 -7.481 -2.201 1.00 0.00 N ATOM 625 CA LYS A 41 6.724 -7.830 -3.479 1.00 0.00 C ATOM 626 C LYS A 41 7.515 -6.620 -4.023 1.00 0.00 C ATOM 627 O LYS A 41 7.026 -5.757 -4.757 1.00 0.00 O ATOM 628 CB LYS A 41 5.724 -8.498 -4.488 1.00 0.00 C ATOM 629 CG LYS A 41 4.252 -8.083 -4.543 1.00 0.00 C ATOM 630 CD LYS A 41 3.948 -6.660 -5.076 1.00 0.00 C ATOM 631 CE LYS A 41 2.517 -6.232 -4.769 1.00 0.00 C ATOM 632 NZ LYS A 41 2.208 -4.931 -5.449 1.00 0.00 N ATOM 0 H LYS A 41 5.191 -6.916 -2.341 1.00 0.00 H new ATOM 0 HA LYS A 41 7.483 -8.591 -3.298 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.134 -8.348 -5.487 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.745 -9.570 -4.292 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.720 -8.801 -5.167 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.838 -8.165 -3.538 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.643 -5.949 -4.630 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.112 -6.633 -6.153 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.820 -7.000 -5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.384 -6.128 -3.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.248 -4.624 -5.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.894 -4.210 -5.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.267 -5.056 -6.480 1.00 0.00 H new ATOM 646 N GLY A 42 8.827 -6.591 -3.651 1.00 0.00 N ATOM 647 CA GLY A 42 9.709 -5.424 -3.988 1.00 0.00 C ATOM 648 C GLY A 42 10.155 -4.518 -2.803 1.00 0.00 C ATOM 649 O GLY A 42 9.384 -3.648 -2.381 1.00 0.00 O ATOM 0 H GLY A 42 9.291 -7.337 -3.133 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.604 -5.805 -4.480 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.186 -4.801 -4.714 1.00 0.00 H new ATOM 653 N LEU A 43 11.336 -4.752 -2.231 1.00 0.00 N ATOM 654 CA LEU A 43 11.795 -4.051 -0.979 1.00 0.00 C ATOM 655 C LEU A 43 12.499 -2.642 -1.181 1.00 0.00 C ATOM 656 O LEU A 43 13.691 -2.458 -0.872 1.00 0.00 O ATOM 657 CB LEU A 43 12.618 -5.013 -0.097 1.00 0.00 C ATOM 658 CG LEU A 43 12.042 -6.348 0.483 1.00 0.00 C ATOM 659 CD1 LEU A 43 12.948 -6.926 1.594 1.00 0.00 C ATOM 660 CD2 LEU A 43 10.634 -6.208 1.101 1.00 0.00 C ATOM 0 H LEU A 43 12.013 -5.421 -2.599 1.00 0.00 H new ATOM 0 HA LEU A 43 10.881 -3.777 -0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.501 -5.284 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.964 -4.430 0.756 1.00 0.00 H new ATOM 0 HG LEU A 43 11.993 -7.007 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.515 -7.852 1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.939 -7.128 1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 43 13.030 -6.206 2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.305 -7.176 1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.666 -5.489 1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.935 -5.860 0.340 1.00 0.00 H new ATOM 672 N GLY A 44 11.756 -1.625 -1.736 1.00 0.00 N ATOM 673 CA GLY A 44 12.278 -0.238 -1.926 1.00 0.00 C ATOM 674 C GLY A 44 12.426 0.520 -0.566 1.00 0.00 C ATOM 675 O GLY A 44 13.502 0.456 -0.010 1.00 0.00 O ATOM 0 H GLY A 44 10.796 -1.748 -2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.246 -0.279 -2.426 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.605 0.317 -2.580 1.00 0.00 H new ATOM 679 N ILE A 45 11.382 1.192 -0.019 1.00 0.00 N ATOM 680 CA ILE A 45 11.354 1.493 1.455 1.00 0.00 C ATOM 681 C ILE A 45 10.058 0.918 2.091 1.00 0.00 C ATOM 682 O ILE A 45 10.148 -0.068 2.829 1.00 0.00 O ATOM 683 CB ILE A 45 11.748 2.998 1.743 1.00 0.00 C ATOM 684 CG1 ILE A 45 13.273 3.217 1.424 1.00 0.00 C ATOM 685 CG2 ILE A 45 11.472 3.476 3.226 1.00 0.00 C ATOM 686 CD1 ILE A 45 13.857 4.672 1.509 1.00 0.00 C ATOM 0 H ILE A 45 10.574 1.529 -0.542 1.00 0.00 H new ATOM 0 HA ILE A 45 12.140 0.964 1.994 1.00 0.00 H new ATOM 0 HB ILE A 45 11.108 3.596 1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 45 13.847 2.589 2.106 1.00 0.00 H new ATOM 0 HG13 ILE A 45 13.457 2.845 0.416 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.771 4.519 3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.409 3.379 3.448 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.045 2.860 3.919 1.00 0.00 H new ATOM 0 HD11 ILE A 45 14.918 4.653 1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.331 5.317 0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.727 5.058 2.520 1.00 0.00 H new ATOM 698 N SER A 46 8.890 1.519 1.805 1.00 0.00 N ATOM 699 CA SER A 46 7.556 1.134 2.395 1.00 0.00 C ATOM 700 C SER A 46 7.094 -0.370 2.540 1.00 0.00 C ATOM 701 O SER A 46 6.527 -0.774 3.544 1.00 0.00 O ATOM 702 CB SER A 46 6.558 2.038 1.668 1.00 0.00 C ATOM 703 OG SER A 46 6.520 1.873 0.269 1.00 0.00 O ATOM 0 H SER A 46 8.824 2.299 1.151 1.00 0.00 H new ATOM 0 HA SER A 46 7.640 1.281 3.472 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.562 1.851 2.069 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.802 3.077 1.891 1.00 0.00 H new ATOM 0 HG SER A 46 6.041 2.626 -0.136 1.00 0.00 H new ATOM 709 N TYR A 47 7.381 -1.217 1.556 1.00 0.00 N ATOM 710 CA TYR A 47 7.565 -2.685 1.697 1.00 0.00 C ATOM 711 C TYR A 47 8.983 -3.028 2.293 1.00 0.00 C ATOM 712 O TYR A 47 10.005 -2.801 1.629 1.00 0.00 O ATOM 713 CB TYR A 47 7.447 -3.376 0.307 1.00 0.00 C ATOM 714 CG TYR A 47 6.030 -3.655 -0.205 1.00 0.00 C ATOM 715 CD1 TYR A 47 4.930 -3.564 0.653 1.00 0.00 C ATOM 716 CD2 TYR A 47 5.860 -4.177 -1.492 1.00 0.00 C ATOM 717 CE1 TYR A 47 3.673 -3.985 0.225 1.00 0.00 C ATOM 718 CE2 TYR A 47 4.603 -4.598 -1.916 1.00 0.00 C ATOM 719 CZ TYR A 47 3.511 -4.502 -1.057 1.00 0.00 C ATOM 720 OH TYR A 47 2.276 -4.911 -1.474 1.00 0.00 O ATOM 0 H TYR A 47 7.500 -0.901 0.593 1.00 0.00 H new ATOM 0 HA TYR A 47 6.789 -3.046 