USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 670 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 72 GLN :FLIP amide:sc= -5.76! C(o=-6.4!,f=-5.1!) USER MOD Set 1.2: A 74 SER OG : rot -58:sc= 0.698 USER MOD Set 2.1: A 64 THR OG1 : rot -57:sc= 0.331 USER MOD Set 2.2: A 76 GLN : amide:sc= -2.86 K(o=-1.9,f=-8.2!) USER MOD Set 2.3: A 85 LYS NZ :NH3+ -107:sc= 0.659 (180deg=-0.545) USER MOD Set 3.1: A 63 GLN :FLIP amide:sc= -1.94! C(o=-19!,f=-19!) USER MOD Set 3.2: A 65 HIS : no HE2:sc= -16.6! C(o=-19!,f=-20!) USER MOD Set 4.1: A 40 THR OG1 : rot -171:sc= 1.57 USER MOD Set 4.2: A 47 TYR OH : rot 143:sc= 0.304 USER MOD Single : A 1 LEU N :NH3+ 133:sc= -0.1 (180deg=-0.935) USER MOD Single : A 7 ASN : amide:sc= -0.47 K(o=-0.47,f=-1.5) USER MOD Single : A 12 ASN :FLIP amide:sc= -1.35 F(o=-2.5!,f=-1.3) USER MOD Single : A 13 HIS : no HD1:sc= -0.327 X(o=-0.33,f=-0.36) USER MOD Single : A 16 SER OG : rot 180:sc= -0.114 USER MOD Single : A 17 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.03) USER MOD Single : A 19 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.258) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.0534 USER MOD Single : A 23 ASN :FLIP amide:sc= -1.09 F(o=-2.7!,f=-1.1) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -11! C(o=-11!,f=-11!) USER MOD Single : A 27 CYS SG : rot 180:sc= -5.17! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.324) USER MOD Single : A 30 CYS SG : rot 180:sc= -0.0619 USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 24:sc= 1.23 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot 0:sc= -1.78 USER MOD Single : A 35 GLN :FLIP amide:sc= 0.985 F(o=-3.7,f=0.98) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -128:sc= -0.894 (180deg=-1.27!) USER MOD Single : A 46 SER OG : rot -54:sc= 0.00602 USER MOD Single : A 50 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0288) USER MOD Single : A 51 LYS NZ :NH3+ 160:sc= -0.723 (180deg=-1.03) USER MOD Single : A 54 GLN : amide:sc= -2.94 K(o=-2.9,f=-4.6!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN :FLIP amide:sc= -2.9 F(o=-4.9,f=-2.9) USER MOD Single : A 66 GLN :FLIP amide:sc= -4.37! C(o=-7!,f=-4.4!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 71:sc= 0.0502 USER MOD Single : A 82 THR OG1 : rot -90:sc= -3.5! USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 14.201 -10.127 0.282 1.00 0.00 N ATOM 2 CA LEU A 1 13.324 -8.974 0.660 1.00 0.00 C ATOM 3 C LEU A 1 14.051 -7.642 0.432 1.00 0.00 C ATOM 4 O LEU A 1 15.224 -7.613 0.106 1.00 0.00 O ATOM 5 CB LEU A 1 12.995 -9.175 2.149 1.00 0.00 C ATOM 6 CG LEU A 1 14.266 -9.069 3.001 1.00 0.00 C ATOM 7 CD1 LEU A 1 14.302 -7.764 3.803 1.00 0.00 C ATOM 8 CD2 LEU A 1 14.393 -10.278 3.934 1.00 0.00 C ATOM 0 H1 LEU A 1 14.173 -10.845 1.034 1.00 0.00 H new ATOM 0 H2 LEU A 1 13.861 -10.544 -0.608 1.00 0.00 H new ATOM 0 H3 LEU A 1 15.178 -9.794 0.157 1.00 0.00 H new ATOM 0 HA LEU A 1 12.419 -8.939 0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 1 12.271 -8.427 2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 1 12.532 -10.151 2.296 1.00 0.00 H new ATOM 0 HG LEU A 1 15.118 -9.062 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 1 15.217 -7.725 4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 1 14.276 -6.916 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 1 13.439 -7.721 4.467 1.00 0.00 H new ATOM 0 HD21 LEU A 1 15.301 -10.184 4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 1 13.528 -10.320 4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 1 14.441 -11.192 3.341 1.00 0.00 H new ATOM 22 N ASP A 2 13.352 -6.543 0.600 1.00 0.00 N ATOM 23 CA ASP A 2 13.968 -5.191 0.395 1.00 0.00 C ATOM 24 C ASP A 2 14.740 -5.131 -0.939 1.00 0.00 C ATOM 25 O ASP A 2 15.935 -4.900 -0.954 1.00 0.00 O ATOM 26 CB ASP A 2 14.911 -4.999 1.587 1.00 0.00 C ATOM 27 CG ASP A 2 14.897 -3.532 2.029 1.00 0.00 C ATOM 28 OD1 ASP A 2 13.886 -3.102 2.552 1.00 0.00 O ATOM 29 OD2 ASP A 2 15.900 -2.867 1.841 1.00 0.00 O ATOM 0 H ASP A 2 12.370 -6.525 0.874 1.00 0.00 H new ATOM 0 HA ASP A 2 13.215 -4.404 0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 2 14.603 -5.640 2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 2 15.923 -5.296 1.313 1.00 0.00 H new ATOM 34 N PRO A 3 14.019 -5.330 -2.021 1.00 0.00 N ATOM 35 CA PRO A 3 14.623 -5.286 -3.367 1.00 0.00 C ATOM 36 C PRO A 3 14.570 -3.837 -3.886 1.00 0.00 C ATOM 37 O PRO A 3 15.464 -3.054 -3.630 1.00 0.00 O ATOM 38 CB PRO A 3 13.730 -6.225 -4.176 1.00 0.00 C ATOM 39 CG PRO A 3 12.403 -6.230 -3.464 1.00 0.00 C ATOM 40 CD PRO A 3 12.586 -5.606 -2.095 1.00 0.00 C ATOM 0 HA PRO A 3 15.669 -5.588 -3.413 1.00 0.00 H new ATOM 0 HB2 PRO A 3 13.623 -5.877 -5.203 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.155 -7.228 -4.222 1.00 0.00 H new ATOM 0 HG2 PRO A 3 11.664 -5.672 -4.038 1.00 0.00 H new ATOM 0 HG3 PRO A 3 12.029 -7.249 -3.368 1.00 0.00 H new ATOM 0 HD2 PRO A 3 11.998 -4.694 -1.990 1.00 0.00 H new ATOM 0 HD3 PRO A 3 12.268 -6.283 -1.302 1.00 0.00 H new ATOM 48 N VAL A 4 13.505 -3.461 -4.563 1.00 0.00 N ATOM 49 CA VAL A 4 13.369 -2.050 -5.039 1.00 0.00 C ATOM 50 C VAL A 4 13.084 -1.185 -3.808 1.00 0.00 C ATOM 51 O VAL A 4 13.848 -0.313 -3.444 1.00 0.00 O ATOM 52 CB VAL A 4 12.163 -2.070 -5.989 1.00 0.00 C ATOM 53 CG1 VAL A 4 11.628 -0.667 -6.297 1.00 0.00 C ATOM 54 CG2 VAL A 4 12.580 -2.692 -7.324 1.00 0.00 C ATOM 0 H VAL A 4 12.726 -4.074 -4.804 1.00 0.00 H new ATOM 0 HA VAL A 4 14.252 -1.657 -5.544 1.00 0.00 H new ATOM 0 HB VAL A 4 11.383 -2.644 -5.489 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.776 -0.743 -6.973 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.314 -0.186 -5.371 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.412 -0.074 -6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.726 -2.708 -8.001 1.00 0.00 H new ATOM 0 HG22 VAL A 4 13.382 -2.101 -7.766 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.929 -3.711 -7.157 1.00 0.00 H new ATOM 64 N ASP A 5 12.003 -1.490 -3.144 1.00 0.00 N ATOM 65 CA ASP A 5 11.621 -0.790 -1.887 1.00 0.00 C ATOM 66 C ASP A 5 10.902 -1.840 -1.021 1.00 0.00 C ATOM 67 O ASP A 5 11.498 -2.363 -0.100 1.00 0.00 O ATOM 68 CB ASP A 5 10.721 0.384 -2.298 1.00 0.00 C ATOM 69 CG ASP A 5 11.575 1.568 -2.769 1.00 0.00 C ATOM 70 OD1 ASP A 5 12.439 1.992 -2.018 1.00 0.00 O ATOM 71 OD2 ASP A 5 11.348 2.032 -3.873 1.00 0.00 O ATOM 0 H ASP A 5 11.349 -2.219 -3.431 1.00 0.00 H new ATOM 0 HA ASP A 5 12.454 -0.385 -1.312 1.00 0.00 H new ATOM 0 HB2 ASP A 5 10.047 0.073 -3.096 1.00 0.00 H new ATOM 0 HB3 ASP A 5 10.099 0.687 -1.456 1.00 0.00 H new ATOM 76 N PRO A 6 9.683 -2.199 -1.393 1.00 0.00 N ATOM 77 CA PRO A 6 8.969 -3.273 -0.689 1.00 0.00 C ATOM 78 C PRO A 6 9.234 -4.570 -1.470 1.00 0.00 C ATOM 79 O PRO A 6 10.040 -4.579 -2.382 1.00 0.00 O ATOM 80 CB PRO A 6 7.510 -2.851 -0.789 1.00 0.00 C ATOM 81 CG PRO A 6 7.437 -1.973 -2.009 1.00 0.00 C ATOM 82 CD PRO A 6 8.847 -1.660 -2.469 1.00 0.00 C ATOM 0 HA PRO A 6 9.265 -3.435 0.348 1.00 0.00 H new ATOM 0 HB2 PRO A 6 6.855 -3.717 -0.887 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.194 -2.312 0.104 1.00 0.00 H new ATOM 0 HG2 PRO A 6 6.883 -2.475 -2.803 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.901 -1.052 -1.780 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.071 -2.131 -3.426 1.00 0.00 H new ATOM 0 HD3 PRO A 6 8.999 -0.588 -2.598 1.00 0.00 H new ATOM 90 N ASN A 7 8.585 -5.655 -1.156 1.00 0.00 N ATOM 91 CA ASN A 7 8.859 -6.912 -1.927 1.00 0.00 C ATOM 92 C ASN A 7 8.246 -6.839 -3.332 1.00 0.00 C ATOM 93 O ASN A 7 8.908 -7.115 -4.314 1.00 0.00 O ATOM 94 CB ASN A 7 8.223 -8.043 -1.115 1.00 0.00 C ATOM 95 CG ASN A 7 9.134 -8.394 0.064 1.00 0.00 C ATOM 96 OD1 ASN A 7 9.901 -9.333 -0.004 1.00 0.00 O ATOM 97 ND2 ASN A 7 9.079 -7.673 1.151 1.00 0.00 N ATOM 0 H ASN A 7 7.889 -5.733 -0.415 1.00 0.00 H new ATOM 0 HA ASN A 7 9.929 -7.069 -2.065 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.241 -7.738 -0.753 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.072 -8.919 -1.746 1.00 0.00 H new ATOM 0 HD21 ASN A 7 9.680 -7.898 1.943 1.00 0.00 H new ATOM 0 HD22 ASN A 7 8.435 -6.884 1.208 1.00 0.00 H new ATOM 104 N ILE A 8 6.994 -6.469 -3.437 1.00 0.00 N ATOM 105 CA ILE A 8 6.345 -6.377 -4.787 1.00 0.00 C ATOM 106 C ILE A 8 5.543 -5.071 -4.931 1.00 0.00 C ATOM 107 O ILE A 8 4.764 -4.922 -5.854 1.00 0.00 O ATOM 108 CB ILE A 8 5.411 -7.603 -4.903 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.163 -7.431 -4.012 1.00 0.00 C ATOM 110 CG2 ILE A 8 6.164 -8.886 -4.520 1.00 0.00 C ATOM 111 CD1 ILE A 8 4.515 -7.561 -2.524 1.00 0.00 C ATOM 0 H ILE A 8 6.392 -6.227 -2.650 1.00 0.00 H new ATOM 0 HA ILE A 8 7.095 -6.370 -5.578 1.00 0.00 H new ATOM 0 HB ILE A 8 5.083 -7.683 -5.939 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.714 -6.455 -4.197 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.418 -8.181 -4.278 1.00 0.00 H new ATOM 0 HG21 ILE A 8 5.493 -9.741 -4.606 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.014 -9.022 -5.189 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.520 -8.806 -3.493 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.613 -7.435 -1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.941 -8.546 -2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.241 -6.794 -2.254 1.00 0.00 H new ATOM 123 N GLU A 9 5.724 -4.130 -4.026 1.00 0.00 N ATOM 124 CA GLU A 9 4.968 -2.834 -4.101 1.00 0.00 C ATOM 125 C GLU A 9 3.463 -3.105 -4.239 1.00 0.00 C ATOM 126 O GLU A 9 2.870 -2.754 -5.233 1.00 0.00 O ATOM 127 CB GLU A 9 5.504 -2.114 -5.347 1.00 0.00 C ATOM 128 CG GLU A 9 6.987 -1.781 -5.157 1.00 0.00 C ATOM 129 CD GLU A 9 7.596 -1.277 -6.472 1.00 0.00 C ATOM 130 OE1 GLU A 9 7.231 -1.791 -7.518 1.00 0.00 O ATOM 131 OE2 GLU A 9 8.429 -0.389 -6.408 1.00 0.00 O ATOM 0 H GLU A 9 6.366 -4.206 -3.237 1.00 0.00 H new ATOM 0 HA GLU A 9 5.103 -2.232 -3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.373 -2.744 -6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.936 -1.200 -5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.099 -1.022 -4.383 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.524 -2.666 -4.816 1.00 0.00 H new ATOM 138 N PRO A 10 2.899 -3.739 -3.233 1.00 0.00 N ATOM 139 CA PRO A 10 1.452 -4.074 -3.251 1.00 0.00 C ATOM 140 C PRO A 10 0.597 -2.905 -2.754 1.00 0.00 C ATOM 141 O PRO A 10 -0.316 -3.084 -1.967 1.00 0.00 O ATOM 142 CB PRO A 10 1.343 -5.227 -2.269 