USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=26 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 -148:sc= 0.297 USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0.281 USER MOD Set 2.1: A 13 HIS : no HE2:sc= -0.346 K(o=-3.4,f=-4.4) USER MOD Set 2.2: A 81 HIS : no HD1:sc= -3.05 K(o=-3.4,f=-9.6!) USER MOD Set 3.1: A 12 ASN : amide:sc= 1.5 K(o=2.6,f=-2.3) USER MOD Set 3.2: A 46 SER OG : rot -175:sc= 1.09 USER MOD Set 4.1: A 23 ASN : amide:sc= 0 K(o=1.5,f=0.89) USER MOD Set 4.2: A 28 LYS NZ :NH3+ -160:sc= 1.52 (180deg=0.608) USER MOD Set 5.1: A 27 CYS SG : rot 120:sc= 0.194 USER MOD Set 5.2: A 37 CYS SG : rot 180:sc=-0.00337 USER MOD Set 6.1: A 22 CYS SG : rot 180:sc= -2.41 USER MOD Set 6.2: A 54 GLN : amide:sc= -1.1 K(o=-3.5,f=-4) USER MOD Single : A 1 MET CE :methyl -157:sc= -0.164 (180deg=-0.262) USER MOD Single : A 1 MET N :NH3+ 137:sc= -0.0175 (180deg=-0.247) USER MOD Single : A 7 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.21) USER MOD Single : A 16 SER OG : rot -61:sc= 1.36 USER MOD Single : A 17 GLN : amide:sc= 0.366 K(o=0.37,f=-2.5!) USER MOD Single : A 20 THR OG1 : rot -11:sc= 1.24 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot -51:sc= 0.0535 USER MOD Single : A 26 TYR OH : rot 10:sc= 0.235 USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0.284 (180deg=0.277) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 9:sc= 0.127 USER MOD Single : A 32 TYR OH : rot 102:sc= -0.932 USER MOD Single : A 33 HIS : no HE2:sc= -4.91! C(o=-4.9!,f=-7.3!) USER MOD Single : A 35 GLN : amide:sc=-0.000103 X(o=-0.0001,f=-0.0033) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 48:sc= 0.203 USER MOD Single : A 41 LYS NZ :NH3+ -179:sc= 1.67 (180deg=1.65) USER MOD Single : A 47 TYR OH : rot -106:sc= 0.913 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -173:sc= 0.943 (180deg=0.94) USER MOD Single : A 60 GLN : amide:sc= 0.0487 K(o=0.049,f=-3.8!) USER MOD Single : A 62 ASN : amide:sc= -0.988 K(o=-0.99,f=-0.13) USER MOD Single : A 63 GLN : amide:sc= -0.151 K(o=-0.15,f=-3.6!) USER MOD Single : A 65 HIS : no HD1:sc= -0.292 X(o=-0.29,f=-0.48) USER MOD Single : A 66 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.5) USER MOD Single : A 72 GLN : amide:sc= 0.38 K(o=0.38,f=-3.3!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0152 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 HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 86 LYS NZ :NH3+ 158:sc= 1.04 (180deg=0.405) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.757 4.385 -1.877 1.00 0.00 N ATOM 2 CA MET A 1 10.335 4.793 -1.923 1.00 0.00 C ATOM 3 C MET A 1 9.912 6.120 -1.116 1.00 0.00 C ATOM 4 O MET A 1 9.465 7.134 -1.682 1.00 0.00 O ATOM 5 CB MET A 1 9.392 3.594 -1.624 1.00 0.00 C ATOM 6 CG MET A 1 9.438 2.461 -2.656 1.00 0.00 C ATOM 7 SD MET A 1 8.558 1.067 -1.975 1.00 0.00 S ATOM 8 CE MET A 1 8.771 -0.115 -3.271 1.00 0.00 C ATOM 0 H1 MET A 1 11.819 3.356 -1.741 1.00 0.00 H new ATOM 0 H2 MET A 1 12.222 4.644 -2.771 1.00 0.00 H new ATOM 0 H3 MET A 1 12.231 4.868 -1.087 1.00 0.00 H new ATOM 0 HA MET A 1 10.205 5.111 -2.957 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.647 3.185 -0.646 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.369 3.964 -1.558 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.982 2.780 -3.593 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.470 2.189 -2.879 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.980 -0.863 -3.215 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.724 0.390 -4.236 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.740 -0.602 -3.163 1.00 0.00 H new ATOM 19 N ASP A 2 10.274 6.157 0.209 1.00 0.00 N ATOM 20 CA ASP A 2 10.162 7.385 1.067 1.00 0.00 C ATOM 21 C ASP A 2 10.880 8.749 0.603 1.00 0.00 C ATOM 22 O ASP A 2 10.246 9.769 0.877 1.00 0.00 O ATOM 23 CB ASP A 2 10.467 7.002 2.542 1.00 0.00 C ATOM 24 CG ASP A 2 9.648 7.818 3.577 1.00 0.00 C ATOM 25 OD1 ASP A 2 10.061 8.960 3.841 1.00 0.00 O ATOM 26 OD2 ASP A 2 8.785 7.311 4.299 1.00 0.00 O ATOM 0 H ASP A 2 10.646 5.347 0.705 1.00 0.00 H new ATOM 0 HA ASP A 2 9.126 7.698 0.937 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.261 5.941 2.683 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.530 7.149 2.735 1.00 0.00 H new ATOM 31 N PRO A 3 12.026 8.902 -0.107 1.00 0.00 N ATOM 32 CA PRO A 3 12.629 10.236 -0.404 1.00 0.00 C ATOM 33 C PRO A 3 11.948 11.214 -1.380 1.00 0.00 C ATOM 34 O PRO A 3 12.385 12.383 -1.377 1.00 0.00 O ATOM 35 CB PRO A 3 14.120 9.940 -0.763 1.00 0.00 C ATOM 36 CG PRO A 3 14.048 8.512 -1.250 1.00 0.00 C ATOM 37 CD PRO A 3 12.945 7.793 -0.450 1.00 0.00 C ATOM 0 HA PRO A 3 12.482 10.839 0.492 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.496 10.615 -1.532 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.776 10.044 0.101 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.826 8.484 -2.317 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.007 8.013 -1.111 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.450 7.024 -1.042 1.00 0.00 H new ATOM 0 HD3 PRO A 3 13.342 7.304 0.440 1.00 0.00 H new ATOM 45 N VAL A 4 10.878 10.887 -2.131 1.00 0.00 N ATOM 46 CA VAL A 4 10.335 11.795 -3.215 1.00 0.00 C ATOM 47 C VAL A 4 9.405 12.848 -2.546 1.00 0.00 C ATOM 48 O VAL A 4 9.908 13.826 -1.947 1.00 0.00 O ATOM 49 CB VAL A 4 9.752 10.886 -4.400 1.00 0.00 C ATOM 50 CG1 VAL A 4 9.130 11.692 -5.577 1.00 0.00 C ATOM 51 CG2 VAL A 4 10.799 9.957 -4.999 1.00 0.00 C ATOM 0 H VAL A 4 10.362 10.014 -2.025 1.00 0.00 H new ATOM 0 HA VAL A 4 11.085 12.404 -3.720 1.00 0.00 H new ATOM 0 HB VAL A 4 8.967 10.314 -3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.760 11.002 -6.335 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.305 12.300 -5.206 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.889 12.340 -6.016 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.348 9.366 -5.796 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.620 10.548 -5.405 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.180 9.291 -4.225 1.00 0.00 H new ATOM 61 N ASP A 5 8.036 12.666 -2.581 1.00 0.00 N ATOM 62 CA ASP A 5 7.055 13.682 -2.038 1.00 0.00 C ATOM 63 C ASP A 5 5.912 13.021 -1.162 1.00 0.00 C ATOM 64 O ASP A 5 5.793 13.430 0.014 1.00 0.00 O ATOM 65 CB ASP A 5 6.851 14.898 -2.984 1.00 0.00 C ATOM 66 CG ASP A 5 6.128 14.757 -4.303 1.00 0.00 C ATOM 67 OD1 ASP A 5 6.172 13.696 -4.978 1.00 0.00 O ATOM 68 OD2 ASP A 5 5.605 15.815 -4.740 1.00 0.00 O ATOM 0 H ASP A 5 7.592 11.836 -2.974 1.00 0.00 H new ATOM 0 HA ASP A 5 7.457 14.284 -1.223 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.321 15.660 -2.412 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.841 15.297 -3.206 1.00 0.00 H new ATOM 73 N PRO A 6 5.111 12.017 -1.591 1.00 0.00 N ATOM 74 CA PRO A 6 5.041 11.455 -2.974 1.00 0.00 C ATOM 75 C PRO A 6 3.674 11.817 -3.680 1.00 0.00 C ATOM 76 O PRO A 6 2.597 11.604 -3.123 1.00 0.00 O ATOM 77 CB PRO A 6 5.159 9.948 -2.660 1.00 0.00 C ATOM 78 CG PRO A 6 4.416 9.720 -1.346 1.00 0.00 C ATOM 79 CD PRO A 6 4.543 11.050 -0.620 1.00 0.00 C ATOM 0 HA PRO A 6 5.794 11.832 -3.666 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.724 9.350 -3.461 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.204 9.651 -2.572 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.372 9.456 -1.517 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.860 8.907 -0.772 1.00 0.00 H new ATOM 0 HD2 PRO A 6 3.571 11.389 -0.261 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.189 10.954 0.253 1.00 0.00 H new ATOM 87 N ASN A 7 3.730 12.273 -4.943 1.00 0.00 N ATOM 88 CA ASN A 7 2.488 12.424 -5.804 1.00 0.00 C ATOM 89 C ASN A 7 1.848 11.016 -6.117 1.00 0.00 C ATOM 90 O ASN A 7 1.026 10.556 -5.334 1.00 0.00 O ATOM 91 CB ASN A 7 2.860 13.242 -7.105 1.00 0.00 C ATOM 92 CG ASN A 7 3.136 14.713 -6.956 1.00 0.00 C ATOM 93 OD1 ASN A 7 2.249 15.470 -6.603 1.00 0.00 O ATOM 94 ND2 ASN A 7 4.323 15.179 -7.208 1.00 0.00 N ATOM 0 H ASN A 7 4.596 12.546 -5.408 1.00 0.00 H new ATOM 0 HA ASN A 7 1.723 12.985 -5.267 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.741 12.780 -7.550 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.044 13.125 -7.818 1.00 0.00 H new ATOM 0 HD21 ASN A 7 4.511 16.177 -7.110 1.00 0.00 H new ATOM 0 HD22 ASN A 7 5.067 14.547 -7.504 1.00 0.00 H new ATOM 101 N LEU A 8 2.275 10.331 -7.205 1.00 0.00 N ATOM 102 CA LEU A 8 1.844 8.957 -7.560 1.00 0.00 C ATOM 103 C LEU A 8 3.083 8.178 -8.090 1.00 0.00 C ATOM 104 O LEU A 8 3.642 8.475 -9.136 1.00 0.00 O ATOM 105 CB LEU A 8 0.664 9.094 -8.582 1.00 0.00 C ATOM 106 CG LEU A 8 -0.696 9.619 -8.013 1.00 0.00 C ATOM 107 CD1 LEU A 8 -1.765 9.715 -9.130 1.00 0.00 C ATOM 108 CD2 LEU A 8 -1.316 8.652 -6.964 1.00 0.00 C ATOM 0 H LEU A 8 2.940 10.724 -7.872 1.00 0.00 H new ATOM 0 HA LEU A 8 1.469 8.381 -6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.981 9.764 -9.381 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.490 8.118 -9.035 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.459 10.586 -7.570 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.700 10.082 -8.708 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.422 10.402 -9.904 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.926 8.729 -9.565 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.258 9.064 -6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.498 7.682 -7.426 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.627 8.532 -6.128 1.00 0.00 H new ATOM 120 N GLU A 9 3.536 7.213 -7.313 1.00 0.00 N ATOM 121 CA GLU A 9 4.884 6.598 -7.438 1.00 0.00 C ATOM 122 C GLU A 9 4.824 5.158 -8.013 1.00 0.00 C ATOM 123 O GLU A 9 3.897 4.444 -7.607 1.00 0.00 O ATOM 124 CB GLU A 9 5.488 6.658 -5.989 1.00 0.00 C ATOM 125 CG GLU A 9 7.049 6.585 -5.941 1.00 0.00 C ATOM 126 CD GLU A 9 7.594 6.402 -4.489 1.00 0.00 C ATOM 127 OE1 GLU A 9 7.331 7.247 -3.633 1.00 0.00 O ATOM 128 OE2 GLU A 9 8.265 5.380 -4.233 1.00 0.00 O ATOM 0 H GLU A 9 2.982 6.812 -6.556 1.00 0.00 H new ATOM 0 HA GLU A 9 5.513 7.132 -8.151 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.164 7.582 -5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.079 5.835 -5.403 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.390 5.756 -6.561 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.466 7.496 -6.370 1.00 0.00 H new ATOM 135 N PRO A 10 5.750 4.623 -8.860 1.00 0.00 N ATOM 136 CA PRO A 10 5.734 3.192 -9.326 1.00 0.00 C ATOM 137 C PRO A 10 5.419 1.991 -8.399 1.00 0.00 C ATOM 138 O PRO A 10 4.652 1.133 -8.808 1.00 0.00 O ATOM 139 CB PRO A 10 7.115 