2.372 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.957 -2.753 -0.427 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.985 -4.323 0.351 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.055 -3.167 1.649 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.707 -4.253 -2.158 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.824 -3.910 0.888 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.474 -4.999 -2.911 1.00 0.00 H new ATOM 0 HH TYR A 47 2.181 -5.874 -1.319 1.00 0.00 H new ATOM 730 N GLY A 48 8.985 -3.642 3.496 1.00 0.00 N ATOM 731 CA GLY A 48 10.228 -3.691 4.300 1.00 0.00 C ATOM 732 C GLY A 48 10.173 -4.724 5.487 1.00 0.00 C ATOM 733 O GLY A 48 9.344 -4.625 6.377 1.00 0.00 O ATOM 0 H GLY A 48 8.175 -4.094 3.920 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.063 -3.945 3.647 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.429 -2.698 4.703 1.00 0.00 H new ATOM 737 N ARG A 49 11.173 -5.616 5.538 1.00 0.00 N ATOM 738 CA ARG A 49 11.507 -6.465 6.692 1.00 0.00 C ATOM 739 C ARG A 49 12.187 -5.543 7.752 1.00 0.00 C ATOM 740 O ARG A 49 11.474 -5.158 8.679 1.00 0.00 O ATOM 741 CB ARG A 49 12.227 -7.744 6.171 1.00 0.00 C ATOM 742 CG ARG A 49 12.409 -8.821 7.240 1.00 0.00 C ATOM 743 CD ARG A 49 12.908 -10.124 6.590 1.00 0.00 C ATOM 744 NE ARG A 49 13.081 -11.175 7.644 1.00 0.00 N ATOM 745 CZ ARG A 49 13.622 -12.381 7.410 1.00 0.00 C ATOM 746 NH1 ARG A 49 14.024 -12.790 6.230 1.00 0.00 N ATOM 747 NH2 ARG A 49 13.783 -13.174 8.414 1.00 0.00 N ATOM 0 H ARG A 49 11.796 -5.772 4.746 1.00 0.00 H new ATOM 0 HA ARG A 49 10.670 -6.897 7.241 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.656 -8.160 5.341 1.00 0.00 H new ATOM 0 HB3 ARG A 49 13.205 -7.466 5.777 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.122 -8.483 7.992 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.464 -8.999 7.754 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.196 -10.463 5.837 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.854 -9.948 6.078 1.00 0.00 H new ATOM 0 HE ARG A 49 12.770 -10.962 8.592 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.934 -12.177 5.420 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.427 -13.721 6.123 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.502 -12.877 9.349 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.191 -14.098 8.274 1.00 0.00 H new ATOM 761 N LYS A 50 13.475 -5.211 7.612 1.00 0.00 N ATOM 762 CA LYS A 50 14.118 -4.042 8.339 1.00 0.00 C ATOM 763 C LYS A 50 14.174 -2.743 7.424 1.00 0.00 C ATOM 764 O LYS A 50 15.257 -2.163 7.338 1.00 0.00 O ATOM 765 CB LYS A 50 15.553 -4.513 8.813 1.00 0.00 C ATOM 766 CG LYS A 50 16.265 -3.649 9.919 1.00 0.00 C ATOM 767 CD LYS A 50 17.769 -3.968 10.109 1.00 0.00 C ATOM 768 CE LYS A 50 18.521 -3.073 11.120 1.00 0.00 C ATOM 769 NZ LYS A 50 19.974 -3.485 11.191 1.00 0.00 N ATOM 0 H LYS A 50 14.119 -5.720 7.006 1.00 0.00 H new ATOM 0 HA LYS A 50 13.522 -3.755 9.206 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.468 -5.534 9.185 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.204 -4.546 7.939 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.159 -2.595 9.664 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.751 -3.800 10.868 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.864 -5.006 10.429 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.264 -3.887 9.141 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.445 -2.028 10.821 1.00 0.00 H new ATOM 0 HE3 LYS A 50 18.062 -3.157 12.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.474 -2.879 11.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.039 -4.477 11.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.410 -3.383 10.252 1.00 0.00 H new ATOM 783 N LYS A 51 13.044 -2.281 6.826 1.00 0.00 N ATOM 784 CA LYS A 51 12.869 -0.923 6.213 1.00 0.00 C ATOM 785 C LYS A 51 11.434 -0.314 6.713 1.00 0.00 C ATOM 786 O LYS A 51 11.233 -0.130 7.933 1.00 0.00 O ATOM 787 CB LYS A 51 13.045 -0.985 4.622 1.00 0.00 C ATOM 788 CG LYS A 51 14.508 -1.093 4.120 1.00 0.00 C ATOM 789 CD LYS A 51 14.634 -0.960 2.563 1.00 0.00 C ATOM 790 CE LYS A 51 16.062 -0.774 1.981 1.00 0.00 C ATOM 791 NZ LYS A 51 15.934 -0.802 0.500 1.00 0.00 N ATOM 0 H LYS A 51 12.203 -2.853 6.751 1.00 0.00 H new ATOM 0 HA LYS A 51 13.648 -0.238 6.547 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.485 -1.840 4.244 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.595 -0.092 4.188 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.107 -0.316 4.595 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.923 -2.051 4.432 1.00 0.00 H new ATOM 0 HD2 LYS A 51 14.198 -1.851 2.111 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.027 -0.112 2.246 1.00 0.00 H new ATOM 0 HE2 LYS A 51 16.494 0.170 2.313 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.726 -1.567 2.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 16.818 -0.465 0.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.745 -1.775 0.