1.00 0.00 C ATOM 143 CG PRO A 10 2.496 -5.042 -1.327 1.00 0.00 C ATOM 144 CD PRO A 10 3.551 -4.203 -2.007 1.00 0.00 C ATOM 0 HA PRO A 10 1.101 -4.309 -4.256 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.391 -5.205 -1.738 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.401 -6.188 -2.780 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.160 -4.556 -0.411 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.909 -6.009 -1.042 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.862 -3.368 -1.380 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.445 -4.787 -2.227 1.00 0.00 H new ATOM 152 N TRP A 11 0.860 -1.720 -3.210 1.00 0.00 N ATOM 153 CA TRP A 11 0.036 -0.569 -2.764 1.00 0.00 C ATOM 154 C TRP A 11 -0.862 -0.122 -3.926 1.00 0.00 C ATOM 155 O TRP A 11 -1.299 1.009 -3.998 1.00 0.00 O ATOM 156 CB TRP A 11 1.042 0.520 -2.386 1.00 0.00 C ATOM 157 CG TRP A 11 1.827 0.114 -1.179 1.00 0.00 C ATOM 158 CD1 TRP A 11 2.917 -0.688 -1.195 1.00 0.00 C ATOM 159 CD2 TRP A 11 1.611 0.486 0.212 1.00 0.00 C ATOM 160 NE1 TRP A 11 3.382 -0.832 0.100 1.00 0.00 N ATOM 161 CE2 TRP A 11 2.611 -0.125 1.001 1.00 0.00 C ATOM 162 CE3 TRP A 11 0.656 1.289 0.859 1.00 0.00 C ATOM 163 CZ2 TRP A 11 2.657 0.053 2.383 1.00 0.00 C ATOM 164 CZ3 TRP A 11 0.702 1.468 2.247 1.00 0.00 C ATOM 165 CH2 TRP A 11 1.700 0.853 3.006 1.00 0.00 C ATOM 0 H TRP A 11 1.606 -1.497 -3.869 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.616 -0.805 -1.923 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.718 0.704 -3.221 1.00 0.00 H new ATOM 0 HB3 TRP A 11 0.517 1.455 -2.188 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.352 -1.141 -2.074 1.00 0.00 H new ATOM 0 HE1 TRP A 11 4.195 -1.392 0.358 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.119 1.771 0.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 3.429 -0.426 2.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -0.039 2.085 2.733 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.731 0.997 4.076 1.00 0.00 H new ATOM 176 N ASN A 12 -1.147 -1.022 -4.831 1.00 0.00 N ATOM 177 CA ASN A 12 -2.011 -0.683 -5.996 1.00 0.00 C ATOM 178 C ASN A 12 -3.355 -1.398 -5.873 1.00 0.00 C ATOM 179 O ASN A 12 -3.428 -2.611 -5.813 1.00 0.00 O ATOM 180 CB ASN A 12 -1.241 -1.132 -7.252 1.00 0.00 C ATOM 181 CG ASN A 12 -0.464 -2.427 -7.001 1.00 0.00 C ATOM 182 OD1 ASN A 12 0.674 -2.378 -6.363 1.00 0.00 O flip ATOM 183 ND2 ASN A 12 -0.896 -3.494 -7.390 1.00 0.00 N flip ATOM 0 H ASN A 12 -0.814 -1.986 -4.811 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.227 0.384 -6.047 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.940 -1.280 -8.075 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.551 -0.346 -7.557 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.785 -3.533 -7.889 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.370 -4.351 -7.218 1.00 0.00 H new ATOM 190 N HIS A 13 -4.417 -0.639 -5.813 1.00 0.00 N ATOM 191 CA HIS A 13 -5.774 -1.238 -5.668 1.00 0.00 C ATOM 192 C HIS A 13 -6.665 -0.850 -6.856 1.00 0.00 C ATOM 193 O HIS A 13 -6.975 0.313 -7.038 1.00 0.00 O ATOM 194 CB HIS A 13 -6.324 -0.634 -4.372 1.00 0.00 C ATOM 195 CG HIS A 13 -5.714 -1.323 -3.176 1.00 0.00 C ATOM 196 ND1 HIS A 13 -5.752 -0.765 -1.908 1.00 0.00 N ATOM 197 CD2 HIS A 13 -5.051 -2.519 -3.040 1.00 0.00 C ATOM 198 CE1 HIS A 13 -5.130 -1.616 -1.072 1.00 0.00 C ATOM 199 NE2 HIS A 13 -4.684 -2.702 -1.710 1.00 0.00 N ATOM 0 H HIS A 13 -4.401 0.380 -5.859 1.00 0.00 H new ATOM 0 HA HIS A 13 -5.744 -2.327 -5.642 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -6.104 0.433 -4.337 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -7.409 -0.737 -4.346 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.846 -3.212 -3.843 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.006 -1.442 -0.013 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -4.183 -3.494 -1.309 1.00 0.00 H new ATOM 207 N PRO A 14 -7.063 -1.843 -7.618 1.00 0.00 N ATOM 208 CA PRO A 14 -7.946 -1.605 -8.790 1.00 0.00 C ATOM 209 C PRO A 14 -9.335 -1.138 -8.348 1.00 0.00 C ATOM 210 O PRO A 14 -10.054 -0.515 -9.106 1.00 0.00 O ATOM 211 CB PRO A 14 -8.037 -2.974 -9.458 1.00 0.00 C ATOM 212 CG PRO A 14 -7.745 -3.940 -8.358 1.00 0.00 C ATOM 213 CD PRO A 14 -6.734 -3.268 -7.468 1.00 0.00 C ATOM 0 HA PRO A 14 -7.561 -0.828 -9.450 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.026 -3.144 -9.885 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.318 -3.068 -10.272 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.651 -4.184 -7.803 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.353 -4.876 -8.756 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.825 -3.597 -6.433 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.713 -3.482 -7.782 1.00 0.00 H new ATOM 221 N GLY A 15 -9.728 -1.461 -7.142 1.00 0.00 N ATOM 222 CA GLY A 15 -11.082 -1.069 -6.662 1.00 0.00 C ATOM 223 C GLY A 15 -12.087 -2.158 -7.066 1.00 0.00 C ATOM 224 O GLY A 15 -13.240 -2.123 -6.679 1.00 0.00 O ATOM 0 H GLY A 15 -9.165 -1.981 -6.469 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -11.077 -0.944 -5.579 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.372 -0.110 -7.092 1.00 0.00 H new ATOM 228 N SER A 16 -11.650 -3.129 -7.839 1.00 0.00 N ATOM 229 CA SER A 16 -12.552 -4.228 -8.279 1.00 0.00 C ATOM 230 C SER A 16 -12.042 -5.578 -7.749 1.00 0.00 C ATOM 231 O SER A 16 -12.477 -6.623 -8.189 1.00 0.00 O ATOM 232 CB SER A 16 -12.472 -4.193 -9.807 1.00 0.00 C ATOM 233 OG SER A 16 -13.653 -3.607 -10.333 1.00 0.00 O ATOM 0 H SER A 16 -10.693 -3.201 -8.184 1.00 0.00 H new ATOM 0 HA SER A 16 -13.571 -4.108 -7.911 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.599 -3.622 -10.122 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.350 -5.203 -10.198 1.00 0.00 H new ATOM 0 HG SER A 16 -13.599 -3.584 -11.311 1.00 0.00 H new ATOM 239 N GLN A 17 -11.134 -5.555 -6.797 1.00 0.00 N ATOM 240 CA GLN A 17 -10.595 -6.821 -6.216 1.00 0.00 C ATOM 241 C GLN A 17 -10.313 -6.626 -4.718 1.00 0.00 C ATOM 242 O GLN A 17 -11.011 -7.176 -3.899 1.00 0.00 O ATOM 243 CB GLN A 17 -9.317 -7.141 -7.000 1.00 0.00 C ATOM 244 CG GLN A 17 -9.666 -7.786 -8.346 1.00 0.00 C ATOM 245 CD GLN A 17 -8.754 -7.220 -9.439 1.00 0.00 C ATOM 246 OE1 GLN A 17 -7.667 -7.716 -9.655 1.00 0.00 O ATOM 247 NE2 GLN A 17 -9.150 -6.192 -10.143 1.00 0.00 N ATOM 0 H GLN A 17 -10.743 -4.702 -6.397 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.302 -7.646 -6.296 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.745 -6.228 -7.164 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.685 -7.813 -6.420 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.548 -8.868 -8.284 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -10.710 -7.593 -8.593 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.063 -5.773 -9.964 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.546 -5.809 -10.871 1.00 0.00 H new ATOM 256 N PRO A 18 -9.322 -5.823 -4.388 1.00 0.00 N ATOM 257 CA PRO A 18 -9.013 -5.571 -2.956 1.00 0.00 C ATOM 258 C PRO A 18 -10.186 -4.840 -2.289 1.00 0.00 C ATOM 259 O PRO A 18 -10.281 -4.780 -1.080 1.00 0.00 O ATOM 260 CB PRO A 18 -7.771 -4.683 -3.004 1.00 0.00 C ATOM 261 CG PRO A 18 -7.853 -4.035 -4.347 1.00 0.00 C ATOM 262 CD PRO A 18 -8.420 -5.074 -5.273 1.00 0.00 C ATOM 0 HA PRO A 18 -8.850 -6.483 -2.381 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.775 -3.945 -2.202 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.857 -5.267 -2.896 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.490 -3.151 -4.316 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.869 -3.708 -4.683 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.953 -4.625 -6.111 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.642 -5.711 -5.695 1.00 0.00 H new ATOM 270 N LYS A 19 -11.080 -4.287 -3.082 1.00 0.00 N ATOM 271 CA LYS A 19 -12.251 -3.560 -2.519 1.00 0.00 C ATOM 272 C LYS A 19 -13.554 -4.332 -2.790 1.00 0.00 C ATOM 273 O LYS A 19 -14.590 -3.995 -2.248 1.00 0.00 O ATOM 274 CB LYS A 19 -12.278 -2.208 -3.240 1.00 0.00 C ATOM 275 CG LYS A 19 -10.866 -1.605 -3.310 1.00 0.00 C ATOM 276 CD LYS A 19 -10.297 -1.419 -1.897 1.00 0.00 C ATOM 277 CE LYS A 19 -11.189 -0.466 -1.091 1.00 0.00 C ATOM 278 NZ LYS A 19 -10.859 0.893 -1.614 1.00 0.00 N ATOM 0 H LYS A 19 -11.041 -4.313 -4.101 1.00 0.00 H new ATOM 0 HA LYS A 19 -12.169 -3.446 -1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.676 -2.334 -4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -12.946 -1.524 -2.717 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.213 -2.257 -3.890 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.898 -0.645 -3.826 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.233 -2.383 -1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.284 -1.021 -1.954 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.245 -0.699 -1.230 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.984 -0.540 -0.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.740 1.552 -0.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.976 0.849 -2.