3.093 -9.988 1.00 0.00 C ATOM 140 CG PRO A 10 7.405 4.505 -10.579 1.00 0.00 C ATOM 141 CD PRO A 10 6.802 5.431 -9.513 1.00 0.00 C ATOM 0 HA PRO A 10 4.838 3.051 -9.930 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.877 2.809 -9.262 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.120 2.333 -10.770 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.473 4.679 -10.713 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.935 4.644 -11.552 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.557 5.752 -8.795 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.386 6.333 -9.962 1.00 0.00 H new ATOM 149 N TRP A 11 5.851 2.022 -7.154 1.00 0.00 N ATOM 150 CA TRP A 11 5.009 1.414 -6.067 1.00 0.00 C ATOM 151 C TRP A 11 5.192 2.208 -4.745 1.00 0.00 C ATOM 152 O TRP A 11 6.260 2.131 -4.088 1.00 0.00 O ATOM 153 CB TRP A 11 5.357 -0.082 -5.836 1.00 0.00 C ATOM 154 CG TRP A 11 4.374 -0.838 -4.936 1.00 0.00 C ATOM 155 CD1 TRP A 11 3.180 -1.457 -5.360 1.00 0.00 C ATOM 156 CD2 TRP A 11 4.296 -0.768 -3.561 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.350 -1.785 -4.270 1.00 0.00 N ATOM 158 CE2 TRP A 11 3.064 -1.346 -3.165 1.00 0.00 C ATOM 159 CE3 TRP A 11 5.182 -0.224 -2.595 1.00 0.00 C ATOM 160 CZ2 TRP A 11 2.714 -1.395 -1.798 1.00 0.00 C ATOM 161 CZ3 TRP A 11 4.816 -0.290 -1.250 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.601 -0.868 -0.856 1.00 0.00 C ATOM 0 H TRP A 11 6.733 2.434 -6.848 1.00 0.00 H new ATOM 0 HA TRP A 11 3.968 1.469 -6.387 1.00 0.00 H new ATOM 0 HB2 TRP A 11 5.402 -0.584 -6.803 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.353 -0.145 -5.397 1.00 0.00 H new ATOM 0 HD1 TRP A 11 2.933 -1.655 -6.392 1.00 0.00 H new ATOM 0 HE1 TRP A 11 1.437 -2.239 -4.289 1.00 0.00 H new ATOM 0 HE3 TRP A 11 6.116 0.230 -2.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 1.777 -1.832 -1.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 5.481 0.111 -0.499 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.347 -0.906 0.193 1.00 0.00 H new ATOM 173 N ASN A 12 4.156 2.942 -4.248 1.00 0.00 N ATOM 174 CA ASN A 12 4.159 3.484 -2.823 1.00 0.00 C ATOM 175 C ASN A 12 2.696 3.857 -2.327 1.00 0.00 C ATOM 176 O ASN A 12 2.133 4.938 -2.645 1.00 0.00 O ATOM 177 CB ASN A 12 5.183 4.652 -2.672 1.00 0.00 C ATOM 178 CG ASN A 12 5.585 5.064 -1.260 1.00 0.00 C ATOM 179 OD1 ASN A 12 5.386 4.340 -0.290 1.00 0.00 O ATOM 180 ND2 ASN A 12 6.151 6.226 -1.105 1.00 0.00 N ATOM 0 H ASN A 12 3.320 3.177 -4.783 1.00 0.00 H new ATOM 0 HA ASN A 12 4.496 2.689 -2.157 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.089 4.376 -3.211 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.769 5.528 -3.172 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.431 6.537 -0.175 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.315 6.825 -1.914 1.00 0.00 H new ATOM 187 N HIS A 13 2.034 2.926 -1.555 1.00 0.00 N ATOM 188 CA HIS A 13 0.701 3.152 -0.898 1.00 0.00 C ATOM 189 C HIS A 13 0.874 3.242 0.656 1.00 0.00 C ATOM 190 O HIS A 13 1.179 2.250 1.299 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 2.415 1.997 -1.373 1.00 0.00 H new ATOM 0 HA HIS A 13 0.244 4.096 -1.196 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -0.171 1.865 -2.434 1.00 0.00 H new ATOM 0 HB3 HIS A 13 0.181 1.030 -0.934 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 0.642 4.413 1.346 1.00 0.00 N ATOM 206 CA PRO A 14 0.624 4.487 2.835 1.00 0.00 C ATOM 207 C PRO A 14 -0.552 3.827 3.686 1.00 0.00 C ATOM 208 O PRO A 14 -0.223 3.178 4.690 1.00 0.00 O ATOM 209 CB PRO A 14 0.771 6.039 3.025 1.00 0.00 C ATOM 210 CG PRO A 14 1.408 6.632 1.764 1.00 0.00 C ATOM 211 CD PRO A 14 0.929 5.696 0.667 1.00 0.00 C ATOM 0 HA PRO A 14 1.397 3.845 3.256 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.204 6.492 3.204 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.388 6.256 3.897 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.081 7.657 1.591 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.496 6.651 1.832 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.039 6.089 0.176 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.690 5.572 -0.104 1.00 0.00 H new ATOM 219 N GLY A 15 -1.858 4.005 3.308 1.00 0.00 N ATOM 220 CA GLY A 15 -3.044 3.617 4.119 1.00 0.00 C ATOM 221 C GLY A 15 -4.290 3.137 3.330 1.00 0.00 C ATOM 222 O GLY A 15 -4.123 2.225 2.493 1.00 0.00 O ATOM 0 H GLY A 15 -2.112 4.429 2.416 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.745 2.823 4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.335 4.471 4.730 1.00 0.00 H new ATOM 226 N SER A 16 -5.508 3.708 3.591 1.00 0.00 N ATOM 227 CA SER A 16 -6.653 3.610 2.618 1.00 0.00 C ATOM 228 C SER A 16 -7.731 4.742 2.903 1.00 0.00 C ATOM 229 O SER A 16 -7.624 5.899 2.470 1.00 0.00 O ATOM 230 CB SER A 16 -7.309 2.229 2.359 1.00 0.00 C ATOM 231 OG SER A 16 -7.853 1.702 3.593 1.00 0.00 O ATOM 0 H SER A 16 -5.722 4.228 4.442 1.00 0.00 H new ATOM 0 HA SER A 16 -6.157 3.774 1.661 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.100 2.326 1.615 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.572 1.537 1.952 1.00 0.00 H new ATOM 0 HG SER A 16 -7.130 1.580 4.244 1.00 0.00 H new ATOM 237 N GLN A 17 -8.774 4.409 3.684 1.00 0.00 N ATOM 238 CA GLN A 17 -10.045 5.174 3.791 1.00 0.00 C ATOM 239 C GLN A 17 -10.449 5.750 5.214 1.00 0.00 C ATOM 240 O GLN A 17 -10.035 5.139 6.203 1.00 0.00 O ATOM 241 CB GLN A 17 -11.126 4.217 3.206 1.00 0.00 C ATOM 242 CG GLN A 17 -11.074 4.078 1.659 1.00 0.00 C ATOM 243 CD GLN A 17 -11.599 5.252 0.866 1.00 0.00 C ATOM 244 OE1 GLN A 17 -12.568 5.969 1.160 1.00 0.00 O ATOM 245 NE2 GLN A 17 -11.044 5.484 -0.278 1.00 0.00 N ATOM 0 H GLN A 17 -8.763 3.579 4.277 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.930 6.109 3.243 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.004 3.231 3.654 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.113 4.579 3.495 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.039 3.901 1.365 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.641 3.192 1.375 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.243 4.929 -0.578 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.407 6.222 -0.881 1.00 0.00 H new ATOM 254 N PRO A 18 -11.312 6.795 5.412 1.00 0.00 N ATOM 255 CA PRO A 18 -12.099 7.533 4.353 1.00 0.00 C ATOM 256 C PRO A 18 -11.241 8.599 3.552 1.00 0.00 C ATOM 257 O PRO A 18 -10.706 9.557 4.121 1.00 0.00 O ATOM 258 CB PRO A 18 -13.262 8.188 5.193 1.00 0.00 C ATOM 259 CG PRO A 18 -12.658 8.451 6.559 1.00 0.00 C ATOM 260 CD PRO A 18 -11.710 7.267 6.803 1.00 0.00 C ATOM 0 HA PRO A 18 -12.453 6.878 3.557 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.611 9.112 4.731 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.122 7.522 5.263 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.120 9.399 6.578 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.428 8.506 7.328 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.838 7.571 7.382 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.204 6.474 7.364 1.00 0.00 H new ATOM 268 N ARG A 19 -11.107 8.411 2.214 1.00 0.00 N ATOM 269 CA ARG A 19 -10.261 9.210 1.265 1.00 0.00 C ATOM 270 C ARG A 19 -9.017 10.052 1.767 1.00 0.00 C ATOM 271 O ARG A 19 -8.948 11.266 1.616 1.00 0.00 O ATOM 272 CB ARG A 19 -11.258 9.948 0.306 1.00 0.00 C ATOM 273 CG ARG A 19 -10.886 9.902 -1.212 1.00 0.00 C ATOM 274 CD ARG A 19 -11.965 10.372 -2.248 1.00 0.00 C ATOM 275 NE ARG A 19 -11.759 9.713 -3.609 1.00 0.00 N ATOM 276 CZ ARG A 19 -12.657 9.624 -4.577 1.00 0.00 C ATOM 277 NH1 ARG A 19 -13.792 10.285 -4.562 1.00 0.00 N ATOM 278 NH2 ARG A 19 -12.439 8.901 -5.629 1.00 0.00 N ATOM 0 H ARG A 19 -11.608 7.662 1.735 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.627 8.490 0.748 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.249 9.511 0.433 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -11.327 10.991 0.614 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.995 10.514 -1.356 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.611 8.876 -1.458 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.960 10.131 -1.873 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.919 11.456 -2.357 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.843 9.302 -3.790 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -14.013 10.901 -3.780 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.452 10.183 -5.333 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.563 8.387 -5.722 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.144 8.845 -6.364 1.00 0.00 H new ATOM 292 N THR A 20 -8.094 9.377 2.532 1.00 0.00 N ATOM 293 CA THR A 20 -7.263 10.102 3.578 1.00 0.00 C ATOM 294 C THR A 20 -5.877 10.717 3.063 1.00 0.00 C ATOM 295 O THR A 20 -5.654 11.917 3.293 1.00 0.00 O ATOM 296 CB THR A 20 -7.215 9.303 4.916 1.00 0.00 C ATOM 297 OG1 THR A 20 -8.482 8.945 5.432 1.00 0.00 O ATOM 298 CG2 THR A 20 -6.496 10.091 6.076 1.00 0.00 C ATOM 0 H THR A 20 -7.906 8.377 2.456 1.00 0.00 H new ATOM 0 HA THR A 20 -7.796 11.024 3.809 1.00 0.00 H new ATOM 0 HB THR A 20 -6.661 8.409 4.630 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.182 9.422 4.940 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.494 9.484 6.981 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.469 10.311 5.784 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.027 11.024 6.266 1.00 0.00 H new ATOM 306 N PRO A 21 -4.899 10.002 2.446 1.00 0.00 N ATOM 307 CA PRO A 21 -4.852 8.516 2.356 1.00 0.00 C ATOM 308 C PRO A 21 -4.243 7.729 3.623 1.00 0.00 C ATOM 309 O PRO A 21 -4.556 6.572 3.882 1.00 0.00 O ATOM 310 CB PRO A 21 -3.939 8.383 1.117 1.00 0.00 C ATOM 311 CG PRO A 21 -2.981 9.550 1.105 1.00 0.00 C ATOM 312 CD PRO A 21 -3.840 10.679 1.683 1.00 0.00 C ATOM 0 HA PRO A 21 -5.845 8.068 2.309 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.390 7.442 1.149 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.536 8.373 0.205 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.098 9.358 1.714 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.631 9.779 0.099 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.250 11.335 2.324 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.260 11.300 0.891 1.00 0.00 H new ATOM 320 N CYS A 22 -3.390 8.380 4.449 1.00 0.00 N ATOM 321 CA CYS A 22 -2.508 7.641 5.408 1.00 0.00 C ATOM 322 C CYS A 22 -3.109 6.919 6.678 1.00 0.00 C ATOM 323 O CYS A 22 -2.695 5.815 7.028 1.00 0.00 O ATOM 324 CB CYS A 22 -1.391 8.659 5.794 1.00 0.00 C ATOM 325 SG CYS A 22 -0.020 7.881 6.667 1.00 0.00 S ATOM 0 H CYS A 22 -3.288 