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.149 -0.185 0.208 1.00 0.00 H new ATOM 805 N ARG A 52 10.444 -0.123 5.825 1.00 0.00 N ATOM 806 CA ARG A 52 9.017 0.249 6.092 1.00 0.00 C ATOM 807 C ARG A 52 8.825 1.639 6.795 1.00 0.00 C ATOM 808 O ARG A 52 8.864 1.759 8.025 1.00 0.00 O ATOM 809 CB ARG A 52 8.328 -0.955 6.806 1.00 0.00 C ATOM 810 CG ARG A 52 6.842 -0.858 7.145 1.00 0.00 C ATOM 811 CD ARG A 52 6.333 -2.065 7.928 1.00 0.00 C ATOM 812 NE ARG A 52 6.862 -2.044 9.354 1.00 0.00 N ATOM 813 CZ ARG A 52 7.840 -2.808 9.837 1.00 0.00 C ATOM 814 NH1 ARG A 52 8.569 -3.640 9.141 1.00 0.00 N ATOM 815 NH2 ARG A 52 8.089 -2.675 11.112 1.00 0.00 N ATOM 0 H ARG A 52 10.617 -0.229 4.825 1.00 0.00 H new ATOM 0 HA ARG A 52 8.510 0.424 5.143 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.466 -1.834 6.177 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.867 -1.140 7.735 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.665 0.047 7.726 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.269 -0.761 6.223 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.243 -2.064 7.939 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.646 -2.984 7.433 1.00 0.00 H new ATOM 0 HE ARG A 52 6.428 -1.384 9.999 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.408 -3.744 8.139 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.299 -4.186 9.600 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.547 -2.016 11.671 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.825 -3.230 11.548 1.00 0.00 H new ATOM 829 N ARG A 53 8.595 2.708 5.986 1.00 0.00 N ATOM 830 CA ARG A 53 8.049 4.020 6.448 1.00 0.00 C ATOM 831 C ARG A 53 6.736 4.462 5.689 1.00 0.00 C ATOM 832 O ARG A 53 6.183 3.662 4.928 1.00 0.00 O ATOM 833 CB ARG A 53 9.291 4.971 6.622 1.00 0.00 C ATOM 834 CG ARG A 53 9.027 6.239 7.478 1.00 0.00 C ATOM 835 CD ARG A 53 10.286 7.042 7.819 1.00 0.00 C ATOM 836 NE ARG A 53 10.693 7.907 6.648 1.00 0.00 N ATOM 837 CZ ARG A 53 11.504 8.940 6.781 1.00 0.00 C ATOM 838 NH1 ARG A 53 12.248 9.152 7.836 1.00 0.00 N ATOM 839 NH2 ARG A 53 11.608 9.783 5.854 1.00 0.00 N ATOM 0 H ARG A 53 8.784 2.686 4.984 1.00 0.00 H new ATOM 0 HA ARG A 53 7.580 4.011 7.432 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.103 4.405 7.078 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.634 5.281 5.635 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.331 6.886 6.943 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.537 5.942 8.405 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.101 7.666 8.693 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.099 6.363 8.078 1.00 0.00 H new ATOM 0 HE ARG A 53 10.328 7.684 5.722 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.222 8.498 8.618 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.854 9.971 7.876 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.065 9.669 4.998 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.235 10.581 5.958 1.00 0.00 H new ATOM 853 N GLN A 54 6.185 5.634 6.002 1.00 0.00 N ATOM 854 CA GLN A 54 4.799 5.968 5.621 1.00 0.00 C ATOM 855 C GLN A 54 4.701 7.525 5.460 1.00 0.00 C ATOM 856 O GLN A 54 4.845 8.262 6.452 1.00 0.00 O ATOM 857 CB GLN A 54 3.808 5.452 6.679 1.00 0.00 C ATOM 858 CG GLN A 54 2.256 5.553 6.434 1.00 0.00 C ATOM 859 CD GLN A 54 1.452 5.036 7.601 1.00 0.00 C ATOM 860 OE1 GLN A 54 1.367 5.744 8.605 1.00 0.00 O ATOM 861 NE2 GLN A 54 0.807 3.905 7.462 1.00 0.00 N ATOM 0 H GLN A 54 6.669 6.370 6.516 1.00 0.00 H new ATOM 0 HA GLN A 54 4.539 5.486 4.679 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.039 4.401 6.851 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.023 5.982 7.607 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.988 6.592 6.245 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.995 4.988 5.539 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.915 3.358 6.608 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.197 3.571 8.208 1.00 0.00 H new ATOM 870 N ARG A 55 4.570 7.975 4.208 1.00 0.00 N ATOM 871 CA ARG A 55 4.654 9.414 3.834 1.00 0.00 C ATOM 872 C ARG A 55 3.401 9.917 3.024 1.00 0.00 C ATOM 873 O ARG A 55 3.140 9.441 1.918 1.00 0.00 O ATOM 874 CB ARG A 55 5.994 9.648 3.111 1.00 0.00 C ATOM 875 CG ARG A 55 6.485 11.123 3.073 1.00 0.00 C ATOM 876 CD ARG A 55 7.833 11.308 2.320 1.00 0.00 C ATOM 877 NE ARG A 55 8.005 12.784 2.031 1.00 0.00 N ATOM 878 CZ ARG A 55 9.021 13.326 1.369 1.00 0.00 C ATOM 879 NH1 ARG A 55 10.066 12.649 1.016 1.00 0.00 N ATOM 880 NH2 ARG A 55 8.983 14.607 1.045 1.00 0.00 N ATOM 0 H ARG A 55 4.402 7.359 3.413 1.00 0.00 H new ATOM 0 HA ARG A 55 4.632 10.024 4.737 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.759 9.041 3.595 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.902 9.287 2.087 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.723 11.739 2.595 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.595 11.488 4.094 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.662 10.938 2.924 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.834 10.735 1.393 1.00 0.00 H new ATOM 0 HE ARG A 55 7.280 13.415 2.373 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.133 11.657 1.245 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.823 13.107 0.508 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.176 15.175 1.303 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.761 15.028 0.537 1.00 0.00 H new ATOM 894 N ARG A 56 2.659 10.881 3.569 1.00 0.00 N ATOM 895 CA ARG A 56 1.448 11.432 2.948 1.00 0.00 C ATOM 896 C ARG A 56 1.730 12.767 2.141 1.00 0.00 C ATOM 897 O ARG A 56 2.574 13.579 2.520 1.00 0.00 O ATOM 898 CB ARG A 56 0.455 11.819 4.092 1.00 0.00 C ATOM 899 CG ARG A 56 -0.997 12.105 3.614 1.00 0.00 C ATOM 900 CD ARG A 56 -1.852 13.088 4.478 1.00 0.00 C ATOM 901 NE ARG A 56 -3.188 13.467 3.910 1.00 0.00 N ATOM 902 CZ ARG A 56 -3.420 14.355 2.953 1.00 0.00 C ATOM 903 NH1 ARG A 56 -2.519 15.143 2.424 1.00 0.00 N ATOM 904 NH2 ARG A 56 -4.598 14.441 2.439 1.00 0.00 N ATOM 0 H ARG A 56 2.883 11.309 4.467 1.00 0.00 H new ATOM 0 HA ARG A 56 1.059 10.676 2.265 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.431 11.012 4.824 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.836 12.702 4.604 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.947 12.502 2.600 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.528 11.155 3.558 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.010 12.637 5.458 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.274 