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.630 1.226 -2.227 1.00 0.00 H new ATOM 292 N THR A 20 -13.528 -5.357 -3.624 1.00 0.00 N ATOM 293 CA THR A 20 -14.796 -6.104 -3.898 1.00 0.00 C ATOM 294 C THR A 20 -14.558 -7.578 -4.300 1.00 0.00 C ATOM 295 O THR A 20 -15.290 -8.449 -3.872 1.00 0.00 O ATOM 296 CB THR A 20 -15.491 -5.319 -5.018 1.00 0.00 C ATOM 297 OG1 THR A 20 -16.743 -5.920 -5.315 1.00 0.00 O ATOM 298 CG2 THR A 20 -14.621 -5.303 -6.274 1.00 0.00 C ATOM 0 H THR A 20 -12.700 -5.698 -4.113 1.00 0.00 H new ATOM 0 HA THR A 20 -15.407 -6.168 -2.998 1.00 0.00 H new ATOM 0 HB THR A 20 -15.647 -4.293 -4.684 1.00 0.00 H new ATOM 0 HG1 THR A 20 -17.186 -5.417 -6.029 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.127 -4.743 -7.060 1.00 0.00 H new ATOM 0 HG22 THR A 20 -13.665 -4.830 -6.049 1.00 0.00 H new ATOM 0 HG23 THR A 20 -14.449 -6.325 -6.611 1.00 0.00 H new ATOM 306 N ALA A 21 -13.562 -7.875 -5.110 1.00 0.00 N ATOM 307 CA ALA A 21 -13.326 -9.310 -5.509 1.00 0.00 C ATOM 308 C ALA A 21 -12.287 -9.985 -4.594 1.00 0.00 C ATOM 309 O ALA A 21 -11.765 -11.037 -4.909 1.00 0.00 O ATOM 310 CB ALA A 21 -12.824 -9.264 -6.955 1.00 0.00 C ATOM 0 H ALA A 21 -12.910 -7.198 -5.508 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.240 -9.897 -5.417 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.633 -10.278 -7.306 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.579 -8.797 -7.588 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.902 -8.684 -7.002 1.00 0.00 H new ATOM 316 N CYS A 22 -11.997 -9.379 -3.468 1.00 0.00 N ATOM 317 CA CYS A 22 -11.000 -9.934 -2.497 1.00 0.00 C ATOM 318 C CYS A 22 -10.845 -8.934 -1.350 1.00 0.00 C ATOM 319 O CYS A 22 -9.777 -8.402 -1.102 1.00 0.00 O ATOM 320 CB CYS A 22 -9.688 -10.082 -3.278 1.00 0.00 C ATOM 321 SG CYS A 22 -8.476 -10.972 -2.268 1.00 0.00 S ATOM 0 H CYS A 22 -12.421 -8.499 -3.174 1.00 0.00 H new ATOM 0 HA CYS A 22 -11.301 -10.893 -2.076 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -9.866 -10.620 -4.209 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -9.301 -9.099 -3.547 1.00 0.00 H new ATOM 0 HG CYS A 22 -7.366 -11.098 -2.933 1.00 0.00 H new ATOM 327 N ASN A 23 -11.930 -8.647 -0.681 1.00 0.00 N ATOM 328 CA ASN A 23 -11.900 -7.654 0.420 1.00 0.00 C ATOM 329 C ASN A 23 -11.268 -8.211 1.691 1.00 0.00 C ATOM 330 O ASN A 23 -10.617 -9.239 1.696 1.00 0.00 O ATOM 331 CB ASN A 23 -13.370 -7.283 0.655 1.00 0.00 C ATOM 332 CG ASN A 23 -13.498 -5.770 0.853 1.00 0.00 C ATOM 333 OD1 ASN A 23 -12.738 -4.968 0.163 1.00 0.00 O flip ATOM 334 ND2 ASN A 23 -14.299 -5.316 1.645 1.00 0.00 N flip ATOM 0 H ASN A 23 -12.843 -9.066 -0.856 1.00 0.00 H new ATOM 0 HA ASN A 23 -11.287 -6.792 0.155 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -13.975 -7.600 -0.194 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.751 -7.807 1.531 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -14.894 -5.944 2.185 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -14.377 -4.307 1.770 1.00 0.00 H new ATOM 341 N ARG A 24 -11.456 -7.492 2.764 1.00 0.00 N ATOM 342 CA ARG A 24 -10.882 -7.875 4.083 1.00 0.00 C ATOM 343 C ARG A 24 -11.332 -6.843 5.141 1.00 0.00 C ATOM 344 O ARG A 24 -12.343 -7.029 5.793 1.00 0.00 O ATOM 345 CB ARG A 24 -9.356 -7.873 3.882 1.00 0.00 C ATOM 346 CG ARG A 24 -8.924 -6.687 3.012 1.00 0.00 C ATOM 347 CD ARG A 24 -7.971 -7.157 1.915 1.00 0.00 C ATOM 348 NE ARG A 24 -7.255 -5.909 1.539 1.00 0.00 N ATOM 349 CZ ARG A 24 -6.379 -5.917 0.567 1.00 0.00 C ATOM 350 NH1 ARG A 24 -5.515 -6.895 0.463 1.00 0.00 N ATOM 351 NH2 ARG A 24 -6.369 -4.942 -0.301 1.00 0.00 N ATOM 0 H ARG A 24 -12.000 -6.629 2.779 1.00 0.00 H new ATOM 0 HA ARG A 24 -11.214 -8.852 4.433 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.857 -7.821 4.850 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.045 -8.806 3.413 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.800 -6.216 2.566 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.436 -5.933 3.629 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.285 -7.923 2.277 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.509 -7.585 1.069 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.448 -5.042 2.041 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.522 -7.656 1.142 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.835 -6.896 -0.297 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.042 -4.180 -0.219 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.689 -4.943 -1.061 1.00 0.00 H new ATOM 365 N CYS A 25 -10.598 -5.753 5.299 1.00 0.00 N ATOM 366 CA CYS A 25 -10.967 -4.678 6.281 1.00 0.00 C ATOM 367 C CYS A 25 -10.760 -5.139 7.728 1.00 0.00 C ATOM 368 O CYS A 25 -11.595 -4.929 8.587 1.00 0.00 O ATOM 369 CB CYS A 25 -12.437 -4.349 6.008 1.00 0.00 C ATOM 370 SG CYS A 25 -12.559 -2.717 5.233 1.00 0.00 S ATOM 0 H CYS A 25 -9.743 -5.565 4.775 1.00 0.00 H new ATOM 0 HA CYS A 25 -10.332 -3.800 6.158 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -12.875 -5.106 5.357 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -13.003 -4.364 6.940 1.00 0.00 H new ATOM 0 HG CYS A 25 -13.807 -2.440 5.000 1.00 0.00 H new ATOM 376 N HIS A 26 -9.632 -5.737 8.002 1.00 0.00 N ATOM 377 CA HIS A 26 -9.321 -6.189 9.392 1.00 0.00 C ATOM 378 C HIS A 26 -7.829 -6.528 9.496 1.00 0.00 C ATOM 379 O HIS A 26 -7.091 -5.842 10.168 1.00 0.00 O ATOM 380 CB HIS A 26 -10.217 -7.410 9.703 1.00 0.00 C ATOM 381 CG HIS A 26 -10.546 -8.254 8.486 1.00 0.00 C ATOM 382 ND1 HIS A 26 -11.571 -9.189 8.506 1.00 0.00 N ATOM 383 CD2 HIS A 26 -10.000 -8.333 7.227 1.00 0.00 C ATOM 384 CE1 HIS A 26 -11.605 -9.782 7.297 1.00 0.00 C ATOM 385 NE2 HIS A 26 -10.667 -9.300 6.486 1.00 0.00 N ATOM 0 H HIS A 26 -8.904 -5.934 7.315 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.526 -5.406 10.123 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -9.718 -8.036 10.443 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -11.146 -7.062 10.154 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -12.187 -9.391 9.293 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -9.176 -7.734 6.868 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.308 -10.554 7.020 1.00 0.00 H new ATOM 393 N CYS A 27 -7.372 -7.551 8.815 1.00 0.00 N ATOM 394 CA CYS A 27 -5.917 -7.903 8.855 1.00 0.00 C ATOM 395 C CYS A 27 -5.081 -6.794 8.185 1.00 0.00 C ATOM 396 O CYS A 27 -3.876 -6.727 8.348 1.00 0.00 O ATOM 397 CB CYS A 27 -5.821 -9.222 8.078 1.00 0.00 C ATOM 398 SG CYS A 27 -5.848 -8.915 6.295 1.00 0.00 S ATOM 0 H CYS A 27 -7.946 -8.160 8.231 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.532 -8.002 9.870 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.903 -9.744 8.349 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -6.651 -9.873 8.353 1.00 0.00 H new ATOM 0 HG CYS A 27 -5.763 -10.045 5.659 1.00 0.00 H new ATOM 404 N LYS A 28 -5.726 -5.921 7.444 1.00 0.00 N ATOM 405 CA LYS A 28 -5.009 -4.799 6.762 1.00 0.00 C ATOM 406 C LYS A 28 -4.518 -3.759 7.777 1.00 0.00 C ATOM 407 O LYS A 28 -3.593 -3.014 7.516 1.00 0.00 O ATOM 408 CB LYS A 28 -6.072 -4.161 5.865 1.00 0.00 C ATOM 409 CG LYS A 28 -6.459 -5.107 4.729 1.00 0.00 C ATOM 410 CD LYS A 28 -5.214 -5.498 3.933 1.00 0.00 C ATOM 411 CE LYS A 28 -4.887 -6.964 4.219 1.00 0.00 C ATOM 412 NZ LYS A 28 -3.644 -7.233 3.444 1.00 0.00 N ATOM 0 H LYS A 28 -6.733 -5.941 7.282 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.134 -5.153 6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.954 -3.915 6.456 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.693 -3.226 5.453 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.938 -5.999 5.133 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.184 -4.625 4.073 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.386 -5.351 2.867 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.373 -4.863 4.211 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.734 -7.135 5.285 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.699 -7.619 3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.353 -8.221 3.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.823 -7.068 2.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.887 -6.598 3.770 1.00 0.00 H new ATOM 426 N LYS A 29 -5.151 -3.690 8.920 1.00 0.00 N ATOM 427 CA LYS A 29 -4.755 -2.688 9.954 1.00 0.00 C ATOM 428 C LYS A 29 -5.239 -3.138 11.342 1.00 0.00 C ATOM 429 O LYS A 29 -5.552 -2.327 12.194 1.00 0.00 O ATOM 430 CB LYS A 29 -5.459 -1.389 9.517 1.00 0.00 C ATOM 431 CG LYS A 29 -6.968 -1.448 9.821 1.00 0.00 C ATOM 432 CD LYS A 29 -7.636 -2.563 9.002 1.00 0.00 C ATOM 433 CE LYS A 29 -9.135 -2.286 8.835 1.00 0.00 C ATOM 434 NZ LYS A 29 -9.685 -2.273 10.224 1.00 0.00 N ATOM 0 H LYS A 29 -5.932 -4.291 9.183 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.675 -2.562 10.030 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.014 -0.539 10.033 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.306 -1.230 8.450 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.124 -1.626 10.885 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.430 -0.489 9.587 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.163 -2.636 8.023 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.491 -3.523 9.498 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.307 -1.333 8.334 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.613 -3.055 8.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.717 -2.396 10.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.262 -3.049 10.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.459 -1.365 10.678 1.00 0.00 H new ATOM 448 N CYS A 30 -5.310 -4.428 11.565 1.00 0.00 N ATOM 449 CA CYS A 30 -5.791 -4.947 12.882 1.00 0.00 C ATOM 450 C CYS A 30 -4.915 -4.431 14.033 1.00 0.00 C ATOM 451 O CYS A 30 -5.423 -3.899 15.002 1.00 0.00 O ATOM 452 CB CYS A 30 -5.735 -6.480 12.769 1.00 0.00 C ATOM 453 SG CYS A 30 -4.090 -7.038 12.251 1.00 0.00 S ATOM 0 H CYS A 30 -5.054 -5.146 10.888 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.802 -4.606 13.105 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.988 -6.928 13.730 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.481 -6.822 12.052 1.00 0.00 H new ATOM 0 HG CYS A 30 -4.078 -8.335 12.168 1.00 0.00 H new ATOM 459 N CYS A 31 -3.611 -4.567 13.932 1.00 0.00 N ATOM 460 CA CYS A 31 -2.706 -4.072 15.019 1.00 0.00 C ATOM 461 C CYS A 31 -1.248 -4.450 14.714 1.00 0.00 C ATOM 462 O CYS A 31 -0.647 -5.248 15.410 1.00 0.00 O ATOM 463 CB CYS A 31 -3.184 -4.767 16.304 1.00 0.00 C ATOM 464 SG CYS A 31 -3.538 -3.518 17.567 1.00 0.00 S ATOM 0 H CYS A 31 -3.135 -5.001 13.141 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.742 -2.987 15.112 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.077 -5.358 16.100 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.420 -5.457 16.663 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.945 -4.103 18.654 1.00 0.00 H new ATOM 470 N TYR A 32 -0.666 -3.882 13.683 1.00 0.00 N ATOM 471 CA TYR A 32 0.749 -4.211 13.350 1.00 0.00 C ATOM 472 C TYR A 32 1.379 -3.028 12.606 1.00 0.00 C ATOM 473 O TYR A 32 2.110 -3.192 11.646 1.00 0.00 O ATOM 474 CB TYR A 32 0.674 -5.493 12.492 1.00 0.00 C ATOM 475 CG TYR A 32 0.111 -5.236 11.108 1.00 0.00 C ATOM 476 CD1 TYR A 32 -1.169 -4.683 10.932 1.00 0.00 C ATOM 477 CD2 TYR A 32 0.880 -5.576 9.994 1.00 0.00 C ATOM 478 CE1 TYR A 32 -1.665 -4.471 9.640 1.00 0.00 C ATOM 479 CE2 TYR A 32 0.382 -5.365 8.703 1.00 0.00 C ATOM 480 CZ TYR A 32 -0.890 -4.812 8.526 1.00 0.00 C ATOM 481 OH TYR A 32 -1.380 -4.606 7.252 1.00 0.00 O ATOM 0 H TYR A 32 -1.112 -3.207 13.062 1.00 0.00 H new ATOM 0 HA TYR A 32 1.377 -4.385 14.224 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.671 -5.923 12.400 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.054 -6.231 13.001 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.769 -4.422 11.791 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.863 -6.003 10.129 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.647 -4.044 9.503 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.980 -5.629 7.844 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.062 -3.902 7.274 1.00 0.00 H new ATOM 491 N HIS A 33 1.073 -1.826 13.065 1.00 0.00 N ATOM 492 CA HIS A 33 1.607 -0.574 12.433 1.00 0.00 C ATOM 493 C HIS A 33 1.105 -0.422 10.983 1.00 0.00 C ATOM 494 O HIS A 33 1.494 0.498 10.288 1.00 0.00 O ATOM 495 CB HIS A 33 3.136 -0.706 12.475 1.00 0.00 C ATOM 496 CG HIS A 33 3.609 -0.757 13.903 1.00 0.00 C ATOM 497 ND1 HIS A 33 3.946 0.385 14.611 1.00 0.00 N ATOM 498 CD2 HIS A 33 3.813 -1.806 14.764 1.00 0.00 C ATOM 499 CE1 HIS A 33 4.330 0.000 15.842 1.00 0.00 C ATOM 500 NE2 HIS A 33 4.268 -1.326 15.988 1.00 0.00 N ATOM 0 H HIS A 33 0.464 -1.663 13.867 1.00 0.00 H new ATOM 0 HA HIS A 33 1.267 0.315 12.965 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.446 -1.608 11.948 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.596 0.138 11.961 1.00 0.00 H new ATOM 0 HD2 HIS A 33 3.646 -2.846 14.527 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.649 0.681 16.617 1.00 0.00 H new ATOM 0 HE2 HIS A 33 4.504 -1.870 16.818 1.00 0.00 H new ATOM 508 N CYS A 34 0.238 -1.309 10.530 1.00 0.00 N ATOM 509 CA CYS A 34 -0.306 -1.234 9.136 1.00 0.00 C ATOM 510 C CYS A 34 0.830 -1.116 8.100 1.00 0.00 C ATOM 511 O CYS A 34 1.175 -0.030 7.668 1.00 0.00 O ATOM 512 CB CYS A 34 -1.195 0.010 9.115 1.00 0.00 C ATOM 513 SG CYS A 34 -2.462 -0.117 10.401 1.00 0.00 S ATOM 0 H CYS A 34 -0.117 -2.091 11.080 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.862 -2.134 8.874 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.590 0.903 9.275 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.666 0.115 8.137 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.320 -1.240 11.041 1.00 0.00 H new ATOM 519 N GLN A 35 1.412 -2.224 7.701 1.00 0.00 N ATOM 520 CA GLN A 35 2.527 -2.177 6.696 1.00 0.00 C ATOM 521 C GLN A 35 2.023 -2.529 5.289 1.00 0.00 C ATOM 522 O GLN A 35 2.562 -2.059 4.309 1.00 0.00 O ATOM 523 CB GLN A 35 3.544 -3.225 7.157 1.00 0.00 C ATOM 524 CG GLN A 35 4.040 -2.903 8.570 1.00 0.00 C ATOM 525 CD GLN A 35 4.500 -1.447 8.659 1.00 0.00 C ATOM 526 OE1 GLN A 35 3.917 -0.652 9.506 1.00 0.00 O flip ATOM 527 NE2 GLN A 35 5.397 -1.032 7.954 1.00 0.00 N flip ATOM 0 H GLN A 35 1.164 -3.158 8.027 1.00 0.00 H new ATOM 0 HA GLN A 35 2.957 -1.177 6.639 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.088 -4.215 7.142 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.387 -3.252 6.466 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.243 -3.083 9.291 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.863 -3.567 8.833 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.854 -1.657 7.290 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.694 -0.059 8.026 1.00 0.00 H new ATOM 536 N VAL A 36 1.007 -3.358 5.185 1.00 0.00 N ATOM 537 CA VAL A 36 0.467 -3.752 3.840 1.00 0.00 C ATOM 538 C VAL A 36 1.560 -4.426 2.990 1.00 0.00 C ATOM 539 O VAL A 36 1.937 -3.936 1.940 1.00 0.00 O ATOM 540 CB VAL A 36 -0.018 -2.447 3.186 1.00 0.00 C ATOM 541 CG1 VAL A 36 -0.816 -2.747 1.913 1.00 0.00 C ATOM 542 CG2 VAL A 36 -0.913 -1.574 4.075 1.00 0.00 C ATOM 0 H VAL A 36 0.526 -3.781 5.979 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.344 -4.476 3.928 1.00 0.00 H new ATOM 0 HB VAL A 36 0.900 -1.894 2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.151 -1.812 1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.184 -3.283 1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.682 -3.360 2.162 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.205 -0.677 3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.805 -2.134 4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.366 -1.289 4.974 1.00 0.00 H new ATOM 552 N CYS A 37 2.060 -5.555 3.444 1.00 0.00 N ATOM 553 CA CYS A 37 3.126 -6.300 2.688 1.00 0.00 C ATOM 554 C CYS A 37 4.262 -5.359 2.255 1.00 0.00 C ATOM 555 O CYS A 37 4.535 -5.193 1.080 1.00 0.00 O ATOM 556 CB CYS A 37 2.414 -6.896 1.468 1.00 0.00 C ATOM 557 SG CYS A 37 1.698 -8.499 1.908 1.00 0.00 S ATOM 0 H CYS A 37 1.772 -5.998 4.317 1.00 0.00 H new ATOM 0 HA CYS A 37 3.591 -7.070 3.304 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.632 -6.219 1.124 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.118 -7.014 0.645 1.00 0.00 H new ATOM 0 HG CYS A 37 1.093 -9.002 0.874 1.00 0.00 H new ATOM 563 N PHE A 38 4.918 -4.735 3.199 1.00 0.00 N ATOM 564 CA PHE A 38 6.030 -3.791 2.850 1.00 0.00 C ATOM 565 C PHE A 38 7.394 -4.518 2.751 1.00 0.00 C ATOM 566 O PHE A 38 7.472 -5.618 2.238 1.00 0.00 O ATOM 567 CB PHE A 38 6.001 -2.699 3.943 1.00 0.00 C ATOM 568 CG PHE A 38 6.638 -3.127 5.256 1.00 0.00 C ATOM 569 CD1 PHE A 38 6.527 -4.442 5.730 1.00 0.00 C ATOM 570 CD2 PHE A 38 7.330 -2.173 6.015 1.00 0.00 C ATOM 571 CE1 PHE A 38 7.101 -4.794 6.950 1.00 0.00 C ATOM 572 CE2 PHE A 38 7.907 -2.532 7.235 1.00 0.00 C ATOM 573 CZ PHE A 38 7.791 -3.841 7.701 1.00 0.00 C ATOM 0 H PHE A 38 4.734 -4.836 4.197 1.00 0.00 H new ATOM 0 HA PHE A 38 5.894 -3.349 1.863 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.516 -1.813 3.572 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.966 -2.412 4.129 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.997 -5.182 5.149 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.417 -1.158 5.656 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.012 -5.806 7.315 1.00 0.00 H new ATOM 0 HE2 PHE A 38 8.443 -1.796 7.817 1.00 0.00 H new ATOM 0 HZ PHE A 38 8.236 -4.118 8.645 1.00 0.00 H new ATOM 583 N ILE A 39 8.470 -3.893 3.180 1.00 0.00 N ATOM 584 CA ILE A 39 9.834 -4.519 3.050 1.00 0.00 C ATOM 585 C ILE A 39 9.981 -5.849 3.818 1.00 0.00 C ATOM 586 O ILE A 39 10.594 -6.774 3.318 1.00 0.00 O ATOM 587 CB ILE A 39 10.828 -3.471 3.581 1.00 0.00 C ATOM 588 CG1 ILE A 39 10.427 -2.993 4.985 1.00 0.00 C ATOM 589 CG2 ILE A 39 10.845 -2.271 2.633 1.00 0.00 C ATOM 590 CD1 ILE A 39 11.683 -2.623 5.777 1.00 0.00 C ATOM 0 H ILE A 39 8.463 -2.971 3.617 1.00 0.00 H new ATOM 0 HA ILE A 39 10.018 -4.782 2.008 1.00 0.00 H new ATOM 0 HB ILE A 39 11.816 -3.928 3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.764 -2.131 4.912 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.875 -3.777 5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 39 11.547 -1.524 3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 39 11.152 -2.597 1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.847 -1.835 2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.398 -2.284 6.773 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.330 -3.496 5.862 1.00 0.00 H new ATOM 0 HD13 ILE A 39 12.217 -1.825 5.261 1.00 0.00 H new ATOM 602 N THR A 40 9.454 -5.967 5.012 1.00 0.00 N ATOM 603 CA THR A 40 9.608 -7.255 5.764 1.00 0.00 C ATOM 604 C THR A 40 8.303 -8.057 5.719 1.00 0.00 C ATOM 605 O THR A 40 7.220 -7.507 5.782 1.00 0.00 O ATOM 606 CB THR A 40 9.945 -6.846 7.205 1.00 0.00 C ATOM 607 OG1 THR A 40 11.017 -5.910 7.193 1.00 0.00 O ATOM 608 CG2 THR A 40 10.353 -8.080 8.020 1.00 0.00 C ATOM 0 H THR A 40 8.930 -5.238 5.495 1.00 0.00 H new ATOM 0 HA THR A 40 10.383 -7.890 5.334 1.00 0.00 H new ATOM 0 HB THR A 40 9.066 -6.392 7.662 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.328 -5.757 8.110 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.590 -7.780 9.041 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.530 -8.795 8.034 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.229 -8.543 7.565 1.00 0.00 H new ATOM 616 N LYS A 41 8.402 -9.359 5.608 1.00 0.00 N ATOM 617 CA LYS A 41 7.169 -10.205 5.559 1.00 0.00 C ATOM 618 C LYS A 41 6.504 -10.289 6.936 1.00 0.00 C ATOM 619 O LYS A 41 5.368 -10.713 7.053 1.00 0.00 O ATOM 620 CB LYS A 41 7.634 -11.574 5.067 1.00 0.00 C ATOM 621 CG LYS A 41 8.072 -11.453 3.600 1.00 0.00 C ATOM 622 CD LYS A 41 6.903 -10.939 2.745 1.00 0.00 C ATOM 623 CE LYS A 41 6.912 -9.402 2.713 1.00 0.00 C ATOM 624 NZ LYS A 41 5.481 -9.007 2.885 1.00 0.00 N ATOM 0 H LYS A 41 9.282 -9.872 5.549 1.00 0.00 H new ATOM 0 HA LYS A 41 6.413 -9.785 4.895 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.461 -11.933 5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.828 -12.302 5.161 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.919 -10.772 3.520 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.406 -12.422 3.230 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.982 -11.333 1.732 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.958 -11.297 3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.533 -8.994 3.510 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.315 -9.028 1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.209 -8.349 2.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.879 -9.854 2.