9.394 4.478 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.180 6.748 4.875 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.016 9.141 4.891 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -1.818 9.442 6.420 1.00 0.00 H new ATOM 0 HG CYS A 22 0.874 8.778 6.958 1.00 0.00 H new ATOM 331 N ASN A 23 -4.135 7.493 7.312 1.00 0.00 N ATOM 332 CA ASN A 23 -4.709 7.016 8.609 1.00 0.00 C ATOM 333 C ASN A 23 -3.753 7.051 9.864 1.00 0.00 C ATOM 334 O ASN A 23 -2.732 7.757 9.819 1.00 0.00 O ATOM 335 CB ASN A 23 -5.473 5.650 8.430 1.00 0.00 C ATOM 336 CG ASN A 23 -6.765 5.671 7.629 1.00 0.00 C ATOM 337 OD1 ASN A 23 -7.869 5.545 8.166 1.00 0.00 O ATOM 338 ND2 ASN A 23 -6.701 5.699 6.322 1.00 0.00 N ATOM 0 H ASN A 23 -4.611 8.318 6.946 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.440 7.779 8.877 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.793 4.944 7.954 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.698 5.257 9.422 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.553 5.617 5.768 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.799 5.802 5.858 1.00 0.00 H new ATOM 345 N LYS A 24 -4.069 6.381 10.965 1.00 0.00 N ATOM 346 CA LYS A 24 -3.091 6.029 12.062 1.00 0.00 C ATOM 347 C LYS A 24 -2.873 4.480 12.120 1.00 0.00 C ATOM 348 O LYS A 24 -2.994 3.887 13.190 1.00 0.00 O ATOM 349 CB LYS A 24 -3.561 6.662 13.399 1.00 0.00 C ATOM 350 CG LYS A 24 -2.471 6.815 14.501 1.00 0.00 C ATOM 351 CD LYS A 24 -3.067 7.497 15.758 1.00 0.00 C ATOM 352 CE LYS A 24 -2.012 7.680 16.881 1.00 0.00 C ATOM 353 NZ LYS A 24 -2.645 8.420 17.998 1.00 0.00 N ATOM 0 H LYS A 24 -5.015 6.049 11.152 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.108 6.452 11.853 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.975 7.647 13.186 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.373 6.055 13.800 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.072 5.836 14.765 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.639 7.406 14.119 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.475 8.470 15.483 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.897 6.899 16.135 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.651 6.711 17.224 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.148 8.227 16.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.953 8.553 18.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.970 9.348 17.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.457 7.879 18.357 1.00 0.00 H new ATOM 367 N CYS A 25 -2.510 3.827 10.990 1.00 0.00 N ATOM 368 CA CYS A 25 -2.454 2.313 10.814 1.00 0.00 C ATOM 369 C CYS A 25 -2.311 1.964 9.283 1.00 0.00 C ATOM 370 O CYS A 25 -3.105 2.487 8.459 1.00 0.00 O ATOM 371 CB CYS A 25 -3.741 1.625 11.368 1.00 0.00 C ATOM 372 SG CYS A 25 -3.758 -0.171 11.023 1.00 0.00 S ATOM 0 H CYS A 25 -2.238 4.327 10.144 1.00 0.00 H new ATOM 0 HA CYS A 25 -1.594 1.944 11.373 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.805 1.788 12.444 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.621 2.089 10.922 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.518 -0.373 9.761 1.00 0.00 H new ATOM 378 N TYR A 26 -1.437 1.027 8.908 1.00 0.00 N ATOM 379 CA TYR A 26 -1.299 0.582 7.451 1.00 0.00 C ATOM 380 C TYR A 26 -2.533 -0.202 6.871 1.00 0.00 C ATOM 381 O TYR A 26 -3.170 -0.966 7.591 1.00 0.00 O ATOM 382 CB TYR A 26 -0.052 -0.344 7.353 1.00 0.00 C ATOM 383 CG TYR A 26 1.319 0.343 7.365 1.00 0.00 C ATOM 384 CD1 TYR A 26 1.849 0.897 6.196 1.00 0.00 C ATOM 385 CD2 TYR A 26 2.090 0.323 8.531 1.00 0.00 C ATOM 386 CE1 TYR A 26 3.136 1.431 6.198 1.00 0.00 C ATOM 387 CE2 TYR A 26 3.375 0.857 8.530 1.00 0.00 C ATOM 388 CZ TYR A 26 3.897 1.410 7.363 1.00 0.00 C ATOM 389 OH TYR A 26 5.157 1.938 7.361 1.00 0.00 O ATOM 0 H TYR A 26 -0.809 0.548 9.553 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.215 1.494 6.859 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.086 -1.050 8.183 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.132 -0.927 6.436 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.260 0.911 5.291 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.687 -0.108 9.435 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.543 1.861 5.295 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.967 0.843 9.433 1.00 0.00 H new ATOM 0 HH TYR A 26 5.306 2.426 6.524 1.00 0.00 H new ATOM 399 N CYS A 27 -2.896 -0.051 5.584 1.00 0.00 N ATOM 400 CA CYS A 27 -4.130 -0.646 5.029 1.00 0.00 C ATOM 401 C CYS A 27 -5.489 -0.124 5.588 1.00 0.00 C ATOM 402 O CYS A 27 -5.985 0.903 5.147 1.00 0.00 O ATOM 403 CB CYS A 27 -3.993 -2.206 4.910 1.00 0.00 C ATOM 404 SG CYS A 27 -5.179 -2.728 3.621 1.00 0.00 S ATOM 0 H CYS A 27 -2.351 0.480 4.905 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.208 -0.252 4.016 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.975 -2.487 4.639 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.215 -2.690 5.861 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.539 -3.316 2.655 1.00 0.00 H new ATOM 410 N LYS A 28 -6.090 -0.782 6.612 1.00 0.00 N ATOM 411 CA LYS A 28 -7.150 -0.174 7.443 1.00 0.00 C ATOM 412 C LYS A 28 -8.523 0.099 6.705 1.00 0.00 C ATOM 413 O LYS A 28 -8.778 1.212 6.258 1.00 0.00 O ATOM 414 CB LYS A 28 -6.608 1.080 8.203 1.00 0.00 C ATOM 415 CG LYS A 28 -7.177 1.372 9.618 1.00 0.00 C ATOM 416 CD LYS A 28 -8.712 1.565 9.812 1.00 0.00 C ATOM 417 CE LYS A 28 -9.330 2.942 9.524 1.00 0.00 C ATOM 418 NZ LYS A 28 -9.686 3.092 8.098 1.00 0.00 N ATOM 0 H LYS A 28 -5.854 -1.738 6.879 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.415 -0.935 8.176 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.527 0.976 8.292 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.794 1.955 7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.868 0.553 10.268 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.687 2.274 9.986 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.218 0.837 9.178 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.949 1.307 10.844 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.221 3.077 10.138 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.626 3.724 9.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.775 4.102 7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.943 2.666 7.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.591 2.614 7.914 1.00 0.00 H new ATOM 432 N LYS A 29 -9.456 -0.882 6.648 1.00 0.00 N ATOM 433 CA LYS A 29 -10.815 -0.701 6.075 1.00 0.00 C ATOM 434 C LYS A 29 -11.628 0.441 6.767 1.00 0.00 C ATOM 435 O LYS A 29 -11.442 0.679 7.975 1.00 0.00 O ATOM 436 CB LYS A 29 -11.491 -2.132 6.140 1.00 0.00 C ATOM 437 CG LYS A 29 -12.916 -2.308 5.619 1.00 0.00 C ATOM 438 CD LYS A 29 -14.010 -2.193 6.698 1.00 0.00 C ATOM 439 CE LYS A 29 -15.440 -2.543 6.241 1.00 0.00 C ATOM 440 NZ LYS A 29 -16.444 -2.106 7.242 1.00 0.00 N ATOM 0 H LYS A 29 -9.288 -1.825 6.999 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.777 -0.351 5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.852 -2.822 5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.481 -2.453 7.182 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.103 -1.559 4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.996 -3.284 5.141 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.744 -2.846 7.530 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.010 -1.173 7.081 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.646 -2.066 5.283 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.522 -3.619 6.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.391 -2.414 6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.220 -2.528 8.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.426 -1.069 7.322 1.00 0.00 H new ATOM 454 N CYS A 30 -12.511 1.190 6.038 1.00 0.00 N ATOM 455 CA CYS A 30 -13.615 1.936 6.700 1.00 0.00 C ATOM 456 C CYS A 30 -15.012 1.566 6.125 1.00 0.00 C ATOM 457 O CYS A 30 -15.722 0.850 6.813 1.00 0.00 O ATOM 458 CB CYS A 30 -13.291 3.449 6.836 1.00 0.00 C ATOM 459 SG CYS A 30 -14.607 4.328 7.703 1.00 0.00 S ATOM 0 H CYS A 30 -12.479 1.289 5.023 1.00 0.00 H new ATOM 0 HA CYS A 30 -13.690 1.602 7.735 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.351 3.575 7.374 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -13.152 3.883 5.846 1.00 0.00 H new ATOM 0 HG CYS A 30 -14.298 5.587 7.798 1.00 0.00 H new ATOM 465 N CYS A 31 -15.562 1.902 4.940 1.00 0.00 N ATOM 466 CA CYS A 31 -14.833 2.429 3.740 1.00 0.00 C ATOM 467 C CYS A 31 -14.134 1.308 2.886 1.00 0.00 C ATOM 468 O CYS A 31 -13.702 0.286 3.434 1.00 0.00 O ATOM 469 CB CYS A 31 -15.897 3.355 3.058 1.00 0.00 C ATOM 470 SG CYS A 31 -17.403 2.442 2.594 1.00 0.00 S ATOM 0 H CYS A 31 -16.565 1.815 4.774 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.940 3.015 3.960 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.160 4.166 3.737 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.462 3.812 2.169 1.00 0.00 H new ATOM 0 HG CYS A 31 -17.356 1.244 3.097 1.00 0.00 H new ATOM 476 N TYR A 32 -13.875 1.605 1.607 1.00 0.00 N ATOM 477 CA TYR A 32 -13.221 0.626 0.667 1.00 0.00 C ATOM 478 C TYR A 32 -11.682 0.280 0.983 1.00 0.00 C ATOM 479 O TYR A 32 -10.757 1.075 0.709 1.00 0.00 O ATOM 480 CB TYR A 32 -13.313 1.097 -0.814 1.00 0.00 C ATOM 481 CG TYR A 32 -12.807 0.119 -1.881 1.00 0.00 C ATOM 482 CD1 TYR A 32 -13.620 -0.944 -2.287 1.00 0.00 C ATOM 483 CD2 TYR A 32 -11.522 0.249 -2.416 1.00 0.00 C ATOM 484 CE1 TYR A 32 -13.150 -1.871 -3.213 1.00 0.00 C ATOM 485 CE2 TYR A 32 -11.055 -0.680 -3.342 1.00 0.00 C ATOM 486 CZ TYR A 32 -11.868 -1.738 -3.740 1.00 0.00 C ATOM 487 OH TYR A 32 -11.404 -2.648 -4.647 1.00 0.00 O ATOM 0 H TYR A 32 -14.099 2.504 1.181 1.00 0.00 H new ATOM 0 HA TYR A 32 -13.795 -0.287 0.829 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -14.355 1.330 -1.033 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -12.752 2.026 -0.911 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -14.616 -1.046 -1.881 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.891 1.071 -2.111 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -13.779 -2.693 -3.522 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -10.061 -0.580 -3.752 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.454 -2.266 -5.548 1.00 0.00 H new ATOM 497 N HIS A 33 -11.371 -0.982 1.337 1.00 0.00 N ATOM 498 CA HIS A 33 -10.450 -1.768 0.470 1.00 0.00 C ATOM 499 C HIS A 33 -11.023 -3.215 0.196 1.00 0.00 C ATOM 500 O HIS A 33 -11.381 -3.923 1.165 1.00 0.00 O ATOM 501 CB HIS A 33 -9.017 -1.855 