13.999 4.636 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.002 12.992 4.300 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.552 15.101 2.746 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.784 15.799 1.690 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.344 13.829 2.769 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.785 15.121 1.702 1.00 0.00 H new ATOM 918 N ARG A 57 1.050 13.000 0.996 1.00 0.00 N ATOM 919 CA ARG A 57 1.148 14.269 0.211 1.00 0.00 C ATOM 920 C ARG A 57 -0.201 14.618 -0.486 1.00 0.00 C ATOM 921 O ARG A 57 -0.830 15.645 -0.094 1.00 0.00 O ATOM 922 CB ARG A 57 2.456 14.176 -0.640 1.00 0.00 C ATOM 923 CG ARG A 57 3.034 15.364 -1.455 1.00 0.00 C ATOM 924 CD ARG A 57 2.240 15.954 -2.652 1.00 0.00 C ATOM 925 NE ARG A 57 3.173 16.725 -3.477 1.00 0.00 N ATOM 926 CZ ARG A 57 2.946 17.791 -4.241 1.00 0.00 C ATOM 927 NH1 ARG A 57 1.840 18.460 -4.242 1.00 0.00 N ATOM 928 NH2 ARG A 57 3.913 18.120 -5.020 1.00 0.00 N ATOM 0 H ARG A 57 0.415 12.318 0.583 1.00 0.00 H new ATOM 0 HA ARG A 57 1.272 15.164 0.821 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.245 13.860 0.043 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.303 13.363 -1.349 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.213 16.179 -0.754 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.006 15.051 -1.836 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.784 15.156 -3.237 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.430 16.591 -2.296 1.00 0.00 H new ATOM 0 HE ARG A 57 4.139 16.397 -3.464 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.074 18.179 -3.630 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.734 19.269 -4.854 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.775 17.575 -5.021 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.818 18.926 -5.638 1.00 0.00 H new ATOM 942 N PRO A 58 -0.732 13.856 -1.536 1.00 0.00 N ATOM 943 CA PRO A 58 -1.956 14.288 -2.274 1.00 0.00 C ATOM 944 C PRO A 58 -3.332 14.188 -1.485 1.00 0.00 C ATOM 945 O PRO A 58 -3.359 13.784 -0.305 1.00 0.00 O ATOM 946 CB PRO A 58 -1.887 13.370 -3.485 1.00 0.00 C ATOM 947 CG PRO A 58 -1.125 12.120 -3.082 1.00 0.00 C ATOM 948 CD PRO A 58 -0.091 12.653 -2.093 1.00 0.00 C ATOM 0 HA PRO A 58 -1.955 15.356 -2.491 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.890 13.112 -3.826 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.387 13.870 -4.315 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.779 11.379 -2.622 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.654 11.640 -3.940 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.134 11.923 -1.316 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.850 12.893 -2.587 1.00 0.00 H new ATOM 956 N PRO A 59 -4.538 14.560 -2.033 1.00 0.00 N ATOM 957 CA PRO A 59 -5.872 14.417 -1.346 1.00 0.00 C ATOM 958 C PRO A 59 -6.388 13.095 -0.662 1.00 0.00 C ATOM 959 O PRO A 59 -6.633 13.181 0.552 1.00 0.00 O ATOM 960 CB PRO A 59 -6.873 14.997 -2.353 1.00 0.00 C ATOM 961 CG PRO A 59 -5.995 15.980 -3.156 1.00 0.00 C ATOM 962 CD PRO A 59 -4.643 15.275 -3.306 1.00 0.00 C ATOM 0 HA PRO A 59 -5.738 14.931 -0.394 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.305 14.224 -2.989 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.702 15.503 -1.858 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.436 16.198 -4.129 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.888 16.931 -2.634 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.628 14.597 -4.159 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.826 15.983 -3.447 1.00 0.00 H new ATOM 970 N GLN A 60 -6.546 11.863 -1.114 1.00 0.00 N ATOM 971 CA GLN A 60 -6.398 11.444 -2.546 1.00 0.00 C ATOM 972 C GLN A 60 -7.250 10.209 -2.909 1.00 0.00 C ATOM 973 O GLN A 60 -7.294 9.206 -2.178 1.00 0.00 O ATOM 974 CB GLN A 60 -4.939 11.135 -2.913 1.00 0.00 C ATOM 975 CG GLN A 60 -4.573 10.837 -4.382 1.00 0.00 C ATOM 976 CD GLN A 60 -4.896 11.877 -5.466 1.00 0.00 C ATOM 977 OE1 GLN A 60 -5.956 12.508 -5.495 1.00 0.00 O ATOM 978 NE2 GLN A 60 -3.997 12.102 -6.437 1.00 0.00 N ATOM 0 H GLN A 60 -6.788 11.086 -0.499 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.754 12.301 -3.117 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.334 11.983 -2.591 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.627 10.277 -2.318 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.500 10.648 -4.420 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.071 9.908 -4.661 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.112 11.596 -6.440 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.199 12.780 -7.172 1.00 0.00 H new ATOM 987 N GLY A 61 -7.777 10.212 -4.130 1.00 0.00 N ATOM 988 CA GLY A 61 -8.350 8.975 -4.752 1.00 0.00 C ATOM 989 C GLY A 61 -7.420 7.803 -4.986 1.00 0.00 C ATOM 990 O GLY A 61 -7.377 6.870 -4.172 1.00 0.00 O ATOM 0 H GLY A 61 -7.829 11.041 -4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.169 8.631 -4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.784 9.254 -5.712 1.00 0.00 H new ATOM 994 N ASN A 62 -6.598 7.882 -6.044 1.00 0.00 N ATOM 995 CA ASN A 62 -5.653 6.740 -6.370 1.00 0.00 C ATOM 996 C ASN A 62 -4.731 6.262 -5.172 1.00 0.00 C ATOM 997 O ASN A 62 -4.690 5.084 -4.819 1.00 0.00 O ATOM 998 CB ASN A 62 -4.807 6.933 -7.675 1.00 0.00 C ATOM 999 CG ASN A 62 -5.364 7.699 -8.903 1.00 0.00 C ATOM 1000 OD1 ASN A 62 -5.015 8.836 -9.227 1.00 0.00 O ATOM 1001 ND2 ASN A 62 -6.313 7.119 -9.575 1.00 0.00 N ATOM 0 H ASN A 62 -6.548 8.678 -6.680 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.356 5.930 -6.564 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.885 7.435 -7.382 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.532 