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.357 -8.543 3.807 1.00 0.00 H new ATOM 638 N GLY A 42 7.179 -9.852 7.974 1.00 0.00 N ATOM 639 CA GLY A 42 6.561 -9.868 9.328 1.00 0.00 C ATOM 640 C GLY A 42 5.512 -8.744 9.411 1.00 0.00 C ATOM 641 O GLY A 42 4.794 -8.640 10.381 1.00 0.00 O ATOM 0 H GLY A 42 8.130 -9.486 7.936 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.094 -10.834 9.518 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.325 -9.728 10.093 1.00 0.00 H new ATOM 645 N LEU A 43 5.418 -7.907 8.391 1.00 0.00 N ATOM 646 CA LEU A 43 4.417 -6.790 8.388 1.00 0.00 C ATOM 647 C LEU A 43 4.725 -5.773 9.493 1.00 0.00 C ATOM 648 O LEU A 43 3.836 -5.251 10.138 1.00 0.00 O ATOM 649 CB LEU A 43 3.053 -7.447 8.621 1.00 0.00 C ATOM 650 CG LEU A 43 2.842 -8.598 7.633 1.00 0.00 C ATOM 651 CD1 LEU A 43 1.482 -9.188 8.010 1.00 0.00 C ATOM 652 CD2 LEU A 43 2.942 -8.097 6.191 1.00 0.00 C ATOM 0 H LEU A 43 6.001 -7.956 7.555 1.00 0.00 H new ATOM 0 HA LEU A 43 4.441 -6.241 7.447 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.991 -7.820 9.643 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.261 -6.708 8.503 1.00 0.00 H new ATOM 0 HG LEU A 43 3.608 -9.372 7.690 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.251 -10.023 7.348 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.511 -9.540 9.041 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.713 -8.422 7.910 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.789 -8.930 5.505 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.179 -7.338 6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.929 -7.665 6.023 1.00 0.00 H new ATOM 664 N GLY A 44 5.981 -5.478 9.700 1.00 0.00 N ATOM 665 CA GLY A 44 6.368 -4.481 10.746 1.00 0.00 C ATOM 666 C GLY A 44 5.833 -4.888 12.123 1.00 0.00 C ATOM 667 O GLY A 44 5.572 -4.045 12.961 1.00 0.00 O ATOM 0 H GLY A 44 6.762 -5.887 9.187 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.454 -4.394 10.786 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.979 -3.499 10.478 1.00 0.00 H new ATOM 671 N ILE A 45 5.666 -6.165 12.368 1.00 0.00 N ATOM 672 CA ILE A 45 5.147 -6.603 13.706 1.00 0.00 C ATOM 673 C ILE A 45 6.180 -6.310 14.806 1.00 0.00 C ATOM 674 O ILE A 45 5.884 -5.616 15.761 1.00 0.00 O ATOM 675 CB ILE A 45 4.859 -8.115 13.608 1.00 0.00 C ATOM 676 CG1 ILE A 45 6.008 -8.860 12.911 1.00 0.00 C ATOM 677 CG2 ILE A 45 3.557 -8.335 12.834 1.00 0.00 C ATOM 678 CD1 ILE A 45 6.720 -9.766 13.919 1.00 0.00 C ATOM 0 H ILE A 45 5.864 -6.918 11.708 1.00 0.00 H new ATOM 0 HA ILE A 45 4.239 -6.059 13.968 1.00 0.00 H new ATOM 0 HB ILE A 45 4.764 -8.512 14.619 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.620 -9.454 12.083 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.714 -8.146 12.487 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.352 -9.403 12.764 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.736 -7.841 13.355 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.654 -7.917 11.832 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.534 -10.293 13.422 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.122 -9.161 14.732 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.011 -10.490 14.322 1.00 0.00 H new ATOM 690 N SER A 46 7.385 -6.826 14.684 1.00 0.00 N ATOM 691 CA SER A 46 8.427 -6.565 15.732 1.00 0.00 C ATOM 692 C SER A 46 9.795 -7.150 15.328 1.00 0.00 C ATOM 693 O SER A 46 10.591 -7.507 16.178 1.00 0.00 O ATOM 694 CB SER A 46 7.908 -7.267 16.993 1.00 0.00 C ATOM 695 OG SER A 46 8.479 -6.660 18.142 1.00 0.00 O ATOM 0 H SER A 46 7.689 -7.413 13.908 1.00 0.00 H new ATOM 0 HA SER A 46 8.581 -5.496 15.878 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.821 -7.202 17.037 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.163 -8.326 16.963 1.00 0.00 H new ATOM 0 HG SER A 46 9.456 -6.660 18.061 1.00 0.00 H new ATOM 701 N TYR A 47 10.090 -7.246 14.048 1.00 0.00 N ATOM 702 CA TYR A 47 11.419 -7.801 13.629 1.00 0.00 C ATOM 703 C TYR A 47 12.532 -6.751 13.791 1.00 0.00 C ATOM 704 O TYR A 47 13.703 -7.062 13.679 1.00 0.00 O ATOM 705 CB TYR A 47 11.256 -8.185 12.149 1.00 0.00 C ATOM 706 CG TYR A 47 11.025 -6.954 11.300 1.00 0.00 C ATOM 707 CD1 TYR A 47 12.099 -6.126 10.945 1.00 0.00 C ATOM 708 CD2 TYR A 47 9.736 -6.645 10.862 1.00 0.00 C ATOM 709 CE1 TYR A 47 11.880 -4.997 10.156 1.00 0.00 C ATOM 710 CE2 TYR A 47 9.516 -5.519 10.076 1.00 0.00 C ATOM 711 CZ TYR A 47 10.589 -4.691 9.720 1.00 0.00 C ATOM 712 OH TYR A 47 10.377 -3.575 8.938 1.00 0.00 O ATOM 0 H TYR A 47 9.474 -6.967 13.284 1.00 0.00 H new ATOM 0 HA TYR A 47 11.705 -8.655 14.244 1.00 0.00 H new ATOM 0 HB2 TYR A 47 12.147 -8.709 11.804 1.00 0.00 H new ATOM 0 HB3 TYR A 47 10.418 -8.873 12.037 1.00 0.00 H new ATOM 0 HD1 TYR A 47 13.097 -6.363 11.283 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.907 -7.282 11.134 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.708 -4.360 9.882 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.517 -5.283 9.740 1.00 0.00 H new ATOM 0 HH TYR A 47 9.689 -3.771 8.268 1.00 0.00 H new ATOM 722 N GLY A 48 12.176 -5.511 14.033 1.00 0.00 N ATOM 723 CA GLY A 48 13.203 -4.442 14.176 1.00 0.00 C ATOM 724 C GLY A 48 13.110 -3.537 12.947 1.00 0.00 C ATOM 725 O GLY A 48 13.980 -3.539 12.096 1.00 0.00 O ATOM 0 H GLY A 48 11.211 -5.197 14.137 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.033 -3.868 15.087 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.199 -4.877 14.255 1.00 0.00 H new ATOM 729 N ARG A 49 12.048 -2.775 12.845 1.00 0.00 N ATOM 730 CA ARG A 49 11.866 -1.877 11.678 1.00 0.00 C ATOM 731 C ARG A 49 12.834 -0.701 11.757 1.00 0.00 C ATOM 732 O ARG A 49 13.361 -0.374 12.805 1.00 0.00 O ATOM 733 CB ARG A 49 10.427 -1.373 11.782 1.00 0.00 C ATOM 734 CG ARG A 49 9.445 -2.545 11.797 1.00 0.00 C ATOM 735 CD ARG A 49 8.035 -2.012 12.043 1.00 0.00 C ATOM 736 NE ARG A 49 7.654 -1.389 10.741 1.00 0.00 N ATOM 737 CZ ARG A 49 7.081 -0.213 10.716 1.00 0.00 C ATOM 738 NH1 ARG A 49 6.089 0.050 11.526 1.00 0.00 N ATOM 739 NH2 ARG A 49 7.502 0.699 9.879 1.00 0.00 N ATOM 0 H ARG A 49 11.295 -2.742 13.532 1.00 0.00 H new ATOM 0 HA ARG A 49 12.057 -2.392 10.736 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.308 -0.781 12.689 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.205 -0.716 10.941 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.484 -3.081 10.849 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.720 -3.256 12.576 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.348 -2.812 12.319 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.019 -1.284 12.854 1.00 0.00 H new ATOM 0 HE ARG A 49 7.841 -1.882 9.868 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.761 -0.662 12.179 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.643 0.967 11.505 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.276 0.493 9.247 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.057 1.616 9.858 1.00 0.00 H new ATOM 753 N LYS A 50 13.049 -0.063 10.652 1.00 0.00 N ATOM 754 CA LYS A 50 13.963 1.111 10.606 1.00 0.00 C ATOM 755 C LYS A 50 13.193 2.348 10.124 1.00 0.00 C ATOM 756 O LYS A 50 13.542 3.465 10.455 1.00 0.00 O ATOM 757 CB LYS A 50 15.069 0.725 9.606 1.00 0.00 C ATOM 758 CG LYS A 50 14.467 0.324 8.247 1.00 0.00 C ATOM 759 CD LYS A 50 14.126 -1.172 8.246 1.00 0.00 C ATOM 760 CE LYS A 50 15.096 -1.937 7.342 1.00 0.00 C ATOM 761 NZ LYS A 50 16.370 -1.996 8.119 1.00 0.00 N ATOM 0 H LYS A 50 12.624 -0.306 9.757 1.00 0.00 H new ATOM 0 HA LYS A 50 14.380 1.355 11.583 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.752 1.564 9.472 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.655 -0.102 10.007 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.569 0.910 8.050 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.174 0.545 7.447 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.178 -1.565 9.262 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.103 -1.319 7.900 1.00 0.00 H new ATOM 0 HE2 LYS A 50 14.723 -2.936 7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.236 -1.426 6.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 17.033 -2.645 7.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 16.791 -1.046 8.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 16.174 -2.338 9.082 1.00 0.00 H new ATOM 775 N LYS A 51 12.148 2.128 9.348 1.00 0.00 N ATOM 776 CA LYS A 51 11.297 3.240 8.788 1.00 0.00 C ATOM 777 C LYS A 51 10.658 2.767 7.483 1.00 0.00 C ATOM 778 O LYS A 51 10.690 1.595 7.153 1.00 0.00 O ATOM 779 CB LYS A 51 12.218 4.432 8.469 1.00 0.00 C ATOM 780 CG LYS A 51 13.490 3.964 7.745 1.00 0.00 C ATOM 781 CD LYS A 51 13.603 4.662 6.389 1.00 0.00 C ATOM 782 CE LYS A 51 13.838 3.611 5.303 1.00 0.00 C ATOM 783 NZ LYS A 51 14.277 4.399 4.114 1.00 0.00 N ATOM 0 H LYS A 51 11.841 1.195 9.072 1.00 0.00 H new ATOM 0 HA LYS A 51 10.525 3.523 9.504 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.685 5.152 7.848 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.488 4.945 9.392 1.00 0.00 H new ATOM 0 HG2 LYS A 51 14.367 4.186 8.352 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.463 2.883 7.606 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.693 5.224 6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.424 5.379 6.402 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.598 2.890 5.605 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.929 3.047 5.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.775 3.774 3.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.446 4.812 3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.917 5.160 4.419 1.00 0.00 H new ATOM 797 N ARG A 52 10.108 3.677 6.723 1.00 0.00 N ATOM 798 CA ARG A 52 9.507 3.294 5.425 1.00 0.00 C ATOM 799 C ARG A 52 10.598 3.230 4.363 1.00 0.00 C ATOM 800 O ARG A 52 10.983 4.237 3.793 1.00 0.00 O ATOM 801 CB ARG A 52 8.506 4.399 5.094 1.00 0.00 C ATOM 802 CG ARG A 52 7.258 4.220 5.954 1.00 0.00 C ATOM 803 CD ARG A 52 7.268 5.228 7.099 1.00 0.00 C ATOM 804 NE ARG A 52 7.279 6.560 6.425 1.00 0.00 N ATOM 805 CZ ARG A 52 6.181 7.267 6.346 1.00 0.00 C ATOM 806 NH1 ARG A 52 5.522 7.577 7.433 1.00 0.00 N ATOM 807 NH2 ARG A 52 5.746 7.665 5.180 1.00 0.00 N ATOM 0 H ARG A 52 10.052 4.670 6.951 1.00 0.00 H new ATOM 0 HA ARG A 52 9.023 2.318 5.463 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.952 5.377 5.278 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.242 4.362 4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.364 4.356 5.346 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.222 3.206 6.351 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.391 5.113 7.736 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.144 5.098 7.735 1.00 0.00 H new ATOM 0 HE ARG A 52 8.145 6.920 6.025 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.864 7.267 8.343 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.666 8.128 7.371 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.262 7.424 4.334 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.890 8.216 5.116 1.00 0.00 H new ATOM 821 N ARG A 53 11.090 2.050 4.077 1.00 0.00 N ATOM 822 CA ARG A 53 12.143 1.917 3.025 1.00 0.00 C ATOM 823 C ARG A 53 11.565 2.325 1.660 1.00 0.00 C ATOM 824 O ARG A 53 12.275 2.405 0.678 1.00 0.00 O ATOM 825 CB ARG A 53 12.533 0.436 3.029 1.00 0.00 C ATOM 826 CG ARG A 53 13.917 0.262 2.400 1.00 0.00 C ATOM 827 CD ARG A 53 13.766 -0.203 0.947 1.00 0.00 C ATOM 828 NE ARG A 53 15.122 0.003 0.359 1.00 0.00 N ATOM 829 CZ ARG A 53 15.336 0.984 -0.480 1.00 0.00 C ATOM 830 NH1 ARG A 53 15.111 2.220 -0.116 1.00 0.00 N ATOM 831 NH2 ARG A 53 15.780 0.727 -1.684 1.00 0.00 N ATOM 0 H ARG A 53 10.809 1.177 4.524 1.00 0.00 H new ATOM 0 HA ARG A 53 13.005 2.557 3.214 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.537 0.054 4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.796 -0.145 2.475 