1.023 1.00 0.00 C ATOM 502 CG HIS A 33 -8.100 -2.614 0.110 1.00 0.00 C ATOM 503 ND1 HIS A 33 -7.963 -3.999 0.061 1.00 0.00 N ATOM 504 CD2 HIS A 33 -7.742 -2.025 -1.094 1.00 0.00 C ATOM 505 CE1 HIS A 33 -7.528 -4.142 -1.206 1.00 0.00 C ATOM 506 NE2 HIS A 33 -7.366 -3.020 -1.958 1.00 0.00 N ATOM 0 H HIS A 33 -11.717 -1.464 2.167 1.00 0.00 H new ATOM 0 HA HIS A 33 -10.389 -1.223 -0.472 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.626 -0.849 1.173 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.035 -2.338 2.000 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -8.141 -4.702 0.778 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.757 -0.967 -1.312 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -7.314 -5.119 -1.613 1.00 0.00 H new ATOM 515 N CYS A 34 -10.939 -3.680 -1.068 1.00 0.00 N ATOM 516 CA CYS A 34 -11.312 -5.052 -1.455 1.00 0.00 C ATOM 517 C CYS A 34 -10.138 -6.122 -1.308 1.00 0.00 C ATOM 518 O CYS A 34 -9.093 -6.020 -1.972 1.00 0.00 O ATOM 519 CB CYS A 34 -11.906 -4.995 -2.845 1.00 0.00 C ATOM 520 SG CYS A 34 -12.453 -6.607 -3.506 1.00 0.00 S ATOM 0 H CYS A 34 -10.610 -3.112 -1.848 1.00 0.00 H new ATOM 0 HA CYS A 34 -12.056 -5.424 -0.751 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -12.757 -4.314 -2.834 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.167 -4.571 -3.524 1.00 0.00 H new ATOM 0 HG CYS A 34 -12.296 -6.623 -4.796 1.00 0.00 H new ATOM 526 N GLN A 35 -10.377 -7.122 -0.437 1.00 0.00 N ATOM 527 CA GLN A 35 -9.475 -8.275 -0.231 1.00 0.00 C ATOM 528 C GLN A 35 -7.951 -8.043 0.128 1.00 0.00 C ATOM 529 O GLN A 35 -7.613 -7.970 1.310 1.00 0.00 O ATOM 530 CB GLN A 35 -9.781 -9.332 -1.319 1.00 0.00 C ATOM 531 CG GLN A 35 -9.590 -10.853 -0.967 1.00 0.00 C ATOM 532 CD GLN A 35 -10.401 -11.386 0.227 1.00 0.00 C ATOM 533 OE1 GLN A 35 -10.051 -11.273 1.392 1.00 0.00 O ATOM 534 NE2 GLN A 35 -11.506 -12.018 0.070 1.00 0.00 N ATOM 0 H GLN A 35 -11.210 -7.153 0.150 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.723 -8.665 0.756 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.815 -9.193 -1.634 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.152 -9.111 -2.182 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.849 -11.442 -1.846 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.533 -11.027 -0.767 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.882 -12.164 -0.867 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.009 -12.375 0.882 1.00 0.00 H new ATOM 543 N MET A 36 -7.006 -7.971 -0.842 1.00 0.00 N ATOM 544 CA MET A 36 -5.515 -8.152 -0.600 1.00 0.00 C ATOM 545 C MET A 36 -4.916 -7.002 0.324 1.00 0.00 C ATOM 546 O MET A 36 -4.764 -5.854 -0.155 1.00 0.00 O ATOM 547 CB MET A 36 -5.049 -9.676 -0.393 1.00 0.00 C ATOM 548 CG MET A 36 -5.184 -10.522 -1.692 1.00 0.00 C ATOM 549 SD MET A 36 -4.520 -12.192 -1.389 1.00 0.00 S ATOM 550 CE MET A 36 -4.949 -12.924 -3.012 1.00 0.00 C ATOM 0 H MET A 36 -7.234 -7.787 -1.819 1.00 0.00 H new ATOM 0 HA MET A 36 -4.982 -7.970 -1.533 1.00 0.00 H new ATOM 0 HB2 MET A 36 -4.012 -9.693 -0.058 1.00 0.00 H new ATOM 0 HB3 MET A 36 -5.646 -10.131 0.397 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.230 -10.582 -1.994 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.643 -10.045 -2.509 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.624 -13.964 -3.039 1.00 0.00 H new ATOM 0 HE2 MET A 36 -6.028 -12.877 -3.159 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.451 -12.367 -3.805 1.00 0.00 H new ATOM 560 N CYS A 37 -4.634 -7.267 1.615 1.00 0.00 N ATOM 561 CA CYS A 37 -4.162 -6.260 2.582 1.00 0.00 C ATOM 562 C CYS A 37 -2.786 -5.612 2.291 1.00 0.00 C ATOM 563 O CYS A 37 -2.826 -4.419 1.988 1.00 0.00 O ATOM 564 CB CYS A 37 -4.189 -6.894 3.992 1.00 0.00 C ATOM 565 SG CYS A 37 -3.800 -5.667 5.266 1.00 0.00 S ATOM 0 H CYS A 37 -4.729 -8.199 2.019 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.849 -5.418 2.497 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.173 -7.322 4.183 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.471 -7.713 4.040 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.833 -6.231 6.437 1.00 0.00 H new ATOM 571 N PHE A 38 -1.651 -6.345 2.333 1.00 0.00 N ATOM 572 CA PHE A 38 -0.281 -5.888 1.908 1.00 0.00 C ATOM 573 C PHE A 38 0.722 -7.100 1.809 1.00 0.00 C ATOM 574 O PHE A 38 1.317 -7.464 2.837 1.00 0.00 O ATOM 575 CB PHE A 38 0.403 -4.734 2.702 1.00 0.00 C ATOM 576 CG PHE A 38 0.026 -3.303 2.287 1.00 0.00 C ATOM 577 CD1 PHE A 38 0.022 -2.930 0.940 1.00 0.00 C ATOM 578 CD2 PHE A 38 -0.203 -2.335 3.271 1.00 0.00 C ATOM 579 CE1 PHE A 38 -0.217 -1.605 0.583 1.00 0.00 C ATOM 580 CE2 PHE A 38 -0.451 -1.014 2.913 1.00 0.00 C ATOM 581 CZ PHE A 38 -0.456 -0.649 1.568 1.00 0.00 C ATOM 0 H PHE A 38 -1.648 -7.307 2.673 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.501 -5.445 0.937 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.164 -4.858 3.758 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.483 -4.845 2.604 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.204 -3.670 0.175 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.187 -2.615 4.314 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.217 -1.318 -0.458 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.639 -0.273 3.676 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.646 0.377 1.289 1.00 0.00 H new ATOM 591 N ILE A 39 0.912 -7.707 0.600 1.00 0.00 N ATOM 592 CA ILE A 39 1.870 -8.824 0.398 1.00 0.00 C ATOM 593 C ILE A 39 3.202 -8.199 -0.184 1.00 0.00 C ATOM 594 O ILE A 39 3.183 -7.642 -1.264 1.00 0.00 O ATOM 595 CB ILE A 39 1.331 -10.075 -0.385 1.00 0.00 C ATOM 596 CG1 ILE A 39 0.306 -9.867 -1.546 1.00 0.00 C ATOM 597 CG2 ILE A 39 0.775 -11.126 0.594 1.00 0.00 C ATOM 598 CD1 ILE A 39 0.733 -9.018 -2.766 1.00 0.00 C ATOM 0 H ILE A 39 0.411 -7.437 -0.246 1.00 0.00 H new ATOM 0 HA ILE A 39 2.064 -9.289 1.365 1.00 0.00 H new ATOM 0 HB ILE A 39 2.230 -10.404 -0.906 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.017 -10.852 -1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.588 -9.410 -1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.406 -11.985 0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.566 -11.447 1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.041 -10.691 1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.088 -8.970 -3.481 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.988 -8.010 -2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.601 -9.475 -3.241 1.00 0.00 H new ATOM 610 N THR A 40 4.358 -8.310 0.485 1.00 0.00 N ATOM 611 CA THR A 40 5.534 -7.432 0.298 1.00 0.00 C ATOM 612 C THR A 40 6.433 -7.795 -0.897 1.00 0.00 C ATOM 613 O THR A 40 7.549 -8.248 -0.671 1.00 0.00 O ATOM 614 CB THR A 40 6.338 -7.209 1.618 1.00 0.00 C ATOM 615 OG1 THR A 40 6.974 -8.371 2.128 1.00 0.00 O ATOM 616 CG2 THR A 40 5.445 -6.757 2.788 1.00 0.00 C ATOM 0 H THR A 40 4.511 -9.030 1.191 1.00 0.00 H new ATOM 0 HA THR A 40 5.107 -6.467 0.024 1.00 0.00 H new ATOM 0 HB THR A 40 7.065 -6.458 1.310 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.455 -8.824 1.405 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.056 -6.617 3.679 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.957 -5.817 2.531 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.688 -7.517 2.983 1.00 0.00 H new ATOM 624 N LYS A 41 5.926 -7.621 -2.141 1.00 0.00 N ATOM 625 CA LYS A 41 6.665 -7.969 -3.390 1.00 0.00 C ATOM 626 C LYS A 41 7.603 -6.803 -3.928 1.00 0.00 C ATOM 627 O LYS A 41 7.238 -6.099 -4.855 1.00 0.00 O ATOM 628 CB LYS A 41 5.647 -8.597 -4.421 1.00 0.00 C ATOM 629 CG LYS A 41 4.168 -8.173 -4.605 1.00 0.00 C ATOM 630 CD LYS A 41 3.924 -6.745 -5.150 1.00 0.00 C ATOM 631 CE LYS A 41 2.461 -6.360 -4.865 1.00 0.00 C ATOM 632 NZ LYS A 41 2.104 -5.062 -5.427 1.00 0.00 N ATOM 0 H LYS A 41 4.997 -7.237 -2.312 1.00 0.00 H new ATOM 0 HA LYS A 41 7.409 -8.738 -3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.111 -8.484 -5.401 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.623 -9.664 -4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.691 -8.883 -5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.665 -8.262 -3.642 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.602 -6.036 -4.674 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.124 -6.708 -6.221 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.801 -7.124 -5.276 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.297 -6.343 -3.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.115 -4.842 -5.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.725 -4.329 -5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.217 -5.088 -6.460 1.00 0.00 H new ATOM 646 N GLY A 42 8.771 -6.623 -3.326 1.00 0.00 N ATOM 647 CA GLY A 42 9.768 -5.617 -3.808 1.00 0.00 C ATOM 648 C GLY A 42 10.160 -4.631 -2.664 1.00 0.00 C ATOM 649 O GLY A 42 9.342 -3.787 -2.245 1.00 0.00 O ATOM 0 H GLY A 42 9.071 -7.148 -2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.658 -6.128 -4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.352 -5.060 -4.647 1.00 0.00 H new ATOM 653 N LEU A 43 11.417 -4.639 -2.163 1.00 0.00 N ATOM 654 CA LEU A 43 11.838 -3.988 -0.901 1.00 0.00 C ATOM 655 C LEU A 43 12.538 -2.571 -1.147 1.00 0.00 C ATOM 656 O LEU A 43 13.758 -2.390 -0.951 1.00 0.00 O ATOM 657 CB LEU A 43 12.651 -4.966 0.020 1.00 0.00 C ATOM 658 CG LEU A 43 12.079 -6.395 0.305 1.00 0.00 C ATOM 659 CD1 LEU A 43 13.073 -7.262 1.111 1.00 0.00 C ATOM 660 CD2 LEU A 43 10.680 -6.394 0.992 1.00 0.00 C ATOM 0 H LEU A 43 12.186 -5.111 -2.638 1.00 0.00 H new ATOM 0 HA LEU A 43 10.936 -3.751 -0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.639 -5.090 -0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.793 -4.471 0.981 1.00 0.00 H new ATOM 0 HG LEU A 43 11.939 -6.840 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.638 -8.246 1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 43 14.000 -7.371 0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 43 13.283 -6.781 2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.354 -7.421 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.745 -5.878 1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.961 -5.882 0.352 1.00 0.00 H new ATOM 672 N GLY A 44 11.756 -1.548 -1.509 1.00 0.00 N ATOM 673 CA GLY A 44 12.266 -0.159 -1.692 1.00 0.00 C ATOM 674 C GLY A 44 12.511 0.667 -0.388 1.00 0.00 C ATOM 675 O GLY A 44 13.615 0.725 0.084 1.00 0.00 O ATOM 0 H GLY A 44 10.756 -1.645 -1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.203 -0.209 -2.246 