5.937 -8.023 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.755 7.604 -10.355 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.616 6.178 -9.322 1.00 0.00 H new ATOM 1008 N GLN A 63 -4.098 7.191 -4.448 1.00 0.00 N ATOM 1009 CA GLN A 63 -3.318 6.823 -3.200 1.00 0.00 C ATOM 1010 C GLN A 63 -4.130 6.469 -1.895 1.00 0.00 C ATOM 1011 O GLN A 63 -3.542 6.134 -0.854 1.00 0.00 O ATOM 1012 CB GLN A 63 -2.261 7.967 -2.970 1.00 0.00 C ATOM 1013 CG GLN A 63 -1.020 7.616 -2.123 1.00 0.00 C ATOM 1014 CD GLN A 63 -0.099 8.783 -1.685 1.00 0.00 C ATOM 1015 OE1 GLN A 63 -0.293 9.424 -0.672 1.00 0.00 O ATOM 1016 NE2 GLN A 63 0.977 9.043 -2.400 1.00 0.00 N ATOM 0 H GLN A 63 -4.092 8.186 -4.673 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.854 5.856 -3.396 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.918 8.312 -3.945 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.769 8.806 -2.495 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.361 7.101 -1.225 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.417 6.906 -2.688 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.161 8.517 -3.255 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.626 9.770 -2.099 1.00 0.00 H new ATOM 1025 N ALA A 64 -5.475 6.454 -1.868 1.00 0.00 N ATOM 1026 CA ALA A 64 -6.264 5.584 -0.936 1.00 0.00 C ATOM 1027 C ALA A 64 -6.634 4.129 -1.446 1.00 0.00 C ATOM 1028 O ALA A 64 -6.719 3.155 -0.641 1.00 0.00 O ATOM 1029 CB ALA A 64 -7.533 6.411 -0.631 1.00 0.00 C ATOM 0 H ALA A 64 -6.053 7.032 -2.478 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.648 5.353 -0.067 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.177 5.852 0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.249 7.356 -0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.070 6.609 -1.559 1.00 0.00 H new ATOM 1035 N HIS A 65 -6.983 4.023 -2.738 1.00 0.00 N ATOM 1036 CA HIS A 65 -7.390 2.706 -3.392 1.00 0.00 C ATOM 1037 C HIS A 65 -6.258 1.776 -3.916 1.00 0.00 C ATOM 1038 O HIS A 65 -6.346 0.521 -3.702 1.00 0.00 O ATOM 1039 CB HIS A 65 -8.369 3.076 -4.582 1.00 0.00 C ATOM 1040 CG HIS A 65 -9.765 3.445 -4.174 1.00 0.00 C ATOM 1041 ND1 HIS A 65 -10.937 2.954 -4.744 1.00 0.00 N ATOM 1042 CD2 HIS A 65 -10.006 4.581 -3.413 1.00 0.00 C ATOM 1043 CE1 HIS A 65 -11.819 3.853 -4.265 1.00 0.00 C ATOM 1044 NE2 HIS A 65 -11.348 4.853 -3.471 1.00 0.00 N ATOM 0 H HIS A 65 -7.001 4.818 -3.376 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.842 2.107 -2.601 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -7.939 3.909 -5.139 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -8.420 2.228 -5.265 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -11.085 2.147 -5.350 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -9.266 5.150 -2.871 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.870 3.782 -4.504 1.00 0.00 H new ATOM 1053 N GLN A 66 -5.188 2.270 -4.502 1.00 0.00 N ATOM 1054 CA GLN A 66 -4.397 1.548 -5.530 1.00 0.00 C ATOM 1055 C GLN A 66 -3.063 0.885 -5.006 1.00 0.00 C ATOM 1056 O GLN A 66 -2.439 1.411 -4.095 1.00 0.00 O ATOM 1057 CB GLN A 66 -4.196 2.630 -6.648 1.00 0.00 C ATOM 1058 CG GLN A 66 -3.386 2.259 -7.915 1.00 0.00 C ATOM 1059 CD GLN A 66 -2.480 3.385 -8.471 1.00 0.00 C ATOM 1060 OE1 GLN A 66 -2.736 4.011 -9.495 1.00 0.00 O ATOM 1061 NE2 GLN A 66 -1.325 3.565 -7.932 1.00 0.00 N ATOM 0 H GLN A 66 -4.821 3.197 -4.288 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.913 0.661 -5.896 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.184 2.955 -6.973 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.712 3.492 -6.189 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.764 1.393 -7.689 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.083 1.956 -8.696 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.076 3.062 -7.080 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.659 4.210 -8.357 1.00 0.00 H new ATOM 1070 N ASP A 67 -2.576 -0.187 -5.614 1.00 0.00 N ATOM 1071 CA ASP A 67 -1.137 -0.619 -5.581 1.00 0.00 C ATOM 1072 C ASP A 67 -0.265 0.066 -6.690 1.00 0.00 C ATOM 1073 O ASP A 67 0.646 0.792 -6.277 1.00 0.00 O ATOM 1074 CB ASP A 67 -1.057 -2.182 -5.593 1.00 0.00 C ATOM 1075 CG ASP A 67 -0.600 -2.915 -4.350 1.00 0.00 C ATOM 1076 OD1 ASP A 67 -0.725 -2.427 -3.219 1.00 0.00 O ATOM 1077 OD2 ASP A 67 -0.074 -4.027 -4.510 1.00 0.00 O ATOM 0 H ASP A 67 -3.164 -0.813 -6.164 1.00 0.00 H new ATOM 0 HA ASP A 67 -0.693 -0.272 -4.648 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.048 -2.558 -5.848 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.389 -2.469 -6.405 1.00 0.00 H new ATOM 1082 N PRO A 68 -0.401 -0.213 -8.031 1.00 0.00 N ATOM 1083 CA PRO A 68 0.741 0.073 -8.965 1.00 0.00 C ATOM 1084 C PRO A 68 0.744 1.424 -9.749 1.00 0.00 C ATOM 1085 O PRO A 68 1.307 2.352 -9.207 1.00 0.00 O ATOM 1086 CB PRO A 68 0.750 -1.217 -9.770 1.00 0.00 C ATOM 1087 CG PRO A 68 -0.750 -1.558 -9.933 1.00 0.00 C ATOM 1088 CD PRO A 68 -1.453 -1.047 -8.669 1.00 0.00 C ATOM 0 HA PRO A 68 1.679 0.290 -8.454 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.237 -1.083 -10.736 1.00 0.00 H new ATOM 0 HB3 PRO A 68 1.287 -2.010 -9.249 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.161 -1.084 -10.824 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.893 -2.632 -10.049 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.343 -0.465 -8.907 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.770 -1.865 -8.022 1.00 0.00 H new ATOM 1096 N LEU A 69 0.194 1.528 -10.983 1.00 0.00 N ATOM 1097 CA LEU A 69 -0.012 2.791 -11.816 1.00 0.00 C ATOM 1098 C LEU A 69 -0.972 2.505 -13.066 1.00 0.00 C ATOM 1099 O LEU A 69 -1.878 3.302 -13.204 1.00 0.00 O ATOM 1100 CB LEU A 69 1.285 3.454 -12.334 1.00 0.00 C