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.465 1.203 2.436 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.497 -0.466 2.967 1.00 0.00 H new ATOM 0 HD2 ARG A 53 13.462 -1.248 0.892 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.010 0.377 0.419 1.00 0.00 H new ATOM 0 HE ARG A 53 15.886 -0.624 0.612 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.768 2.421 0.823 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.279 2.983 -0.772 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.959 -0.237 -1.967 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.947 1.490 -2.340 1.00 0.00 H new ATOM 845 N GLN A 54 10.280 2.597 1.600 1.00 0.00 N ATOM 846 CA GLN A 54 9.646 3.010 0.313 1.00 0.00 C ATOM 847 C GLN A 54 10.173 4.385 -0.108 1.00 0.00 C ATOM 848 O GLN A 54 10.446 4.622 -1.269 1.00 0.00 O ATOM 849 CB GLN A 54 8.135 3.089 0.593 1.00 0.00 C ATOM 850 CG GLN A 54 7.660 1.875 1.409 1.00 0.00 C ATOM 851 CD GLN A 54 7.099 2.332 2.758 1.00 0.00 C ATOM 852 OE1 GLN A 54 6.359 3.293 2.832 1.00 0.00 O ATOM 853 NE2 GLN A 54 7.421 1.674 3.839 1.00 0.00 N ATOM 0 H GLN A 54 9.643 2.549 2.395 1.00 0.00 H new ATOM 0 HA GLN A 54 9.869 2.308 -0.490 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.910 4.007 1.136 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.589 3.134 -0.349 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.895 1.331 0.854 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.490 1.186 1.566 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.042 0.867 3.779 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.051 1.967 4.743 1.00 0.00 H new ATOM 862 N ARG A 55 10.311 5.290 0.839 1.00 0.00 N ATOM 863 CA ARG A 55 10.814 6.668 0.527 1.00 0.00 C ATOM 864 C ARG A 55 9.902 7.353 -0.504 1.00 0.00 C ATOM 865 O ARG A 55 10.343 8.173 -1.288 1.00 0.00 O ATOM 866 CB ARG A 55 12.228 6.471 -0.030 1.00 0.00 C ATOM 867 CG ARG A 55 13.140 5.920 1.071 1.00 0.00 C ATOM 868 CD ARG A 55 14.459 5.439 0.460 1.00 0.00 C ATOM 869 NE ARG A 55 15.141 6.687 0.001 1.00 0.00 N ATOM 870 CZ ARG A 55 16.215 6.610 -0.741 1.00 0.00 C ATOM 871 NH1 ARG A 55 16.172 5.993 -1.894 1.00 0.00 N ATOM 872 NH2 ARG A 55 17.332 7.153 -0.330 1.00 0.00 N ATOM 0 H ARG A 55 10.094 5.129 1.823 1.00 0.00 H new ATOM 0 HA ARG A 55 10.820 7.310 1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 55 12.205 5.783 -0.875 1.00 0.00 H new ATOM 0 HB3 ARG A 55 12.619 7.418 -0.401 1.00 0.00 H new ATOM 0 HG2 ARG A 55 13.334 6.692 1.816 1.00 0.00 H new ATOM 0 HG3 ARG A 55 12.646 5.097 1.587 1.00 0.00 H new ATOM 0 HD2 ARG A 55 15.063 4.904 1.193 1.00 0.00 H new ATOM 0 HD3 ARG A 55 14.285 4.755 -0.370 1.00 0.00 H new ATOM 0 HE ARG A 55 14.769 7.599 0.266 1.00 0.00 H new ATOM 0 HH11 ARG A 55 15.300 5.572 -2.215 1.00 0.00 H new ATOM 0 HH12 ARG A 55 17.010 5.933 -2.472 1.00 0.00 H new ATOM 0 HH21 ARG A 55 17.364 7.636 0.568 1.00 0.00 H new ATOM 0 HH22 ARG A 55 18.171 7.094 -0.908 1.00 0.00 H new ATOM 886 N ARG A 56 8.630 7.023 -0.499 1.00 0.00 N ATOM 887 CA ARG A 56 7.674 7.645 -1.466 1.00 0.00 C ATOM 888 C ARG A 56 6.225 7.373 -1.037 1.00 0.00 C ATOM 889 O ARG A 56 5.353 7.169 -1.861 1.00 0.00 O ATOM 890 CB ARG A 56 7.973 6.980 -2.812 1.00 0.00 C ATOM 891 CG ARG A 56 7.520 5.519 -2.777 1.00 0.00 C ATOM 892 CD ARG A 56 8.419 4.691 -3.689 1.00 0.00 C ATOM 893 NE ARG A 56 7.516 3.641 -4.234 1.00 0.00 N ATOM 894 CZ ARG A 56 8.018 2.535 -4.714 1.00 0.00 C ATOM 895 NH1 ARG A 56 8.482 2.508 -5.936 1.00 0.00 N ATOM 896 NH2 ARG A 56 8.059 1.460 -3.972 1.00 0.00 N ATOM 0 H ARG A 56 8.213 6.345 0.139 1.00 0.00 H new ATOM 0 HA ARG A 56 7.789 8.728 -1.515 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.459 7.511 -3.613 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.040 7.035 -3.027 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.566 5.136 -1.757 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.482 5.440 -3.101 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.848 5.300 -4.485 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.252 4.254 -3.138 1.00 0.00 H new ATOM 0 HE ARG A 56 6.506 3.785 -4.233 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.451 3.349 -6.512 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.875 1.646 -6.313 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.699 1.485 -3.018 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.451 0.596 -4.347 1.00 0.00 H new ATOM 910 N ARG A 57 5.964 7.373 0.246 1.00 0.00 N ATOM 911 CA ARG A 57 4.575 7.119 0.735 1.00 0.00 C ATOM 912 C ARG A 57 3.586 8.151 0.160 1.00 0.00 C ATOM 913 O ARG A 57 2.505 7.782 -0.251 1.00 0.00 O ATOM 914 CB ARG A 57 4.652 7.231 2.259 1.00 0.00 C ATOM 915 CG ARG A 57 3.423 6.562 2.881 1.00 0.00 C ATOM 916 CD ARG A 57 3.544 5.041 2.745 1.00 0.00 C ATOM 917 NE ARG A 57 2.886 4.508 3.973 1.00 0.00 N ATOM 918 CZ ARG A 57 3.595 4.252 5.041 1.00 0.00 C ATOM 919 NH1 ARG A 57 4.169 3.085 5.179 1.00 0.00 N ATOM 920 NH2 ARG A 57 3.730 5.164 5.970 1.00 0.00 N ATOM 0 H ARG A 57 6.655 7.538 0.978 1.00 0.00 H new ATOM 0 HA ARG A 57 4.213 6.141 0.418 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.562 6.755 2.624 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.699 8.279 2.556 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.339 6.838 3.932 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.517 6.911 2.386 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.051 4.682 1.842 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.587 4.729 2.685 1.00 0.00 H new ATOM 0 HE ARG A 57 1.879 4.343 3.979 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.063 2.376 4.454 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.722 2.884 6.012 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.282 6.074 5.860 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.283 4.965 6.804 1.00 0.00 H new ATOM 934 N PRO A 58 3.980 9.413 0.139 1.00 0.00 N ATOM 935 CA PRO A 58 3.089 10.473 -0.405 1.00 0.00 C ATOM 936 C PRO A 58 2.951 10.352 -1.934 1.00 0.00 C ATOM 937 O PRO A 58 1.999 10.843 -2.509 1.00 0.00 O ATOM 938 CB PRO A 58 3.790 11.773 -0.022 1.00 0.00 C ATOM 939 CG PRO A 58 5.227 11.394 0.125 1.00 0.00 C ATOM 940 CD PRO A 58 5.262 9.969 0.611 1.00 0.00 C ATOM 0 HA PRO A 58 2.075 10.409 -0.011 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.657 12.536 -0.789 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.390 12.181 0.906 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.750 11.489 -0.827 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.729 12.054 0.832 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.112 9.425 0.198 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.347 9.917 1.696 1.00 0.00 H new ATOM 948 N SER A 59 3.884 9.701 -2.593 1.00 0.00 N ATOM 949 CA SER A 59 3.790 9.550 -4.077 1.00 0.00 C ATOM 950 C SER A 59 3.136 8.209 -4.426 1.00 0.00 C ATOM 951 O SER A 59 3.326 7.225 -3.736 1.00 0.00 O ATOM 952 CB SER A 59 5.237 9.590 -4.578 1.00 0.00 C ATOM 953 OG SER A 59 5.736 10.917 -4.485 1.00 0.00 O ATOM 0 H SER A 59 4.703 9.270 -2.165 1.00 0.00 H new ATOM 0 HA SER A 59 3.183 10.331 -4.535 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.856 8.915 -3.987 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.285 9.244 -5.611 1.00 0.00 H new ATOM 0 HG SER A 59 6.662 10.941 -4.804 1.00 0.00 H new ATOM 959 N GLN A 60 2.368 8.160 -5.488 1.00 0.00 N ATOM 960 CA GLN A 60 1.704 6.877 -5.874 1.00 0.00 C ATOM 961 C GLN A 60 1.504 6.789 -7.399 1.00 0.00 C ATOM 962 O GLN A 60 1.792 5.777 -8.010 1.00 0.00 O ATOM 963 CB GLN A 60 0.364 6.856 -5.106 1.00 0.00 C ATOM 964 CG GLN A 60 -0.687 7.783 -5.731 1.00 0.00 C ATOM 965 CD GLN A 60 -0.370 9.258 -5.439 1.00 0.00 C ATOM 966 OE1 GLN A 60 0.158 9.598 -4.296 1.00 0.00 O flip ATOM 967 NE2 GLN A 60 -0.606 10.112 -6.271 1.00 0.00 N flip ATOM 0 H GLN A 60 2.173 8.951 -6.102 1.00 0.00 H new ATOM 0 HA GLN A 60 2.313 6.011 -5.616 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.022 5.837 -5.084 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.537 7.154 -4.072 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.723 7.622 -6.808 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.673 7.536 -5.339 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.019 9.851 -7.167 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.391 11.089 -6.074 1.00 0.00 H new ATOM 976 N GLY A 61 0.993 7.828 -8.008 1.00 0.00 N ATOM 977 CA GLY A 61 0.743 7.815 -9.474 1.00 0.00 C ATOM 978 C GLY A 61 -0.651 7.248 -9.664 1.00 0.00 C ATOM 979 O GLY A 61 -0.866 6.344 -10.449 1.00 0.00 O ATOM 0 H GLY A 61 0.736 8.697 -7.540 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.814 8.820 -9.889 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.484 7.204 -9.989 1.00 0.00 H new ATOM 983 N GLY A 62 -1.595 7.750 -8.900 1.00 0.00 N ATOM 984 CA GLY A 62 -2.975 7.216 -8.969 1.00 0.00 C ATOM 985 C GLY A 62 -2.896 5.714 -8.689 1.00 0.00 C ATOM 986 O GLY A 62 -3.668 4.938 -9.221 1.00 0.00 O ATOM 0 H GLY A 62 -1.458 8.509 -8.233 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.615 7.710 -8.238 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.410 7.402 -9.951 1.00 0.00 H new ATOM 990 N GLN A 63 -1.948 5.289 -7.872 1.00 0.00 N ATOM 991 CA GLN A 63 -1.820 3.841 -7.595 1.00 0.00 C ATOM 992 C GLN A 63 -2.787 3.398 -6.500 1.00 0.00 C ATOM 993 O GLN A 63 -2.846 2.235 -6.163 1.00 0.00 O ATOM 994 CB GLN A 63 -0.383 3.643 -7.124 1.00 0.00 C ATOM 995 CG GLN A 63 -0.120 2.157 -6.888 1.00 0.00 C ATOM 996 CD GLN A 63 0.872 1.632 -7.925 1.00 0.00 C ATOM 997 OE1 GLN A 63 0.419 1.032 -8.991 1.00 0.00 O flip ATOM 998 NE2 GLN A 63 2.069 1.767 -7.764 1.00 0.00 N flip ATOM 0 H GLN A 63 -1.272 5.887 -7.397 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.055 3.251 -8.481 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.311 4.031 -7.869 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.211 4.203 -6.205 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.276 2.004 -5.884 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.054 1.599 -6.951 1.00 0.00 H new ATOM 0 HE21 GLN A 63 2.422 2.236 -6.930 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.721 1.411 -8.463 1.00 0.00 H new ATOM 1007 N THR A 64 -3.499 4.315 -5.894 1.00 0.00 N ATOM 1008 CA THR A 64 -4.393 3.925 -4.765 1.00 0.00 C ATOM 1009 C THR A 64 -3.477 3.361 -3.674 1.00 0.00 C ATOM 1010 O THR A 64 -3.665 2.273 -3.167 1.00 0.00 O ATOM 1011 CB THR A 64 -5.355 2.863 -5.307 1.00 0.00 C