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.557 0.387 -2.314 1.00 0.00 H new ATOM 679 N ILE A 45 11.457 1.211 0.216 1.00 0.00 N ATOM 680 CA ILE A 45 11.423 1.520 1.696 1.00 0.00 C ATOM 681 C ILE A 45 10.095 1.000 2.279 1.00 0.00 C ATOM 682 O ILE A 45 10.161 0.111 3.141 1.00 0.00 O ATOM 683 CB ILE A 45 11.740 2.996 2.126 1.00 0.00 C ATOM 684 CG1 ILE A 45 13.153 3.454 1.630 1.00 0.00 C ATOM 685 CG2 ILE A 45 11.711 3.177 3.673 1.00 0.00 C ATOM 686 CD1 ILE A 45 13.529 4.926 1.798 1.00 0.00 C ATOM 0 H ILE A 45 10.598 1.458 -0.275 1.00 0.00 H new ATOM 0 HA ILE A 45 12.271 0.990 2.130 1.00 0.00 H new ATOM 0 HB ILE A 45 10.961 3.604 1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 45 13.900 2.857 2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 45 13.231 3.208 0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.936 4.214 3.922 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.722 2.920 4.051 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.455 2.524 4.130 1.00 0.00 H new ATOM 0 HD11 ILE A 45 14.534 5.091 1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 45 12.821 5.547 1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.500 5.190 2.855 1.00 0.00 H new ATOM 698 N SER A 46 8.936 1.530 1.872 1.00 0.00 N ATOM 699 CA SER A 46 7.593 1.218 2.453 1.00 0.00 C ATOM 700 C SER A 46 7.176 -0.291 2.569 1.00 0.00 C ATOM 701 O SER A 46 7.140 -0.759 3.705 1.00 0.00 O ATOM 702 CB SER A 46 6.532 2.190 1.828 1.00 0.00 C ATOM 703 OG SER A 46 6.334 2.025 0.422 1.00 0.00 O ATOM 0 H SER A 46 8.888 2.207 1.111 1.00 0.00 H new ATOM 0 HA SER A 46 7.660 1.418 3.522 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.579 2.043 2.336 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.841 3.217 2.021 1.00 0.00 H new ATOM 0 HG SER A 46 5.722 2.716 0.095 1.00 0.00 H new ATOM 709 N TYR A 47 7.265 -1.102 1.516 1.00 0.00 N ATOM 710 CA TYR A 47 7.533 -2.565 1.638 1.00 0.00 C ATOM 711 C TYR A 47 8.968 -2.887 2.230 1.00 0.00 C ATOM 712 O TYR A 47 10.007 -2.658 1.603 1.00 0.00 O ATOM 713 CB TYR A 47 7.369 -3.364 0.313 1.00 0.00 C ATOM 714 CG TYR A 47 5.936 -3.694 -0.120 1.00 0.00 C ATOM 715 CD1 TYR A 47 4.902 -3.747 0.820 1.00 0.00 C ATOM 716 CD2 TYR A 47 5.699 -4.115 -1.432 1.00 0.00 C ATOM 717 CE1 TYR A 47 3.642 -4.210 0.446 1.00 0.00 C ATOM 718 CE2 TYR A 47 4.439 -4.578 -1.802 1.00 0.00 C ATOM 719 CZ TYR A 47 3.413 -4.625 -0.862 1.00 0.00 C ATOM 720 OH TYR A 47 2.175 -5.077 -1.225 1.00 0.00 O ATOM 0 H TYR A 47 7.157 -0.783 0.553 1.00 0.00 H new ATOM 0 HA TYR A 47 6.761 -2.893 2.335 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.844 -2.797 -0.487 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.919 -4.300 0.410 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.080 -3.429 1.837 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.495 -4.081 -2.161 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.843 -4.247 1.172 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.258 -4.900 -2.817 1.00 0.00 H new ATOM 0 HH TYR A 47 2.200 -6.051 -1.331 1.00 0.00 H new ATOM 730 N GLY A 48 9.004 -3.487 3.461 1.00 0.00 N ATOM 731 CA GLY A 48 10.265 -3.604 4.279 1.00 0.00 C ATOM 732 C GLY A 48 10.203 -4.638 5.424 1.00 0.00 C ATOM 733 O GLY A 48 9.422 -4.503 6.360 1.00 0.00 O ATOM 0 H GLY A 48 8.184 -3.895 3.909 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.088 -3.868 3.615 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.498 -2.627 4.703 1.00 0.00 H new ATOM 737 N ARG A 49 11.160 -5.604 5.442 1.00 0.00 N ATOM 738 CA ARG A 49 11.494 -6.410 6.622 1.00 0.00 C ATOM 739 C ARG A 49 12.316 -5.551 7.669 1.00 0.00 C ATOM 740 O ARG A 49 11.753 -5.097 8.683 1.00 0.00 O ATOM 741 CB ARG A 49 12.143 -7.718 6.093 1.00 0.00 C ATOM 742 CG ARG A 49 12.449 -8.807 7.168 1.00 0.00 C ATOM 743 CD ARG A 49 13.125 -10.081 6.590 1.00 0.00 C ATOM 744 NE ARG A 49 13.263 -11.146 7.632 1.00 0.00 N ATOM 745 CZ ARG A 49 13.690 -12.382 7.416 1.00 0.00 C ATOM 746 NH1 ARG A 49 14.145 -12.812 6.245 1.00 0.00 N ATOM 747 NH2 ARG A 49 13.676 -13.237 8.371 1.00 0.00 N ATOM 0 H ARG A 49 11.721 -5.839 4.623 1.00 0.00 H new ATOM 0 HA ARG A 49 10.629 -6.714 7.212 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.482 -8.151 5.342 1.00 0.00 H new ATOM 0 HB3 ARG A 49 13.074 -7.461 5.588 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.096 -8.378 7.933 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.519 -9.091 7.660 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.536 -10.461 5.755 1.00 0.00 H new ATOM 0 HD3 ARG A 49 14.109 -9.826 6.196 1.00 0.00 H new ATOM 0 HE ARG A 49 13.007 -10.900 8.588 1.00 0.00 H new ATOM 0 HH11 ARG A 49 14.180 -12.177 5.447 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.460 -13.777 6.143 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.337 -12.965 9.294 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.004 -14.189 8.208 1.00 0.00 H new ATOM 761 N LYS A 50 13.578 -5.132 7.345 1.00 0.00 N ATOM 762 CA LYS A 50 14.300 -3.974 8.009 1.00 0.00 C ATOM 763 C LYS A 50 14.329 -2.623 7.186 1.00 0.00 C ATOM 764 O LYS A 50 15.351 -1.929 7.076 1.00 0.00 O ATOM 765 CB LYS A 50 15.649 -4.517 8.588 1.00 0.00 C ATOM 766 CG LYS A 50 16.239 -3.618 9.710 1.00 0.00 C ATOM 767 CD LYS A 50 17.741 -3.866 9.894 1.00 0.00 C ATOM 768 CE LYS A 50 18.362 -3.160 11.096 1.00 0.00 C ATOM 769 NZ LYS A 50 19.861 -3.339 11.053 1.00 0.00 N ATOM 0 H LYS A 50 14.133 -5.582 6.616 1.00 0.00 H new ATOM 0 HA LYS A 50 13.718 -3.606 8.854 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.490 -5.521 8.982 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.376 -4.603 7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.069 -2.570 9.465 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.719 -3.815 10.647 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.909 -4.938 9.993 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.262 -3.544 8.992 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.109 -2.100 11.082 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.960 -3.571 12.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.291 -2.860 11.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.091 -4.353 11.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.235 -2.927 10.174 1.00 0.00 H new ATOM 783 N LYS A 51 13.155 -2.185 6.675 1.00 0.00 N ATOM 784 CA LYS A 51 12.983 -0.790 6.223 1.00 0.00 C ATOM 785 C LYS A 51 11.560 -0.282 6.742 1.00 0.00 C ATOM 786 O LYS A 51 11.494 0.067 7.926 1.00 0.00 O ATOM 787 CB LYS A 51 13.271 -0.730 4.666 1.00 0.00 C ATOM 788 CG LYS A 51 14.730 -0.971 4.145 1.00 0.00 C ATOM 789 CD LYS A 51 14.684 -1.096 2.586 1.00 0.00 C ATOM 790 CE LYS A 51 16.033 -1.418 1.907 1.00 0.00 C ATOM 791 NZ LYS A 51 15.964 -1.135 0.435 1.00 0.00 N ATOM 0 H LYS A 51 12.326 -2.769 6.567 1.00 0.00 H new ATOM 0 HA LYS A 51 13.695 -0.082 6.646 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.626 -1.465 4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.955 0.251 4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.379 -0.147 4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.145 -1.877 4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.969 -1.875 2.322 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.304 -0.161 2.175 1.00 0.00 H new ATOM 0 HE2 LYS A 51 16.826 -0.823 2.360 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.288 -2.465 2.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 16.836 -1.467 -0.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.147 -1.630 0.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.861 -0.111 0.283 1.00 0.00 H new ATOM 805 N ARG A 52 10.478 -0.221 5.944 1.00 0.00 N ATOM 806 CA ARG A 52 9.131 0.299 6.305 1.00 0.00 C ATOM 807 C ARG A 52 8.935 1.717 6.941 1.00 0.00 C ATOM 808 O ARG A 52 8.961 1.860 8.168 1.00 0.00 O ATOM 809 CB ARG A 52 8.347 -0.867 7.014 1.00 0.00 C ATOM 810 CG ARG A 52 6.853 -0.667 7.380 1.00 0.00 C ATOM 811 CD ARG A 52 6.265 -1.971 8.014 1.00 0.00 C ATOM 812 NE ARG A 52 6.773 -2.150 9.403 1.00 0.00 N ATOM 813 CZ ARG A 52 7.751 -2.921 9.821 1.00 0.00 C ATOM 814 NH1 ARG A 52 8.329 -3.835 9.058 1.00 0.00 N ATOM 815 NH2 ARG A 52 8.142 -2.831 11.039 1.00 0.00 N ATOM 0 H ARG A 52 10.514 -0.548 4.979 1.00 0.00 H new ATOM 0 HA ARG A 52 8.693 0.587 5.350 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.411 -1.744 6.370 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.880 -1.108 7.934 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.752 0.162 8.080 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.286 -0.402 6.488 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.176 -1.920 8.022 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.539 -2.833 7.406 1.00 0.00 H new ATOM 0 HE ARG A 52 6.300 -1.603 10.123 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.018 -3.966 8.095 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.085 -4.408 9.433 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.695 -2.167 11.670 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.900 -3.424 11.376 1.00 0.00 H new ATOM 829 N ARG A 53 8.651 2.742 6.121 1.00 0.00 N ATOM 830 CA ARG A 53 8.086 4.027 6.626 1.00 0.00 C ATOM 831 C ARG A 53 6.822 4.461 5.767 1.00 0.00 C ATOM 832 O ARG A 53 6.214 3.647 5.073 1.00 0.00 O ATOM 833 CB ARG A 53 9.285 5.017 6.664 1.00 0.00 C ATOM 834 CG ARG A 53 9.110 6.132 7.747 1.00 0.00 C ATOM 835 CD ARG A 53 10.318 7.051 7.938 1.00 0.00 C ATOM 836 NE ARG A 53 10.532 8.027 6.780 1.00 0.00 N ATOM 837 CZ ARG A 53 11.359 9.069 6.819 1.00 0.00 C ATOM 838 NH1 ARG A 53 11.953 9.463 7.916 1.00 0.00 N ATOM 839 NH2 ARG A 53 11.574 9.739 5.746 1.00 0.00 N ATOM 0 H ARG A 53 8.798 2.718 5.112 1.00 0.00 H new ATOM 0 HA ARG A 53 7.670 3.970 7.632 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.203 4.463 6.863 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.399 5.482 5.685 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.248 6.743 7.480 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.881 5.657 8.701 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.191 7.617 8.861 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.213 6.441 8.058 1.00 0.00 H new ATOM 0 HE ARG A 53 10.006 7.869 5.921 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.790 8.965 8.791 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.579 10.268 7.896 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.113 9.471 4.876 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.206 10.540 5.763 1.00 0.00 H new ATOM 853 N GLN A 54 6.282 5.695 5.928 1.00 0.00 N ATOM 854 CA GLN A 54 4.895 6.040 5.538 1.00 0.00 