ATOM 1101 CG LEU A 69 2.113 4.301 -11.339 1.00 0.00 C ATOM 1102 CD1 LEU A 69 3.317 4.915 -12.106 1.00 0.00 C ATOM 1103 CD2 LEU A 69 1.355 5.431 -10.545 1.00 0.00 C ATOM 0 H LEU A 69 -0.145 0.700 -11.473 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.469 3.495 -11.121 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.931 2.666 -12.721 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.020 4.092 -13.177 1.00 0.00 H new ATOM 0 HG LEU A 69 2.412 3.603 -10.557 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.915 5.517 -11.422 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.932 4.115 -12.518 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.949 5.544 -12.917 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.055 5.944 -9.885 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.928 6.146 -11.248 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.557 4.986 -9.951 1.00 0.00 H new ATOM 1115 N PRO A 70 -0.863 1.493 -13.986 1.00 0.00 N ATOM 1116 CA PRO A 70 -1.670 1.432 -15.226 1.00 0.00 C ATOM 1117 C PRO A 70 -3.033 0.653 -15.115 1.00 0.00 C ATOM 1118 O PRO A 70 -3.232 -0.251 -14.300 1.00 0.00 O ATOM 1119 CB PRO A 70 -0.652 0.779 -16.147 1.00 0.00 C ATOM 1120 CG PRO A 70 0.086 -0.233 -15.277 1.00 0.00 C ATOM 1121 CD PRO A 70 0.064 0.358 -13.873 1.00 0.00 C ATOM 0 HA PRO A 70 -2.051 2.398 -15.556 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -1.141 0.291 -16.990 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.035 1.517 -16.561 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.404 -1.206 -15.303 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.108 -0.382 -15.626 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.281 -0.369 -13.138 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.056 0.682 -13.559 1.00 0.00 H new ATOM 1129 N GLU A 71 -3.944 0.895 -16.054 1.00 0.00 N ATOM 1130 CA GLU A 71 -5.272 0.258 -16.068 1.00 0.00 C ATOM 1131 C GLU A 71 -5.278 -1.202 -16.665 1.00 0.00 C ATOM 1132 O GLU A 71 -6.095 -1.502 -17.537 1.00 0.00 O ATOM 1133 CB GLU A 71 -6.318 1.214 -16.736 1.00 0.00 C ATOM 1134 CG GLU A 71 -5.985 1.896 -18.088 1.00 0.00 C ATOM 1135 CD GLU A 71 -5.181 3.179 -18.114 1.00 0.00 C ATOM 1136 OE1 GLU A 71 -3.991 3.209 -17.777 1.00 0.00 O ATOM 1137 OE2 GLU A 71 -5.755 4.242 -18.319 1.00 0.00 O ATOM 0 H GLU A 71 -3.789 1.538 -16.831 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.572 0.105 -15.031 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.236 0.644 -16.877 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.540 2.004 -16.019 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.450 1.166 -18.695 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.931 2.097 -18.591 1.00 0.00 H new ATOM 1144 N GLN A 72 -4.397 -2.106 -16.172 1.00 0.00 N ATOM 1145 CA GLN A 72 -4.197 -3.449 -16.820 1.00 0.00 C ATOM 1146 C GLN A 72 -4.289 -4.561 -15.722 1.00 0.00 C ATOM 1147 O GLN A 72 -3.219 -4.915 -15.245 1.00 0.00 O ATOM 1148 CB GLN A 72 -2.939 -3.477 -17.757 1.00 0.00 C ATOM 1149 CG GLN A 72 -2.738 -2.280 -18.740 1.00 0.00 C ATOM 1150 CD GLN A 72 -1.472 -2.341 -19.597 1.00 0.00 C ATOM 1151 OE1 GLN A 72 -0.493 -3.045 -19.313 1.00 0.00 O ATOM 1152 NE2 GLN A 72 -1.342 -1.525 -20.656 1.00 0.00 N ATOM 0 H GLN A 72 -3.820 -1.946 -15.347 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.000 -3.666 -17.524 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.053 -3.545 -17.126 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.981 -4.392 -18.347 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.602 -2.226 -19.402 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.721 -1.356 -18.162 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.117 -0.923 -20.934 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.468 -1.507 -21.182 1.00 0.00 H new ATOM 1161 N PRO A 73 -5.475 -5.033 -15.224 1.00 0.00 N ATOM 1162 CA PRO A 73 -5.560 -5.719 -13.909 1.00 0.00 C ATOM 1163 C PRO A 73 -5.115 -7.181 -13.799 1.00 0.00 C ATOM 1164 O PRO A 73 -5.889 -8.099 -13.522 1.00 0.00 O ATOM 1165 CB PRO A 73 -7.064 -5.481 -13.608 1.00 0.00 C ATOM 1166 CG PRO A 73 -7.742 -5.457 -14.973 1.00 0.00 C ATOM 1167 CD PRO A 73 -6.769 -4.716 -15.848 1.00 0.00 C ATOM 0 HA PRO A 73 -4.840 -5.326 -13.191 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.471 -6.273 -12.980 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.216 -4.542 -13.076 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.926 -6.465 -15.345 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.707 -4.951 -14.931 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.814 -5.055 -16.883 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.964 -3.644 -15.855 1.00 0.00 H new ATOM 1175 N SER A 74 -3.778 -7.397 -13.762 1.00 0.00 N ATOM 1176 CA SER A 74 -3.125 -8.728 -13.457 1.00 0.00 C ATOM 1177 C SER A 74 -2.045 -8.579 -12.337 1.00 0.00 C ATOM 1178 O SER A 74 -2.308 -7.893 -11.344 1.00 0.00 O ATOM 1179 CB SER A 74 -2.672 -9.167 -14.913 1.00 0.00 C ATOM 1180 OG SER A 74 -2.170 -10.507 -14.812 1.00 0.00 O ATOM 0 H SER A 74 -3.101 -6.656 -13.942 1.00 0.00 H new ATOM 0 HA SER A 74 -3.736 -9.510 -13.006 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.511 -9.121 -15.608 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.904 -8.496 -15.296 1.00 0.00 H new ATOM 0 HG SER A 74 -1.881 -10.815 -15.696 1.00 0.00 H new ATOM 1186 N SER A 75 -0.886 -9.222 -12.441 1.00 0.00 N ATOM 1187 CA SER A 75 0.137 -9.203 -11.348 1.00 0.00 C ATOM 1188 C SER A 75 1.510 -8.489 -11.684 1.00 0.00 C ATOM 1189 O SER A 75 1.988 -8.405 -12.823 1.00 0.00 O ATOM 1190 CB SER A 75 0.276 -10.637 -10.719 1.00 0.00 C ATOM 1191 OG SER A 75 0.714 -11.559 -11.690 1.00 0.00 O ATOM 0 H SER A 75 -0.613 -9.766 -13.259 1.00 0.00 