ATOM 1012 OG1 THR A 64 -5.850 3.261 -6.578 1.00 0.00 O ATOM 1013 CG2 THR A 64 -6.521 2.687 -4.335 1.00 0.00 C ATOM 0 H THR A 64 -3.500 5.307 -6.130 1.00 0.00 H new ATOM 0 HA THR A 64 -4.979 4.748 -4.355 1.00 0.00 H new ATOM 0 HB THR A 64 -4.822 1.918 -5.412 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.291 4.133 -6.499 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.205 1.931 -4.721 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.141 2.370 -3.364 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.050 3.634 -4.226 1.00 0.00 H new ATOM 1021 N HIS A 65 -2.448 4.118 -3.364 1.00 0.00 N ATOM 1022 CA HIS A 65 -1.417 3.707 -2.360 1.00 0.00 C ATOM 1023 C HIS A 65 -1.928 3.780 -0.897 1.00 0.00 C ATOM 1024 O HIS A 65 -1.139 3.729 0.025 1.00 0.00 O ATOM 1025 CB HIS A 65 -0.285 4.711 -2.591 1.00 0.00 C ATOM 1026 CG HIS A 65 0.837 4.114 -3.395 1.00 0.00 C ATOM 1027 ND1 HIS A 65 1.959 4.846 -3.735 1.00 0.00 N ATOM 1028 CD2 HIS A 65 1.016 2.881 -3.959 1.00 0.00 C ATOM 1029 CE1 HIS A 65 2.749 4.057 -4.484 1.00 0.00 C ATOM 1030 NE2 HIS A 65 2.221 2.846 -4.650 1.00 0.00 N ATOM 0 H HIS A 65 -2.278 5.033 -3.781 1.00 0.00 H new ATOM 0 HA HIS A 65 -1.120 2.666 -2.489 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.676 5.587 -3.108 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.099 5.053 -1.630 1.00 0.00 H new ATOM 0 HD1 HIS A 65 2.153 5.811 -3.466 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.323 2.056 -3.879 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.696 4.367 -4.900 1.00 0.00 H new ATOM 1038 N GLN A 66 -3.233 3.846 -0.689 1.00 0.00 N ATOM 1039 CA GLN A 66 -3.831 3.862 0.697 1.00 0.00 C ATOM 1040 C GLN A 66 -3.431 5.088 1.535 1.00 0.00 C ATOM 1041 O GLN A 66 -4.275 5.842 1.964 1.00 0.00 O ATOM 1042 CB GLN A 66 -3.342 2.578 1.373 1.00 0.00 C ATOM 1043 CG GLN A 66 -3.957 1.357 0.685 1.00 0.00 C ATOM 1044 CD GLN A 66 -2.850 0.579 -0.025 1.00 0.00 C ATOM 1045 OE1 GLN A 66 -2.437 0.978 -1.195 1.00 0.00 O flip ATOM 1046 NE2 GLN A 66 -2.355 -0.404 0.490 1.00 0.00 N flip ATOM 0 H GLN A 66 -3.922 3.890 -1.440 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.917 3.920 0.621 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.254 2.523 1.325 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.614 2.587 2.428 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.454 0.722 1.418 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.716 1.671 -0.031 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.677 -0.717 1.406 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.617 -0.916 0.007 1.00 0.00 H new ATOM 1055 N ASP A 67 -2.169 5.264 1.813 1.00 0.00 N ATOM 1056 CA ASP A 67 -1.732 6.410 2.672 1.00 0.00 C ATOM 1057 C ASP A 67 -1.758 7.764 1.929 1.00 0.00 C ATOM 1058 O ASP A 67 -2.183 8.752 2.496 1.00 0.00 O ATOM 1059 CB ASP A 67 -0.299 6.048 3.083 1.00 0.00 C ATOM 1060 CG ASP A 67 0.315 7.171 3.928 1.00 0.00 C ATOM 1061 OD1 ASP A 67 0.764 8.147 3.349 1.00 0.00 O ATOM 1062 OD2 ASP A 67 0.331 7.029 5.140 1.00 0.00 O ATOM 0 H ASP A 67 -1.415 4.662 1.482 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.405 6.544 3.519 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.301 5.117 3.650 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.309 5.879 2.194 1.00 0.00 H new ATOM 1067 N PRO A 68 -1.274 7.789 0.706 1.00 0.00 N ATOM 1068 CA PRO A 68 -1.225 9.063 -0.059 1.00 0.00 C ATOM 1069 C PRO A 68 -2.581 9.446 -0.679 1.00 0.00 C ATOM 1070 O PRO A 68 -2.902 10.615 -0.778 1.00 0.00 O ATOM 1071 CB PRO A 68 -0.221 8.776 -1.163 1.00 0.00 C ATOM 1072 CG PRO A 68 -0.266 7.291 -1.354 1.00 0.00 C ATOM 1073 CD PRO A 68 -0.734 6.663 -0.068 1.00 0.00 C ATOM 0 HA PRO A 68 -0.959 9.900 0.587 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.485 9.300 -2.082 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.779 9.107 -0.883 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.941 7.033 -2.170 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.720 6.913 -1.624 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.494 5.903 -0.249 1.00 0.00 H new ATOM 0 HD3 PRO A 68 0.086 6.174 0.458 1.00 0.00 H new ATOM 1081 N ILE A 69 -3.361 8.490 -1.134 1.00 0.00 N ATOM 1082 CA ILE A 69 -4.669 8.844 -1.786 1.00 0.00 C ATOM 1083 C ILE A 69 -5.871 8.132 -1.120 1.00 0.00 C ATOM 1084 O ILE A 69 -6.761 7.659 -1.803 1.00 0.00 O ATOM 1085 CB ILE A 69 -4.498 8.427 -3.278 1.00 0.00 C ATOM 1086 CG1 ILE A 69 -4.869 6.951 -3.514 1.00 0.00 C ATOM 1087 CG2 ILE A 69 -3.043 8.632 -3.714 1.00 0.00 C ATOM 1088 CD1 ILE A 69 -4.286 6.065 -2.415 1.00 0.00 C ATOM 0 H ILE A 69 -3.154 7.493 -1.084 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.893 9.906 -1.683 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.172 9.054 -3.863 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.953 6.843 -3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.495 6.628 -4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.931 8.338 -4.758 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.774 9.682 -3.602 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.388 8.021 -3.093 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.560 5.027 -2.601 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.200 6.158 -2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.681 6.377 -1.448 1.00 0.00 H new ATOM 1100 N PRO A 70 -5.885 8.094 0.198 1.00 0.00 N ATOM 1101 CA PRO A 70 -7.012 7.442 0.918 1.00 0.00 C ATOM 1102 C PRO A 70 -8.309 8.242 0.745 1.00 0.00 C ATOM 1103 O PRO A 70 -9.384 7.769 1.061 1.00 0.00 O ATOM 1104 CB PRO A 70 -6.567 7.451 2.378 1.00 0.00 C ATOM 1105 CG PRO A 70 -5.595 8.586 2.458 1.00 0.00 C ATOM 1106 CD PRO A 70 -4.888 8.643 1.129 1.00 0.00 C ATOM 0 HA PRO A 70 -7.223 6.440 0.545 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.411 7.601 3.051 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.100 6.507 2.658 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -6.111 9.524 2.663 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.883 8.430 3.269 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.608 9.663 0.865 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -3.972 8.052 1.134 1.00 0.00 H new ATOM 1114 N LYS A 71 -8.213 9.446 0.246 1.00 0.00 N ATOM 1115 CA LYS A 71 -9.435 10.279 0.050 1.00 0.00 C ATOM 1116 C LYS A 71 -10.104 9.940 -1.292 1.00 0.00 C ATOM 1117 O LYS A 71 -11.316 9.957 -1.405 1.00 0.00 O ATOM 1118 CB LYS A 71 -8.952 11.741 0.082 1.00 0.00 C ATOM 1119 CG LYS A 71 -7.885 11.989 -0.994 1.00 0.00 C ATOM 1120 CD LYS A 71 -6.730 12.810 -0.415 1.00 0.00 C ATOM 1121 CE LYS A 71 -5.814 11.900 0.409 1.00 0.00 C ATOM 1122 NZ LYS A 71 -4.715 12.798 0.869 1.00 0.00 N ATOM 0 H LYS A 71 -7.338 9.889 -0.035 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.182 10.096 0.822 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.797 12.411 -0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.543 11.972 1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.511 11.037 -1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.327 12.516 -1.840 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.164 13.279 -1.220 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.119 13.613 0.211 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.346 11.459 1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.429 11.076 -0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.039 12.254 1.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.225 13.198 0.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.114 13.569 1.442 1.00 0.00 H new ATOM 1136 N GLN A 72 -9.326 9.641 -2.311 1.00 0.00 N ATOM 1137 CA GLN A 72 -9.914 9.314 -3.648 1.00 0.00 C ATOM 1138 C GLN A 72 -8.826 8.776 -4.587 1.00 0.00 C ATOM 1139 O GLN A 72 -7.653 8.840 -4.273 1.00 0.00 O ATOM 1140 CB GLN A 72 -10.469 10.642 -4.203 1.00 0.00 C ATOM 1141 CG GLN A 72 -9.777 11.857 -3.559 1.00 0.00 C ATOM 1142 CD GLN A 72 -8.447 12.165 -4.261 1.00 0.00 C ATOM 1143 OE1 GLN A 72 -7.369 11.456 -3.990 1.00 0.00 O flip ATOM 1144 NE2 GLN A 72 -8.380 13.075 -5.061 1.00 0.00 N flip ATOM 0 H GLN A 72 -8.307 9.610 -2.270 1.00 0.00 H new ATOM 0 HA GLN A 72 -10.689 8.552 -3.566 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.329 10.673 -5.283 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -11.542 10.694 -4.019 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.432 12.726 -3.615 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.598 11.661 -2.502 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -9.210 13.628 -5.275 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.494 13.287 -5.519 1.00 0.00 H new ATOM 1153 N PRO A 73 -9.247 8.288 -5.729 1.00 0.00 N ATOM 1154 CA PRO A 73 -8.279 7.781 -6.730 1.00 0.00 C ATOM 1155 C PRO A 73 -7.479 8.968 -7.289 1.00 0.00 C ATOM 1156 O PRO A 73 -6.265 8.938 -7.346 1.00 0.00 O ATOM 1157 CB PRO A 73 -9.162 7.136 -7.794 1.00 0.00 C ATOM 1158 CG PRO A 73 -10.479 7.832 -7.653 1.00 0.00 C ATOM 1159 CD PRO A 73 -10.637 8.162 -6.192 1.00 0.00 C ATOM 0 HA PRO A 73 -7.551 7.073 -6.335 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.745 7.271 -8.792 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.260 6.063 -7.632 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -10.506 8.737 -8.260 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.293 7.194 -7.996 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.197 9.086 -6.045 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.171 7.377 -5.656 1.00 0.00 H new ATOM 1167 N SER A 74 -8.167 10.027 -7.663 1.00 0.00 N ATOM 1168 CA SER A 74 -7.487 11.255 -8.187 1.00 0.00 C ATOM 1169 C SER A 74 -6.546 10.933 -9.354 1.00 0.00 C ATOM 1170 O SER A 74 -5.483 11.513 -9.480 1.00 0.00 O ATOM 1171 CB SER A 74 -6.706 11.798 -6.988 1.00 0.00 C ATOM 1172 OG SER A 74 -6.625 13.214 -7.076 1.00 0.00 O ATOM 0 H SER A 74 -9.184 10.090 -7.626 1.00 0.00 H new ATOM 0 HA SER A 74 -8.202 11.975 -8.584 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.198 11.508 -6.059 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.705 11.367 -6.967 1.00 0.00 H new ATOM 0 HG SER A 74 -6.199 13.465 -7.922 1.00 0.00 H new ATOM 1178 N SER A 75 -6.940 10.024 -10.210 1.00 0.00 N ATOM 1179 CA SER A 75 -6.088 9.650 -11.388 1.00 0.00 C ATOM 1180 C SER A 75 -6.696 8.455 -12.149 1.00 0.00 C ATOM 1181 O SER A 75 -6.461 8.286 -13.328 1.00 0.00 O ATOM 1182 CB SER A 75 -4.724 9.268 -10.800 1.00 0.00 C ATOM 1183 OG SER A 75 -3.723 10.124 -11.333 1.00 0.00 O ATOM 0 H SER A 75 -7.824 9.518 -10.145 1.00 0.00 H new ATOM 0 HA SER A 75 -6.011 10.470 -12.102 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.748 9.351 -9.713 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.492 8.229 -11.035 1.00 0.00 H new ATOM 0 HG SER A 75 -3.832 11.025 -10.963 1.00 0.00 H new ATOM 1189 N GLN A 76 -7.467 7.625 -11.483 1.00 0.00 N ATOM 1190 CA GLN A 76 -8.085 6.445 -12.157 1.00 0.00 C ATOM 1191 C GLN A 76 -9.496 6.756 -12.715 1.00 0.00 C ATOM 1192 O GLN A 76 -9.910 6.114 -13.662 1.00 0.00 O ATOM 1193 CB GLN A 76 -8.156 5.377 -11.069 1.00 0.00 C ATOM 1194 CG GLN A 76 -6.744 5.063 -10.554 1.00 0.00 C ATOM 1195 CD GLN A 76 -6.560 5.658 -9.157 1.00 0.00 C ATOM 1196 OE1 GLN A 76 -7.015 5.102 -8.179 1.00 0.00 O ATOM 1197 NE2 GLN A 76 -5.903 6.772 -9.022 1.00 0.00 N ATOM 0 H GLN A 76 -7.694 7.719 -10.493 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.500 6.131 -13.022 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.784 5.723 -10.248 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.618 4.472 -11.464 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.589 3.984 -10.524 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.999 5.473 -11.235 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.520 7.241 -9.843 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.771 7.177 -8.095 1.00 0.00 H new ATOM 1206 N PRO A 77 -10.203 7.726 -12.142 1.00 0.00 N ATOM 1207 CA PRO A 77 -11.556 8.057 -12.657 1.00 0.00 C ATOM 1208 C PRO A 77 -11.445 8.848 -13.967 1.00 0.00 C ATOM 1209 O PRO A 77 -12.367 8.885 -14.759 1.00 0.00 O ATOM 1210 CB PRO A 77 -12.167 8.927 -11.562 1.00 0.00 C ATOM 1211 CG PRO A 77 -10.997 9.534 -10.859 1.00 0.00 C ATOM 1212 CD PRO A 77 -9.835 8.587 -11.004 1.00 0.00 C ATOM 0 HA PRO A 77 -12.154 7.172 -12.873 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -12.817 9.694 -11.983 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -12.775 8.334 -10.879 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -10.754 10.506 -11.289 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -11.227 9.699 -9.806 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.906 9.124 -11.196 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.683 8.003 -10.097 1.00 0.00 H new ATOM 1220 N ARG A 78 -10.322 9.488 -14.185 1.00 0.00 N ATOM 1221 CA ARG A 78 -10.130 10.295 -15.427 1.00 0.00 C ATOM 1222 C ARG A 78 -8.871 9.849 -16.188 1.00 0.00 C ATOM 1223 O ARG A 78 -8.828 9.903 -17.403 1.00 0.00 O ATOM 1224 CB ARG A 78 -9.975 11.738 -14.928 1.00 0.00 C ATOM 1225 CG ARG A 78 -8.736 11.851 -14.026 1.00 0.00 C ATOM 1226 CD ARG A 78 -8.743 13.201 -13.307 1.00 0.00 C ATOM 1227 NE ARG A 78 -7.498 13.186 -12.486 1.00 0.00 N ATOM 1228 CZ ARG A 78 -7.212 14.200 -11.713 1.00 0.00 C ATOM 1229 NH1 ARG A 78 -6.579 15.235 -12.202 1.00 0.00 N ATOM 1230 NH2 ARG A 78 -7.559 14.176 -10.451 1.00 0.00 N ATOM 0 H ARG A 78 -9.524 9.485 -13.549 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.962 10.180 -16.122 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.881 12.417 -15.776 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.866 12.039 -14.376 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.729 11.040 -13.298 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.829 11.751 -14.623 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.743 14.029 -14.016 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.630 13.315 -12.683 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.869 12.384 -12.528 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.309 15.250 -13.186 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.355 16.027 -11.600 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.052 13.367 -10.073 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.337 14.966 -9.846 1.00 0.00 H new ATOM 1244 N GLY A 79 -7.846 9.420 -15.487 1.00 0.00 N ATOM 1245 CA GLY A 79 -6.594 8.984 -16.169 1.00 0.00 C ATOM 1246 C GLY A 79 -6.710 7.511 -16.563 1.00 0.00 C ATOM 1247 O GLY A 79 -7.574 7.133 -17.332 1.00 0.00 O ATOM 0 H GLY A 79 -7.827 9.355 -14.469 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.419 9.595 -17.055 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.739 9.128 -15.508 1.00 0.00 H new ATOM 1251 N ASP A 80 -5.845 6.680 -16.041 1.00 0.00 N ATOM 1252 CA ASP A 80 -5.895 5.225 -16.380 1.00 0.00 C ATOM 1253 C ASP A 80 -7.034 4.546 -15.608 1.00 0.00 C ATOM 1254 O ASP A 80 -7.001 4.478 -14.393 1.00 0.00 O ATOM 1255 CB ASP A 80 -4.539 4.660 -15.945 1.00 0.00 C ATOM 1256 CG ASP A 80 -3.439 5.181 -16.876 1.00 0.00 C ATOM 1257 OD1 ASP A 80 -2.890 6.231 -16.582 1.00 0.00 O ATOM 1258 OD2 ASP A 80 -3.165 4.523 -17.866 1.00 0.00 O ATOM 0 H ASP A 80 -5.104 6.947 -15.393 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.079 5.055 -17.441 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.326 4.951 -14.916 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.563 3.571 -15.969 1.00 0.00 H new ATOM 1263 N PRO A 81 -8.011 4.061 -16.341 1.00 0.00 N ATOM 1264 CA PRO A 81 -9.171 3.380 -15.709 1.00 0.00 C ATOM 1265 C PRO A 81 -8.723 2.059 -15.074 1.00 0.00 C ATOM 1266 O PRO A 81 -8.397 1.111 -15.765 1.00 0.00 O ATOM 1267 CB PRO A 81 -10.126 3.139 -16.876 1.00 0.00 C ATOM 1268 CG PRO A 81 -9.240 3.119 -18.081 1.00 0.00 C ATOM 1269 CD PRO A 81 -8.125 4.094 -17.807 1.00 0.00 C ATOM 0 HA PRO A 81 -9.633 3.959 -14.909 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.664 2.198 -16.762 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.875 3.928 -16.946 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.846 2.118 -18.256 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.794 3.404 -18.975 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.196 3.792 -18.291 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.364 5.093 -18.171 1.00 0.00 H new ATOM 1277 N THR A 82 -8.690 1.996 -13.766 1.00 0.00 N ATOM 1278 CA THR A 82 -8.244 0.736 -13.095 1.00 0.00 C ATOM 1279 C THR A 82 -9.398 -0.267 -13.020 1.00 0.00 C ATOM 1280 O THR A 82 -9.257 -1.407 -13.422 1.00 0.00 O ATOM 1281 CB THR A 82 -7.786 1.128 -11.683 1.00 0.00 C ATOM 1282 OG1 THR A 82 -7.277 2.457 -11.693 1.00 0.00 O ATOM 1283 CG2 THR A 82 -6.684 0.172 -11.226 1.00 0.00 C ATOM 0 H THR A 82 -8.950 2.756 -13.138 1.00 0.00 H new ATOM 0 HA THR A 82 -7.436 0.262 -13.652 1.00 0.00 H new ATOM 0 HB THR A 82 -8.634 1.070 -11.001 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.315 2.437 -11.878 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.356 0.447 -10.224 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.069 -0.848 -11.215 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.840 0.234 -11.913 1.00 0.00 H new ATOM 1291 N GLY A 83 -10.534 0.139 -12.504 1.00 0.00 N ATOM 1292 CA GLY A 83 -11.679 -0.809 -12.405 1.00 0.00 C ATOM 1293 C GLY A 83 -13.011 -0.050 -12.310 1.00 0.00 C ATOM 1294 O GLY A 83 -13.563 0.353 -13.315 1.00 0.00 O ATOM 0 H GLY A 83 -10.713 1.079 -12.151 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -11.690 -1.464 -13.276 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.555 -1.445 -11.529 1.00 0.00 H new ATOM 1298 N PRO A 84 -13.501 0.089 -11.099 1.00 0.00 N ATOM 1299 CA PRO A 84 -14.793 0.760 -10.852 1.00 0.00 C ATOM 1300 C PRO A 84 -14.625 2.231 -10.434 1.00 0.00 C ATOM 1301 O PRO A 84 -15.593 2.893 -10.107 1.00 0.00 O ATOM 1302 CB PRO A 84 -15.353 -0.056 -9.692 1.00 0.00 C ATOM 1303 CG PRO A 84 -14.145 -0.651 -9.001 1.00 0.00 C ATOM 1304 CD PRO A 84 -12.920 -0.364 -9.842 1.00 0.00 C ATOM 0 HA PRO A 84 -15.425 0.794 -11.739 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.926 0.572 -9.010 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.026 -0.836 -10.049 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -14.029 -0.223 -8.005 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -14.273 -1.726 -8.873 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -12.286 0.399 -9.389 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -12.303 -1.252 -9.977 1.00 0.00 H new ATOM 1312 N LYS A 85 -13.423 2.754 -10.440 1.00 0.00 N ATOM 1313 CA LYS A 85 -13.230 4.187 -10.039 1.00 0.00 C ATOM 1314 C LYS A 85 -13.445 5.124 -11.235 1.00 0.00 C ATOM 1315 O LYS A 85 -13.249 6.315 -11.126 1.00 0.00 O ATOM 1316 CB LYS A 85 -11.780 4.289 -9.559 1.00 0.00 C ATOM 1317 CG LYS A 85 -10.836 3.996 -10.721 1.00 0.00 C ATOM 1318 CD LYS A 85 -9.935 2.819 -10.351 1.00 0.00 C ATOM 1319 CE LYS A 85 -9.024 3.209 -9.180 1.00 0.00 C ATOM 1320 NZ LYS A 85 -9.133 2.075 -8.219 1.00 0.00 N ATOM 0 H LYS A 85 -12.572 2.257 -10.703 1.00 0.00 H new ATOM 0 HA LYS A 85 -13.943 4.479 -9.268 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.587 5.286 -9.162 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.604 3.583 -8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.407 3.764 -11.620 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.232 4.875 -10.945 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -10.542 1.956 -10.079 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.332 2.526 -11.211 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.995 3.351 -9.510 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.345 4.146 -8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.699 2.369 -7.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.594 1.268 -8.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.183 1.796 -7.902 1.00 0.00 H new ATOM 1334 N GLU A 86 -13.835 4.601 -12.373 1.00 0.00 N ATOM 1335 CA GLU A 86 -14.043 5.472 -13.570 1.00 0.00 C ATOM 1336 C GLU A 86 -15.301 6.333 -13.397 1.00 0.00 C ATOM 1337 O GLU A 86 -16.359 5.770 -13.157 1.00 0.00 O ATOM 1338 CB GLU A 86 -14.217 4.499 -14.741 1.00 0.00 C ATOM 1339 CG GLU A 86 -12.923 3.709 -14.950 1.00 0.00 C ATOM 1340 CD GLU A 86 -13.093 2.745 -16.128 1.00 0.00 C ATOM 1341 OE1 GLU A 86 -13.278 3.219 -17.237 1.00 0.00 O ATOM 1342 OE2 GLU A 86 -13.032 1.548 -15.900 1.00 0.00 O ATOM 1343 OXT GLU A 86 -15.184 7.543 -13.504 1.00 0.00 O ATOM 0 H GLU A 86 -14.018 3.609 -12.523 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.211 6.159 -13.726 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -15.043 3.817 -14.540 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.470 5.048 -15.648 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.095 4.392 -15.143 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.674 3.154 -14.046 1.00 0.00 H new TER 1350 GLU A 86