C ATOM 855 C GLN A 54 4.776 7.596 5.346 1.00 0.00 C ATOM 856 O GLN A 54 4.793 8.418 6.293 1.00 0.00 O ATOM 857 CB GLN A 54 3.979 5.543 6.684 1.00 0.00 C ATOM 858 CG GLN A 54 2.447 5.546 6.406 1.00 0.00 C ATOM 859 CD GLN A 54 1.494 5.267 7.550 1.00 0.00 C ATOM 860 OE1 GLN A 54 1.605 5.829 8.629 1.00 0.00 O ATOM 861 NE2 GLN A 54 0.407 4.518 7.341 1.00 0.00 N ATOM 0 H GLN A 54 6.797 6.477 6.332 1.00 0.00 H new ATOM 0 HA GLN A 54 4.607 5.574 4.596 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.276 4.526 6.941 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.167 6.161 7.562 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.189 6.521 5.993 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.252 4.808 5.628 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.284 4.035 6.451 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.299 4.429 8.072 1.00 0.00 H new ATOM 870 N ARG A 55 4.617 8.051 4.077 1.00 0.00 N ATOM 871 CA ARG A 55 4.699 9.500 3.712 1.00 0.00 C ATOM 872 C ARG A 55 3.376 9.956 3.035 1.00 0.00 C ATOM 873 O ARG A 55 3.059 9.503 1.913 1.00 0.00 O ATOM 874 CB ARG A 55 5.951 9.816 2.867 1.00 0.00 C ATOM 875 CG ARG A 55 6.358 11.333 2.824 1.00 0.00 C ATOM 876 CD ARG A 55 7.642 11.523 1.949 1.00 0.00 C ATOM 877 NE ARG A 55 7.985 12.982 1.746 1.00 0.00 N ATOM 878 CZ ARG A 55 9.145 13.415 1.253 1.00 0.00 C ATOM 879 NH1 ARG A 55 10.206 12.675 1.114 1.00 0.00 N ATOM 880 NH2 ARG A 55 9.246 14.640 0.862 1.00 0.00 N ATOM 0 H ARG A 55 4.431 7.438 3.283 1.00 0.00 H new ATOM 0 HA ARG A 55 4.816 10.082 4.626 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.790 9.241 3.259 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.779 9.473 1.847 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.539 11.925 2.415 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.541 11.697 3.835 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.482 11.017 2.425 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.492 11.049 0.979 1.00 0.00 H new ATOM 0 HE ARG A 55 7.285 13.678 2.002 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.183 11.694 1.391 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.061 13.076 0.728 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.443 15.265 0.932 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.129 14.983 0.483 1.00 0.00 H new ATOM 894 N ARG A 56 2.658 10.948 3.668 1.00 0.00 N ATOM 895 CA ARG A 56 1.449 11.547 3.060 1.00 0.00 C ATOM 896 C ARG A 56 1.665 12.804 2.106 1.00 0.00 C ATOM 897 O ARG A 56 2.301 13.751 2.549 1.00 0.00 O ATOM 898 CB ARG A 56 0.497 11.926 4.258 1.00 0.00 C ATOM 899 CG ARG A 56 -0.949 12.205 3.877 1.00 0.00 C ATOM 900 CD ARG A 56 -1.653 13.285 4.714 1.00 0.00 C ATOM 901 NE ARG A 56 -2.990 13.580 4.119 1.00 0.00 N ATOM 902 CZ ARG A 56 -3.179 14.395 3.056 1.00 0.00 C ATOM 903 NH1 ARG A 56 -2.223 15.038 2.417 1.00 0.00 N ATOM 904 NH2 ARG A 56 -4.392 14.525 2.625 1.00 0.00 N ATOM 0 H ARG A 56 2.903 11.332 4.581 1.00 0.00 H new ATOM 0 HA ARG A 56 1.034 10.803 2.380 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.514 11.114 4.985 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.901 12.807 4.756 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.980 12.503 2.829 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.515 11.277 3.961 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.768 12.946 5.743 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.047 14.191 4.743 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.809 13.141 4.539 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.253 14.939 2.717 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.453 15.635 1.622 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.153 14.024 3.084 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.587 15.128 1.826 1.00 0.00 H new ATOM 918 N ARG A 57 1.040 12.927 0.906 1.00 0.00 N ATOM 919 CA ARG A 57 1.091 14.183 0.074 1.00 0.00 C ATOM 920 C ARG A 57 -0.185 14.579 -0.766 1.00 0.00 C ATOM 921 O ARG A 57 -0.678 15.689 -0.562 1.00 0.00 O ATOM 922 CB ARG A 57 2.428 14.236 -0.670 1.00 0.00 C ATOM 923 CG ARG A 57 2.886 15.516 -1.407 1.00 0.00 C ATOM 924 CD ARG A 57 2.348 15.705 -2.857 1.00 0.00 C ATOM 925 NE ARG A 57 3.290 16.561 -3.604 1.00 0.00 N ATOM 926 CZ ARG A 57 2.999 17.644 -4.319 1.00 0.00 C ATOM 927 NH1 ARG A 57 1.823 18.270 -4.285 1.00 0.00 N ATOM 928 NH2 ARG A 57 3.948 18.115 -5.081 1.00 0.00 N ATOM 0 H ARG A 57 0.492 12.178 0.483 1.00 0.00 H new ATOM 0 HA ARG A 57 1.044 15.012 0.780 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.205 13.991 0.054 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.414 13.433 -1.407 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.584 16.379 -0.814 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.975 15.520 -1.443 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.243 14.739 -3.350 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.358 16.161 -2.836 1.00 0.00 H new ATOM 0 HE ARG A 57 4.273 16.292 -3.568 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.077 17.922 -3.683 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.669 19.097 -4.861 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.858 17.654 -5.106 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.780 18.944 -5.651 1.00 0.00 H new ATOM 942 N PRO A 58 -0.778 13.787 -1.721 1.00 0.00 N ATOM 943 CA PRO A 58 -2.065 14.140 -2.358 1.00 0.00 C ATOM 944 C PRO A 58 -3.387 14.069 -1.469 1.00 0.00 C ATOM 945 O PRO A 58 -3.276 13.779 -0.256 1.00 0.00 O ATOM 946 CB PRO A 58 -1.975 13.227 -3.599 1.00 0.00 C ATOM 947 CG PRO A 58 -1.202 11.985 -3.123 1.00 0.00 C ATOM 948 CD PRO A 58 -0.142 12.577 -2.276 1.00 0.00 C ATOM 0 HA PRO A 58 -2.186 15.200 -2.581 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.966 12.959 -3.965 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.457 13.725 -4.419 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.838 11.302 -2.560 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.787 11.420 -3.958 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.172 11.892 -1.489 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.746 12.822 -2.858 1.00 0.00 H new ATOM 956 N PRO A 59 -4.628 14.334 -1.998 1.00 0.00 N ATOM 957 CA PRO A 59 -5.881 14.234 -1.197 1.00 0.00 C ATOM 958 C PRO A 59 -6.272 12.865 -0.525 1.00 0.00 C ATOM 959 O PRO A 59 -6.340 12.816 0.711 1.00 0.00 O ATOM 960 CB PRO A 59 -6.967 14.915 -2.118 1.00 0.00 C ATOM 961 CG PRO A 59 -6.153 15.725 -3.139 1.00 0.00 C ATOM 962 CD PRO A 59 -4.875 14.919 -3.338 1.00 0.00 C ATOM 0 HA PRO A 59 -5.749 14.744 -0.243 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.593 14.171 -2.610 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.631 15.558 -1.540 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.697 15.843 -4.076 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.936 16.727 -2.768 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.001 14.147 -4.097 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.047 15.551 -3.660 1.00 0.00 H new ATOM 970 N GLN A 60 -6.567 11.717 -1.103 1.00 0.00 N ATOM 971 CA GLN A 60 -6.439 11.371 -2.566 1.00 0.00 C ATOM 972 C GLN A 60 -7.435 10.208 -2.944 1.00 0.00 C ATOM 973 O GLN A 60 -7.858 9.442 -2.058 1.00 0.00 O ATOM 974 CB GLN A 60 -4.959 10.912 -2.856 1.00 0.00 C ATOM 975 CG GLN A 60 -4.606 10.584 -4.342 1.00 0.00 C ATOM 976 CD GLN A 60 -4.971 11.591 -5.422 1.00 0.00 C ATOM 977 OE1 GLN A 60 -6.102 11.995 -5.614 1.00 0.00 O ATOM 978 NE2 GLN A 60 -4.072 11.861 -6.329 1.00 0.00 N ATOM 0 H GLN A 60 -6.927 10.932 -0.560 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.683 12.248 -3.165 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.285 11.697 -2.511 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.753 10.027 -2.254 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.530 10.417 -4.396 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.088 9.640 -4.595 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.111 11.540 -6.206 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.330 12.393 -7.160 1.00 0.00 H new ATOM 987 N GLY A 61 -7.879 10.047 -4.218 1.00 0.00 N ATOM 988 CA GLY A 61 -8.446 8.749 -4.707 1.00 0.00 C ATOM 989 C GLY A 61 -7.445 7.603 -4.843 1.00 0.00 C ATOM 990 O GLY A 61 -7.389 6.729 -3.972 1.00 0.00 O ATOM 0 H GLY A 61 -7.859 10.785 -4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.237 8.438 -4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.911 8.919 -5.678 1.00 0.00 H new ATOM 994 N ASN A 62 -6.611 7.644 -5.885 1.00 0.00 N ATOM 995 CA ASN A 62 -5.613 6.551 -6.205 1.00 0.00 C ATOM 996 C ASN A 62 -4.687 6.159 -5.013 1.00 0.00 C ATOM 997 O ASN A 62 -4.715 5.020 -4.514 1.00 0.00 O ATOM 998 CB ASN A 62 -4.727 6.904 -7.424 1.00 0.00 C ATOM 999 CG ASN A 62 -5.434 7.468 -8.652 1.00 0.00 C ATOM 1000 OD1 ASN A 62 -5.185 8.620 -8.950 1.00 0.00 O ATOM 1001 ND2 ASN A 62 -6.246 6.816 -9.412 1.00 0.00 N ATOM 0 H ASN A 62 -6.587 8.421 -6.545 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.239 5.689 -6.437 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.979 7.628 -7.101 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.191 6.004 -7.725 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.654 7.269 -10.230 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.480 5.847 -9.196 1.00 0.00 H new ATOM 1008 N GLN A 63 -3.960 7.102 -4.399 1.00 0.00 N ATOM 1009 CA GLN A 63 -3.225 6.818 -3.090 1.00 0.00 C ATOM 1010 C GLN A 63 -4.101 6.455 -1.806 1.00 0.00 C ATOM 1011 O GLN A 63 -3.503 6.028 -0.812 1.00 0.00 O ATOM 1012 CB GLN A 63 -2.213 8.028 -2.887 1.00 0.00 C ATOM 1013 CG GLN A 63 -1.093 7.731 -1.875 1.00 0.00 C ATOM 1014 CD GLN A 63 -0.057 8.865 -1.612 1.00 0.00 C ATOM 1015 OE1 GLN A 63 -0.193 9.627 -0.682 1.00 0.00 O ATOM 1016 NE2 GLN A 63 0.887 8.991 -2.513 1.00 0.00 N ATOM 0 H GLN A 63 -3.846 8.053 -4.750 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.704 5.866 -3.190 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.765 8.281 -3.848 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.769 8.904 -2.554 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.557 7.469 -0.924 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.551 6.850 -2.219 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.956 8.319 -3.277 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.553 9.761 -2.450 1.00 0.00 H new ATOM 1025 N ALA A 64 -5.453 6.530 -1.827 1.00 0.00 N ATOM 1026 CA ALA A 64 -6.322 5.716 -0.900 1.00 0.00 C ATOM 1027 C ALA A 64 -6.727 4.261 -1.411 1.00 0.00 C ATOM 1028 O ALA A 64 -6.740 3.291 -0.656 1.00 0.00 O ATOM 1029 CB ALA A 64 -7.545 6.636 -0.575 1.00 0.00 C ATOM 0 H ALA A 64 -5.974 7.134 -2.462 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.757 5.452 -0.006 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.226 6.113 0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.195 7.551 -0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.068 6.886 -1.498 1.00 0.00 H new ATOM 1035 N HIS A 65 -6.944 4.066 -2.702 1.00 0.00 N ATOM 1036 CA HIS A 65 -7.387 2.759 -3.369 1.00 0.00 C ATOM 1037 C HIS A 65 -6.219 1.795 -3.733 1.00 0.00 C ATOM 1038 O HIS A 65 -6.192 0.626 -3.179 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 -6.823 4.819 -3.380 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.945 2.187 -2.628 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -7.948 3.892 -5.169 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -8.413 2.204 -5.234 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 0 HE2 HIS A 65 -11.864 5.614 -3.030 1.00 0.00 H new ATOM 1053 N GLN A 66 -5.249 2.298 -4.484 1.00 0.00 N ATOM 1054 CA GLN A 66 -4.449 1.562 -5.522 1.00 0.00 C ATOM 1055 C GLN A 66 -3.130 0.823 -4.995 1.00 0.00 C ATOM 1056 O GLN A 66 -2.439 1.276 -4.063 1.00 0.00 O ATOM 1057 CB GLN A 66 -4.071 2.680 -6.502 1.00 0.00 C ATOM 1058 CG GLN A 66 -3.434 2.327 -7.843 1.00 0.00 C ATOM 1059 CD GLN A 66 -2.372 3.288 -8.381 1.00 0.00 C ATOM 1060 OE1 GLN A 66 -2.558 3.991 -9.352 1.00 0.00 O ATOM 1061 NE2 GLN A 66 -1.227 3.374 -7.777 1.00 0.00 N ATOM 0 H GLN A 66 -4.965 3.274 -4.402 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.033 0.740 -5.936 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.977 3.249 -6.712 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.386 3.350 -5.983 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.983 1.339 -7.754 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.228 2.249 -8.586 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.038 2.797 -6.957 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.516 4.019 -8.122 1.00 0.00 H new ATOM 1070 N ASP A 67 -2.705 -0.291 -5.653 1.00 0.00 N ATOM 1071 CA ASP A 67 -1.282 -0.754 -5.656 1.00 0.00 C ATOM 1072 C ASP A 67 -0.350 -0.096 -6.744 1.00 0.00 C ATOM 1073 O ASP A 67 0.603 0.553 -6.321 1.00 0.00 O ATOM 1074 CB ASP A 67 -1.165 -2.317 -5.528 1.00 0.00 C ATOM 1075 CG ASP A 67 -0.566 -2.946 -4.264 1.00 0.00 C ATOM 1076 OD1 ASP A 67 -0.489 -2.246 -3.260 1.00 0.00 O ATOM 1077 OD2 ASP A 67 -0.170 -4.130 -4.277 1.00 0.00 O ATOM 0 H ASP A 67 -3.330 -0.890 -6.192 1.00 0.00 H new ATOM 0 HA ASP A 67 -0.851 -0.351 -4.740 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.168 -2.727 -5.649 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.574 -2.667 -6.374 1.00 0.00 H new ATOM 1082 N PRO A 68 -0.491 -0.248 -8.094 1.00 0.00 N ATOM 1083 CA PRO A 68 0.646 0.002 -9.018 1.00 0.00 C ATOM 1084 C PRO A 68 0.666 1.445 -9.683 1.00 0.00 C ATOM 1085 O PRO A 68 1.093 2.437 -9.085 1.00 0.00 O ATOM 1086 CB PRO A 68 0.490 -1.266 -9.948 1.00 0.00 C ATOM 1087 CG PRO A 68 -0.978 -1.597 -10.034 1.00 0.00 C ATOM 1088 CD PRO A 68 -1.516 -1.121 -8.703 1.00 0.00 C ATOM 0 HA PRO A 68 1.637 0.075 -8.569 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.895 -1.064 -10.940 1.00 0.00 H new ATOM 0 HB3 PRO A 68 1.048 -2.109 -9.541 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.458 -1.086 -10.869 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -1.143 -2.665 -10.177 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.450 -0.577 -8.840 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.733 -1.968 -8.052 1.00 0.00 H new ATOM 1096 N LEU A 69 0.261 1.530 -10.944 1.00 0.00 N ATOM 1097 CA LEU A 69 -0.046 2.809 -11.645 1.00 0.00 C ATOM 1098 C LEU A 69 -0.980 2.517 -12.862 1.00 0.00 C ATOM 1099 O LEU A 69 -1.805 3.403 -13.093 1.00 0.00 O ATOM 1100 CB LEU A 69 1.188 3.612 -12.190 1.00 0.00 C ATOM 1101 CG LEU A 69 2.221 4.286 -11.284 1.00 0.00 C ATOM 1102 CD1 LEU A 69 3.315 5.015 -12.092 1.00 0.00 C ATOM 1103 CD2 LEU A 69 1.526 5.365 -10.441 1.00 0.00 C ATOM 0 H LEU A 69 0.129 0.709 -11.534 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.506 3.432 -10.878 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.742 2.926 -12.831 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.786 4.395 -12.833 1.00 0.00 H new ATOM 0 HG LEU A 69 2.669 3.499 -10.677 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.025 5.478 -11.407 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.837 4.299 -12.727 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.857 5.784 -12.714 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.258 5.848 -9.794 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.077 6.108 -11.100 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.749 4.905 -9.830 1.00 0.00 H new ATOM 1115 N PRO A 70 -0.855 1.514 -13.786 1.00 0.00 N ATOM 1116 CA PRO A 70 -1.605 1.487 -15.085 1.00 0.00 C ATOM 1117 C PRO A 70 -2.893 0.599 -15.050 1.00 0.00 C ATOM 1118 O PRO A 70 -2.930 -0.376 -14.306 1.00 0.00 O ATOM 1119 CB PRO A 70 -0.555 0.909 -16.071 1.00 0.00 C ATOM 1120 CG PRO A 70 0.205 -0.097 -15.217 1.00 0.00 C ATOM 1121 CD PRO A 70 0.279 0.588 -13.857 1.00 0.00 C ATOM 0 HA PRO A 70 -1.983 2.473 -15.356 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -1.028 0.433 -16.930 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.103 1.686 -16.460 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.317 -1.052 -15.159 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.197 -0.300 -15.620 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.230 -0.145 -13.052 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.222 1.123 -13.744 1.00 0.00 H new ATOM 1129 N GLU A 71 -3.900 0.929 -15.849 1.00 0.00 N ATOM 1130 CA GLU A 71 -5.222 0.265 -15.948 1.00 0.00 C ATOM 1131 C GLU A 71 -5.216 -1.119 -16.678 1.00 0.00 C ATOM 1132 O GLU A 71 -5.719 -1.294 -17.768 1.00 0.00 O ATOM 1133 CB GLU A 71 -6.163 1.370 -16.556 1.00 0.00 C ATOM 1134 CG GLU A 71 -5.832 2.028 -17.951 1.00 0.00 C ATOM 1135 CD GLU A 71 -5.091 3.344 -17.809 1.00 0.00 C ATOM 1136 OE1 GLU A 71 -3.909 3.378 -17.414 1.00 0.00 O ATOM 1137 OE2 GLU A 71 -5.728 4.398 -17.972 1.00 0.00 O ATOM 0 H GLU A 71 -3.824 1.717 -16.492 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.590 -0.063 -14.976 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.160 0.936 -16.634 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.223 2.177 -15.826 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.230 1.337 -18.542 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.759 2.194 -18.501 1.00 0.00 H new ATOM 1144 N GLN A 72 -4.595 -2.108 -16.070 1.00 0.00 N ATOM 1145 CA GLN A 72 -4.243 -3.415 -16.710 1.00 0.00 C ATOM 1146 C GLN A 72 -4.280 -4.527 -15.603 1.00 0.00 C ATOM 1147 O GLN A 72 -3.237 -4.888 -15.072 1.00 0.00 O ATOM 1148 CB GLN A 72 -2.866 -3.317 -17.439 1.00 0.00 C ATOM 1149 CG GLN A 72 -2.832 -2.663 -18.859 1.00 0.00 C ATOM 1150 CD GLN A 72 -1.417 -2.501 -19.430 1.00 0.00 C ATOM 1151 OE1 GLN A 72 -0.458 -3.137 -18.979 1.00 0.00 O ATOM 1152 NE2 GLN A 72 -1.194 -1.672 -20.404 1.00 0.00 N ATOM 0 H GLN A 72 -4.303 -2.051 -15.094 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.966 -3.678 -17.482 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.187 -2.756 -16.797 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.462 -4.326 -17.526 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.423 -3.271 -19.544 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.309 -1.684 -18.810 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.963 -1.131 -20.800 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.250 -1.562 -20.774 1.00 0.00 H new ATOM 1161 N PRO A 73 -5.470 -5.119 -15.255 1.00 0.00 N ATOM 1162 CA PRO A 73 -5.664 -5.938 -14.034 1.00 0.00 C ATOM 1163 C PRO A 73 -5.158 -7.439 -13.970 1.00 0.00 C ATOM 1164 O PRO A 73 -5.936 -8.411 -14.068 1.00 0.00 O ATOM 1165 CB PRO A 73 -7.145 -5.780 -13.658 1.00 0.00 C ATOM 1166 CG PRO A 73 -7.830 -5.466 -14.966 1.00 0.00 C ATOM 1167 CD PRO A 73 -6.776 -4.691 -15.758 1.00 0.00 C ATOM 0 HA PRO A 73 -4.963 -5.540 -13.300 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.541 -6.691 -13.210 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.288 -4.980 -12.932 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.132 -6.375 -15.487 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.731 -4.872 -14.812 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.866 -4.896 -16.825 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.907 -3.617 -15.628 1.00 0.00 H new ATOM 1175 N SER A 74 -3.826 -7.564 -13.814 1.00 0.00 N ATOM 1176 CA SER A 74 -3.204 -8.852 -13.398 1.00 0.00 C ATOM 1177 C SER A 74 -2.191 -8.637 -12.207 1.00 0.00 C ATOM 1178 O SER A 74 -2.543 -8.043 -11.190 1.00 0.00 O ATOM 1179 CB SER A 74 -2.635 -9.573 -14.696 1.00 0.00 C ATOM 1180 OG SER A 74 -2.068 -10.866 -14.415 1.00 0.00 O ATOM 0 H SER A 74 -3.162 -6.805 -13.965 1.00 0.00 H new ATOM 0 HA SER A 74 -3.934 -9.539 -12.970 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.438 -9.684 -15.425 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.875 -8.940 -15.153 1.00 0.00 H new ATOM 0 HG SER A 74 -1.735 -11.265 -15.246 1.00 0.00 H new ATOM 1186 N SER A 75 -0.927 -9.150 -12.301 1.00 0.00 N ATOM 1187 CA SER A 75 0.075 -9.128 -11.188 1.00 0.00 C ATOM 1188 C SER A 75 1.529 -8.678 -11.590 1.00 0.00 C ATOM 1189 O SER A 75 1.988 -8.830 -12.716 1.00 0.00 O ATOM 1190 CB SER A 75 0.095 -10.511 -10.505 1.00 0.00 C ATOM 1191 OG SER A 75 0.639 -11.527 -11.356 1.00 0.00 O ATOM 0 H SER A 75 -0.574 -9.590 -13.151 1.00 0.00 H new ATOM 0 HA SER A 75 -0.257 -8.352 -10.498 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.683 -10.453 -9.589 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.919 -10.786 -10.216 1.00 0.00 H new ATOM 0 HG SER A 75 0.635 -12.386 -10.884 1.00 0.00 H new ATOM 1197 N GLN A 76 2.266 -8.044 -10.650 1.00 0.00 N ATOM 1198 CA GLN A 76 3.631 -7.440 -10.849 1.00 0.00 C ATOM 1199 C GLN A 76 3.620 -6.078 -11.592 1.00 0.00 C ATOM 1200 O GLN A 76 3.880 -6.041 -12.783 1.00 0.00 O ATOM 1201 CB GLN A 76 4.822 -8.404 -11.204 1.00 0.00 C ATOM 1202 CG GLN A 76 6.246 -7.832 -11.037 1.00 0.00 C ATOM 1203 CD GLN A 76 7.400 -8.802 -10.668 1.00 0.00 C ATOM 1204 OE1 GLN A 76 7.835 -8.822 -9.537 1.00 0.00 O ATOM 1205 NE2 GLN A 76 7.923 -9.588 -11.575 1.00 0.00 N ATOM 0 H GLN A 76 1.928 -7.927 -9.695 1.00 0.00 H new ATOM 0 HA GLN A 76 3.911 -7.196 -9.824 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.737 -9.294 -10.581 