H new ATOM 0 HA SER A 75 -0.248 -8.532 -10.580 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.982 -10.610 -9.889 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.683 -10.957 -10.311 1.00 0.00 H new ATOM 0 HG SER A 75 0.798 -12.447 -11.284 1.00 0.00 H new ATOM 1197 N GLN A 76 2.181 -8.044 -10.598 1.00 0.00 N ATOM 1198 CA GLN A 76 3.503 -7.368 -10.649 1.00 0.00 C ATOM 1199 C GLN A 76 3.539 -6.026 -11.451 1.00 0.00 C ATOM 1200 O GLN A 76 3.896 -5.997 -12.643 1.00 0.00 O ATOM 1201 CB GLN A 76 4.688 -8.417 -10.869 1.00 0.00 C ATOM 1202 CG GLN A 76 6.106 -7.779 -10.935 1.00 0.00 C ATOM 1203 CD GLN A 76 7.231 -8.720 -10.525 1.00 0.00 C ATOM 1204 OE1 GLN A 76 7.600 -8.831 -9.373 1.00 0.00 O ATOM 1205 NE2 GLN A 76 7.761 -9.480 -11.460 1.00 0.00 N ATOM 0 H GLN A 76 1.818 -8.144 -9.650 1.00 0.00 H new ATOM 0 HA GLN A 76 3.704 -6.961 -9.658 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.668 -9.145 -10.058 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.506 -8.964 -11.794 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.290 -7.432 -11.952 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.128 -6.901 -10.290 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.452 -9.388 -12.428 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.480 -10.161 -11.217 1.00 0.00 H new ATOM 1214 N HIS A 77 3.156 -4.891 -10.813 1.00 0.00 N ATOM 1215 CA HIS A 77 2.943 -3.605 -11.490 1.00 0.00 C ATOM 1216 C HIS A 77 1.859 -3.576 -12.620 1.00 0.00 C ATOM 1217 O HIS A 77 2.136 -3.185 -13.733 1.00 0.00 O ATOM 1218 CB HIS A 77 4.206 -2.851 -11.940 1.00 0.00 C ATOM 1219 CG HIS A 77 3.907 -1.444 -12.369 1.00 0.00 C ATOM 1220 ND1 HIS A 77 3.778 -0.344 -11.523 1.00 0.00 N ATOM 1221 CD2 HIS A 77 3.633 -1.106 -13.687 1.00 0.00 C ATOM 1222 CE1 HIS A 77 3.433 0.597 -12.422 1.00 0.00 C ATOM 1223 NE2 HIS A 77 3.321 0.228 -13.726 1.00 0.00 N ATOM 0 H HIS A 77 2.988 -4.852 -9.808 1.00 0.00 H new ATOM 0 HA HIS A 77 2.527 -3.048 -10.650 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.927 -2.834 -11.123 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.673 -3.389 -12.765 1.00 0.00 H new ATOM 0 HD1 HIS A 77 3.908 -0.272 -10.514 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.661 -1.776 -14.533 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.250 1.617 -12.116 1.00 0.00 H new ATOM 1232 N ARG A 78 0.681 -4.051 -12.313 1.00 0.00 N ATOM 1233 CA ARG A 78 -0.508 -4.295 -13.211 1.00 0.00 C ATOM 1234 C ARG A 78 -1.824 -4.016 -12.388 1.00 0.00 C ATOM 1235 O ARG A 78 -2.439 -2.984 -12.632 1.00 0.00 O ATOM 1236 CB ARG A 78 -0.392 -5.729 -13.798 1.00 0.00 C ATOM 1237 CG ARG A 78 0.789 -6.076 -14.732 1.00 0.00 C ATOM 1238 CD ARG A 78 0.655 -5.416 -16.131 1.00 0.00 C ATOM 1239 NE ARG A 78 1.625 -6.154 -17.056 1.00 0.00 N ATOM 1240 CZ ARG A 78 1.399 -6.397 -18.320 1.00 0.00 C ATOM 1241 NH1 ARG A 78 0.408 -5.849 -19.008 1.00 0.00 N ATOM 1242 NH2 ARG A 78 2.173 -7.221 -18.938 1.00 0.00 N ATOM 0 H ARG A 78 0.470 -4.313 -11.350 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.540 -3.619 -14.066 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.360 -6.424 -12.959 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.312 -5.933 -14.345 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.721 -5.752 -14.269 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.850 -7.158 -14.849 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.368 -5.494 -16.500 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.897 -4.354 -16.083 1.00 0.00 H new ATOM 0 HE ARG A 78 2.507 -6.478 -16.659 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.230 -5.197 -18.552 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.283 -6.079 -19.994 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.943 -7.668 -18.441 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.016 -7.426 -19.925 1.00 0.00 H new ATOM 1256 N GLY A 79 -2.241 -4.891 -11.453 1.00 0.00 N ATOM 1257 CA GLY A 79 -3.356 -4.606 -10.512 1.00 0.00 C ATOM 1258 C GLY A 79 -3.183 -5.036 -9.057 1.00 0.00 C ATOM 1259 O GLY A 79 -4.056 -5.666 -8.468 1.00 0.00 O ATOM 0 H GLY A 79 -1.821 -5.812 -11.324 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.540 -3.532 -10.525 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.254 -5.087 -10.900 1.00 0.00 H new ATOM 1263 N ASP A 80 -2.039 -4.683 -8.423 1.00 0.00 N ATOM 1264 CA ASP A 80 -1.422 -5.414 -7.271 1.00 0.00 C ATOM 1265 C ASP A 80 -2.254 -6.079 -6.099 1.00 0.00 C ATOM 1266 O ASP A 80 -1.829 -7.078 -5.475 1.00 0.00 O ATOM 1267 CB ASP A 80 -0.300 -6.310 -7.894 1.00 0.00 C ATOM 1268 CG ASP A 80 0.852 -5.604 -8.592 1.00 0.00 C ATOM 1269 OD1 ASP A 80 0.632 -5.009 -9.650 1.00 0.00 O ATOM 1270 OD2 ASP A 80 2.009 -5.706 -8.170 1.00 0.00 O ATOM 0 H ASP A 80 -1.500 -3.862 -8.700 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.077 -4.625 -6.602 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.116 -6.930 -7.100 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.767 -6.984 -8.612 1.00 0.00 H new ATOM 1275 N HIS A 81 -3.360 -5.443 -5.685 1.00 0.00 N ATOM 1276 CA HIS A 81 -4.085 -5.786 -4.444 1.00 0.00 C ATOM 1277 C HIS A 81 -5.638 -5.502 -4.373 1.00 0.00 C ATOM 1278 O HIS A 81 -6.242 -6.239 -3.594 1.00 0.00 O ATOM 1279 CB HIS A 81 -3.389 -5.271 -3.173 1.00 0.00 C ATOM 1280 CG HIS A 81 -3.832 -3.887 -2.801 1.00 0.00 C ATOM 1281 ND1 HIS A 81 -4.144 -2.864 -3.693 1.00 0.00 N ATOM 1282 CD2 HIS A 81 -3.583 -3.392 -1.528 1.00 0.00 C ATOM 1283 CE1 HIS A 81 -4.063 -1.805 -2.866 1.00 0.00 C ATOM 1284 NE2 HIS A 81 -3.732 -2.030 -1.566 1.00 0.00 N ATOM 0 H HIS A 81 -3.782 -4.671 -6.202 1.00 0.00 H new ATOM 0 HA HIS A 81 -4.028 -6.874 -4.490 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -3.597 -5.951 -2.347 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -2.310 -5.276 -3.325 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -3.318 -3.978 -0.660 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -4.255 -0.805 -3.225 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -3.622 -1.355 -0.809 1.00 0.00 H new ATOM 1293 N PRO A 82 -6.325 -4.486 -4.966 1.00 0.00 N ATOM 1294 CA PRO A 82 -7.806 -4.331 -4.840 1.00 0.00 C ATOM 1295 C PRO A 82 -8.581 -5.160 -5.964 1.00 0.00 C ATOM 1296 O PRO A 82 -7.984 -5.812 -6.811 1.00 0.00 O ATOM 1297 CB PRO A 82 -7.994 -2.813 -5.039 1.00 0.00 C ATOM 1298 CG PRO A 82 -6.626 -2.252 -5.364 1.00 0.00 C ATOM 1299 CD PRO A 82 -5.775 -3.441 -5.838 1.00 0.00 C ATOM 0 HA PRO A 82 -8.202 -4.703 -3.895 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.698 -2.611 -5.846 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.400 -2.351 -4.139 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.693 -1.488 -6.139 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.181 -1.780 -4.488 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -5.913 -3.661 -6.897 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.708 -3.282 -5.682 1.00 0.00 H new ATOM 1307 N THR A 83 -9.883 -4.931 -6.067 1.00 0.00 N ATOM 1308 CA THR A 83 -10.535 -4.801 -7.416 1.00 0.00 C ATOM 1309 C THR A 83 -10.382 -3.274 -7.930 1.00 0.00 C ATOM 1310 O THR A 83 -11.202 -2.431 -7.588 1.00 0.00 O ATOM 1311 CB THR A 83 -11.991 -5.377 -7.344 1.00 0.00 C ATOM 1312 OG1 THR A 83 -12.081 -6.740 -7.054 1.00 0.00 O ATOM 1313 CG2 THR A 83 -12.796 -5.303 -8.662 1.00 0.00 C ATOM 0 H THR A 83 -10.516 -4.830 -5.273 1.00 0.00 H new ATOM 0 HA THR A 83 -10.044 -5.401 -8.182 1.00 0.00 H new ATOM 0 HB THR A 83 -12.384 -4.736 -6.555 1.00 0.00 H new ATOM 0 HG1 THR A 83 -12.126 -6.866 -6.083 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.788 -5.726 -8.507 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.890 -4.263 -8.973 1.00 0.00 H new ATOM 0 HG23 THR A 83 -12.278 -5.868 -9.437 1.00 0.00 H new ATOM 1321 N GLY A 84 -9.258 -2.965 -8.603 1.00 0.00 N ATOM 1322 CA GLY A 84 -8.688 -1.567 -8.671 1.00 0.00 C ATOM 1323 C GLY A 84 -7.241 -1.628 -9.265 1.00 0.00 C ATOM 1324 O GLY A 84 -6.302 -1.870 -8.509 1.00 0.00 O ATOM 0 H GLY A 84 -8.710 -3.655 -9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.322 -0.933 -9.291 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.667 -1.121 -7.676 1.00 0.00 H new ATOM 1328 N PRO A 85 -6.970 -1.479 -10.605 1.00 0.00 N ATOM 1329 CA PRO A 85 -5.566 -1.277 -11.075 1.00 0.00 C ATOM 1330 C PRO A 85 -5.001 0.207 -11.016 1.00 0.00 C ATOM 1331 O PRO A 85 -3.776 0.403 -10.861 1.00 0.00 O ATOM 1332 CB PRO A 85 -5.748 -1.782 -12.524 1.00 0.00 C ATOM 1333 CG PRO A 85 -7.160 -1.436 -12.959 1.00 0.00 C ATOM 1334 CD PRO A 85 -7.976 -1.572 -11.653 1.00 0.00 C ATOM 0 HA PRO A 85 -4.823 -1.777 -10.454 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -5.019 -1.315 -13.186 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.584 -2.858 -12.577 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -7.220 -0.427 -13.368 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.521 -2.115 -13.732 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -8.722 -0.782 -11.563 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.510 -2.521 -11.612 1.00 0.00 H new ATOM 1342 N LYS A 86 -5.863 1.198 -11.167 1.00 0.00 N ATOM 1343 CA LYS A 86 -5.560 2.646 -11.251 1.00 0.00 C ATOM 1344 C LYS A 86 -6.765 3.414 -10.592 1.00 0.00 C ATOM 1345 O LYS A 86 -7.810 3.533 -11.245 1.00 0.00 O ATOM 1346 CB LYS A 86 -5.295 2.963 -12.715 1.00 0.00 C ATOM 1347 CG LYS A 86 -4.887 4.396 -13.126 1.00 0.00 C ATOM 1348 CD LYS A 86 -4.863 4.584 -14.637 1.00 0.00 C ATOM 1349 CE LYS A 86 -4.096 5.843 -15.135 1.00 0.00 C ATOM 1350 NZ LYS A 86 -4.052 5.715 -16.631 1.00 0.00 N ATOM 0 H LYS A 86 -6.864 1.017 -11.241 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.670 2.960 -10.706 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.509 2.290 -13.057 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.197 2.709 -13.272 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.583 5.109 -12.685 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.901 4.620 -12.719 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.413 3.701 -15.090 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.890 4.638 -14.997 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.605 6.758 -14.833 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.091 5.884 -14.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.477 6.485 -17.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.631 4.800 -16.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.018 5.772 -17.013 1.00 0.00 H new ATOM 1364 N GLU A 87 -6.699 3.706 -9.268 1.00 0.00 N ATOM 1365 CA GLU A 87 -7.933 3.696 -8.376 1.00 0.00 C ATOM 1366 C GLU A 87 -8.201 2.227 -7.904 1.00 0.00 C ATOM 1367 O GLU A 87 -9.327 1.671 -7.969 1.00 0.00 O ATOM 1368 CB GLU A 87 -9.144 4.529 -8.890 1.00 0.00 C ATOM 1369 CG GLU A 87 -10.002 5.153 -7.768 1.00 0.00 C ATOM 1370 CD GLU A 87 -9.777 6.443 -6.965 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -9.188 7.462 -7.396 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -10.288 6.472 -5.809 1.00 0.00 O ATOM 1373 OXT GLU A 87 -7.212 1.566 -7.473 1.00 0.00 O ATOM 0 H GLU A 87 -5.835 3.949 -8.784 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.730 4.277 -7.476 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.775 5.326 -9.536 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.778 3.888 -9.504 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.991 5.273 -8.211 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.083 4.370 -7.015 1.00 0.00 H new