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.703 -8.726 -12.239 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.515 -7.338 -11.970 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.204 -7.060 -10.268 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.562 -9.577 -12.529 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.691 -10.212 -11.328 1.00 0.00 H new ATOM 1214 N HIS A 77 3.270 -4.953 -10.934 1.00 0.00 N ATOM 1215 CA HIS A 77 2.915 -3.618 -11.543 1.00 0.00 C ATOM 1216 C HIS A 77 1.750 -3.661 -12.601 1.00 0.00 C ATOM 1217 O HIS A 77 1.898 -3.184 -13.733 1.00 0.00 O ATOM 1218 CB HIS A 77 4.214 -2.902 -12.044 1.00 0.00 C ATOM 1219 CG HIS A 77 4.099 -1.447 -12.389 1.00 0.00 C ATOM 1220 ND1 HIS A 77 3.996 -0.431 -11.446 1.00 0.00 N ATOM 1221 CD2 HIS A 77 4.040 -0.906 -13.668 1.00 0.00 C ATOM 1222 CE1 HIS A 77 3.965 0.701 -12.251 1.00 0.00 C ATOM 1223 NE2 HIS A 77 3.921 0.492 -13.631 1.00 0.00 N ATOM 0 H HIS A 77 3.220 -4.931 -9.915 1.00 0.00 H new ATOM 0 HA HIS A 77 2.479 -3.008 -10.752 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.978 -3.008 -11.274 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.574 -3.432 -12.926 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.081 -1.488 -14.577 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.974 1.695 -11.829 1.00 0.00 H new ATOM 0 HE2 HIS A 77 3.829 1.163 -14.394 1.00 0.00 H new ATOM 1232 N ARG A 78 0.621 -4.276 -12.235 1.00 0.00 N ATOM 1233 CA ARG A 78 -0.545 -4.475 -13.167 1.00 0.00 C ATOM 1234 C ARG A 78 -1.902 -4.197 -12.392 1.00 0.00 C ATOM 1235 O ARG A 78 -2.444 -3.104 -12.558 1.00 0.00 O ATOM 1236 CB ARG A 78 -0.432 -5.908 -13.759 1.00 0.00 C ATOM 1237 CG ARG A 78 0.684 -6.271 -14.754 1.00 0.00 C ATOM 1238 CD ARG A 78 0.375 -5.799 -16.198 1.00 0.00 C ATOM 1239 NE ARG A 78 1.424 -6.424 -17.102 1.00 0.00 N ATOM 1240 CZ ARG A 78 1.379 -6.513 -18.410 1.00 0.00 C ATOM 1241 NH1 ARG A 78 0.557 -5.740 -19.117 1.00 0.00 N ATOM 1242 NH2 ARG A 78 2.237 -7.292 -18.985 1.00 0.00 N ATOM 0 H ARG A 78 0.468 -4.654 -11.300 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.536 -3.771 -13.999 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.344 -6.595 -12.917 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.380 -6.126 -14.250 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.621 -5.823 -14.422 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.829 -7.351 -14.752 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.626 -6.107 -16.499 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.407 -4.711 -16.264 1.00 0.00 H new ATOM 0 HE ARG A 78 2.248 -6.815 -16.645 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.047 -5.069 -18.642 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.531 -5.819 -20.134 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.914 -7.808 -18.423 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.236 -7.390 -20.000 1.00 0.00 H new ATOM 1256 N GLY A 79 -2.363 -5.072 -11.469 1.00 0.00 N ATOM 1257 CA GLY A 79 -3.479 -4.760 -10.509 1.00 0.00 C ATOM 1258 C GLY A 79 -3.217 -5.410 -9.113 1.00 0.00 C ATOM 1259 O GLY A 79 -3.852 -6.397 -8.746 1.00 0.00 O ATOM 0 H GLY A 79 -1.983 -6.012 -11.358 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.577 -3.680 -10.398 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.423 -5.126 -10.913 1.00 0.00 H new ATOM 1263 N ASP A 80 -2.323 -4.765 -8.350 1.00 0.00 N ATOM 1264 CA ASP A 80 -1.536 -5.494 -7.290 1.00 0.00 C ATOM 1265 C ASP A 80 -2.279 -6.085 -6.052 1.00 0.00 C ATOM 1266 O ASP A 80 -1.766 -6.947 -5.350 1.00 0.00 O ATOM 1267 CB ASP A 80 -0.447 -6.380 -7.978 1.00 0.00 C ATOM 1268 CG ASP A 80 0.811 -5.710 -8.461 1.00 0.00 C ATOM 1269 OD1 ASP A 80 0.711 -4.702 -9.183 1.00 0.00 O ATOM 1270 OD2 ASP A 80 1.917 -6.151 -8.116 1.00 0.00 O ATOM 0 H ASP A 80 -2.115 -3.769 -8.426 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.033 -4.723 -6.707 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.160 -7.161 -7.274 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.910 -6.875 -8.832 1.00 0.00 H new ATOM 1275 N HIS A 81 -3.424 -5.455 -5.651 1.00 0.00 N ATOM 1276 CA HIS A 81 -4.097 -5.688 -4.327 1.00 0.00 C ATOM 1277 C HIS A 81 -5.644 -5.332 -4.178 1.00 0.00 C ATOM 1278 O HIS A 81 -6.270 -6.107 -3.449 1.00 0.00 O ATOM 1279 CB HIS A 81 -3.306 -5.148 -3.123 1.00 0.00 C ATOM 1280 CG HIS A 81 -3.798 -3.804 -2.674 1.00 0.00 C ATOM 1281 ND1 HIS A 81 -4.053 -2.712 -3.499 1.00 0.00 N ATOM 1282 CD2 HIS A 81 -3.591 -3.410 -1.359 1.00 0.00 C ATOM 1283 CE1 HIS A 81 -3.984 -1.718 -2.593 1.00 0.00 C ATOM 1284 NE2 HIS A 81 -3.710 -2.046 -1.302 1.00 0.00 N ATOM 0 H HIS A 81 -3.908 -4.772 -6.233 1.00 0.00 H new ATOM 0 HA HIS A 81 -4.084 -6.778 -4.320 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -3.380 -5.854 -2.296 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -2.251 -5.076 -3.387 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -3.374 -4.064 -0.527 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -4.142 -0.690 -2.883 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -3.616 -1.431 -0.494 1.00 0.00 H new ATOM 1293 N PRO A 82 -6.319 -4.312 -4.784 1.00 0.00 N ATOM 1294 CA PRO A 82 -7.821 -4.191 -4.787 1.00 0.00 C ATOM 1295 C PRO A 82 -8.521 -5.047 -5.939 1.00 0.00 C ATOM 1296 O PRO A 82 -7.873 -5.694 -6.740 1.00 0.00 O ATOM 1297 CB PRO A 82 -7.904 -2.643 -4.951 1.00 0.00 C ATOM 1298 CG PRO A 82 -6.515 -2.122 -5.393 1.00 0.00 C ATOM 1299 CD PRO A 82 -5.725 -3.375 -5.781 1.00 0.00 C ATOM 0 HA PRO A 82 -8.352 -4.587 -3.921 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.660 -2.380 -5.691 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.202 -2.178 -4.011 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.601 -1.434 -6.234 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.022 -1.579 -4.586 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -5.898 -3.685 -6.812 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.648 -3.253 -5.661 1.00 0.00 H new ATOM 1307 N THR A 83 -9.840 -4.944 -6.111 1.00 0.00 N ATOM 1308 CA THR A 83 -10.442 -4.853 -7.500 1.00 0.00 C ATOM 1309 C THR A 83 -10.265 -3.392 -8.024 1.00 0.00 C ATOM 1310 O THR A 83 -11.103 -2.510 -7.788 1.00 0.00 O ATOM 1311 CB THR A 83 -11.906 -5.300 -7.432 1.00 0.00 C ATOM 1312 OG1 THR A 83 -12.073 -6.591 -6.888 1.00 0.00 O ATOM 1313 CG2 THR A 83 -12.648 -5.209 -8.791 1.00 0.00 C ATOM 0 H THR A 83 -10.518 -4.920 -5.350 1.00 0.00 H new ATOM 0 HA THR A 83 -9.939 -5.513 -8.207 1.00 0.00 H new ATOM 0 HB THR A 83 -12.362 -4.581 -6.751 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.026 -6.817 -6.870 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.679 -5.541 -8.666 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.640 -4.177 -9.142 1.00 0.00 H new ATOM 0 HG23 THR A 83 -12.148 -5.845 -9.522 1.00 0.00 H new ATOM 1321 N GLY A 84 -9.121 -3.166 -8.705 1.00 0.00 N ATOM 1322 CA GLY A 84 -8.575 -1.755 -8.883 1.00 0.00 C ATOM 1323 C GLY A 84 -7.118 -1.681 -9.464 1.00 0.00 C ATOM 1324 O GLY A 84 -6.161 -1.698 -8.680 1.00 0.00 O ATOM 0 H GLY A 84 -8.556 -3.898 -9.136 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.243 -1.203 -9.544 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.592 -1.249 -7.917 1.00 0.00 H new ATOM 1328 N PRO A 85 -6.859 -1.601 -10.767 1.00 0.00 N ATOM 1329 CA PRO A 85 -5.534 -1.265 -11.316 1.00 0.00 C ATOM 1330 C PRO A 85 -5.107 0.275 -11.186 1.00 0.00 C ATOM 1331 O PRO A 85 -3.925 0.564 -11.149 1.00 0.00 O ATOM 1332 CB PRO A 85 -5.723 -1.830 -12.732 1.00 0.00 C ATOM 1333 CG PRO A 85 -7.155 -1.491 -13.143 1.00 0.00 C ATOM 1334 CD PRO A 85 -7.900 -1.753 -11.848 1.00 0.00 C ATOM 0 HA PRO A 85 -4.676 -1.678 -10.785 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -5.006 -1.390 -13.425 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.560 -2.908 -12.745 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -7.255 -0.457 -13.474 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.510 -2.122 -13.958 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -8.718 -1.045 -11.712 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.337 -2.751 -11.838 1.00 0.00 H new ATOM 1342 N LYS A 86 -6.037 1.234 -11.177 1.00 0.00 N ATOM 1343 CA LYS A 86 -5.732 2.669 -11.288 1.00 0.00 C ATOM 1344 C LYS A 86 -6.834 3.512 -10.574 1.00 0.00 C ATOM 1345 O LYS A 86 -7.798 3.973 -11.215 1.00 0.00 O ATOM 1346 CB LYS A 86 -5.661 2.984 -12.795 1.00 0.00 C ATOM 1347 CG LYS A 86 -5.010 4.380 -13.080 1.00 0.00 C ATOM 1348 CD LYS A 86 -4.859 4.655 -14.552 1.00 0.00 C ATOM 1349 CE LYS A 86 -4.271 6.006 -14.950 1.00 0.00 C ATOM 1350 NZ LYS A 86 -4.246 6.091 -16.447 1.00 0.00 N ATOM 0 H LYS A 86 -7.034 1.037 -11.092 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.788 2.920 -10.804 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.086 2.208 -13.300 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.666 2.961 -13.217 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.621 5.161 -12.628 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.031 4.425 -12.603 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.231 3.873 -14.979 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.841 4.564 -15.016 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.869 6.817 -14.534 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.264 6.114 -14.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.212 7.089 -16.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.406 5.597 -16.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.103 5.646 -16.834 1.00 0.00 H new ATOM 1364 N GLU A 87 -6.729 3.632 -9.218 1.00 0.00 N ATOM 1365 CA GLU A 87 -7.882 3.701 -8.272 1.00 0.00 C ATOM 1366 C GLU A 87 -8.014 2.175 -7.853 1.00 0.00 C ATOM 1367 O GLU A 87 -8.985 1.468 -8.186 1.00 0.00 O ATOM 1368 CB GLU A 87 -9.140 4.505 -8.703 1.00 0.00 C ATOM 1369 CG GLU A 87 -10.054 5.116 -7.551 1.00 0.00 C ATOM 1370 CD GLU A 87 -10.064 6.614 -7.062 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -9.284 7.493 -7.463 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -10.910 6.944 -6.207 1.00 0.00 O ATOM 1373 OXT GLU A 87 -7.120 1.711 -7.111 1.00 0.00 O ATOM 0 H GLU A 87 -5.827 3.684 -8.745 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.722 4.352 -7.412 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.812 5.325 -9.342 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.762 3.852 -9.315 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.081 4.898 -7.845 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.843 4.520 -6.663 1.00 0.00 H new TER 1380 GLU A 87