USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=29 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 60 GLN : amide:sc= -0.0295 X(o=0.62,f=0.51) USER MOD Set 1.2: A 74 SER OG : rot 165:sc= 0.649 USER MOD Set 2.1: A 64 THR OG1 : rot 135:sc= 1.22 USER MOD Set 2.2: A 76 GLN : amide:sc= -2.56! K(o=-1.3!,f=-2.3) USER MOD Set 3.1: A 63 GLN :FLIP amide:sc= -0.299 F(o=-11,f=-7.5) USER MOD Set 3.2: A 65 HIS :FLIP no HD1:sc= -7.2! C(o=-11!,f=-7.5!) USER MOD Set 4.1: A 29 LYS NZ :NH3+ -119:sc= -0.0693 (180deg=-0.949) USER MOD Set 4.2: A 34 CYS SG : rot -56:sc= -3.26! USER MOD Set 5.1: A 26 HIS : no HD1:sc= -11.6! C(o=-12!,f=-12!) USER MOD Set 5.2: A 27 CYS SG : rot 180:sc= 0 USER MOD Set 6.1: A 13 HIS : no HD1:sc= -1.35 X(o=-0.9,f=-1.1) USER MOD Set 6.2: A 28 LYS NZ :NH3+ 141:sc= 0.449 (180deg=0.0954) USER MOD Single : A 1 LEU N :NH3+ -149:sc= 0.035 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.493 K(o=-0.49,f=-3.2) USER MOD Single : A 12 ASN :FLIP amide:sc= -1.28 F(o=-2.9!,f=-1.3) USER MOD Single : A 16 SER OG : rot 180:sc= -1.38 USER MOD Single : A 17 GLN : amide:sc= -0.0567 X(o=-0.057,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.158) USER MOD Single : A 20 THR OG1 : rot 155:sc= 0.81 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -4.02! C(o=-4!,f=-5.5!) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.104 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot -16:sc= 0.0333 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.0088) USER MOD Single : A 35 GLN : amide:sc= -1.04 X(o=-1,f=-1.1) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -177:sc= -2.36 (180deg=-2.49) USER MOD Single : A 46 SER OG : rot 180:sc= -0.879 USER MOD Single : A 47 TYR OH : rot 3:sc= 1.31 USER MOD Single : A 50 LYS NZ :NH3+ -138:sc= -0.0628 (180deg=-0.825) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.52 X(o=-1.5,f=-1.3) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN :FLIP amide:sc= -0.718 F(o=-3.6!,f=-0.72) USER MOD Single : A 71 LYS NZ :NH3+ -116:sc= 0.641 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -3.83! C(o=-3.8!,f=-3.9!) USER MOD Single : A 75 SER OG : rot 150:sc= -0.43 USER MOD Single : A 82 THR OG1 : rot 90:sc= -0.761 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 15.303 -10.465 3.287 1.00 0.00 N ATOM 2 CA LEU A 1 14.134 -9.652 2.832 1.00 0.00 C ATOM 3 C LEU A 1 14.572 -8.217 2.501 1.00 0.00 C ATOM 4 O LEU A 1 15.748 -7.902 2.507 1.00 0.00 O ATOM 5 CB LEU A 1 13.153 -9.665 4.011 1.00 0.00 C ATOM 6 CG LEU A 1 11.719 -9.785 3.483 1.00 0.00 C ATOM 7 CD1 LEU A 1 11.493 -11.029 2.617 1.00 0.00 C ATOM 8 CD2 LEU A 1 10.745 -9.827 4.661 1.00 0.00 C ATOM 0 H1 LEU A 1 15.163 -11.458 3.013 1.00 0.00 H new ATOM 0 H2 LEU A 1 16.171 -10.103 2.844 1.00 0.00 H new ATOM 0 H3 LEU A 1 15.389 -10.400 4.321 1.00 0.00 H new ATOM 0 HA LEU A 1 13.682 -10.055 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 1 13.378 -10.499 4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 1 13.261 -8.752 4.597 1.00 0.00 H new ATOM 0 HG LEU A 1 11.546 -8.913 2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 1 10.458 -11.052 2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 1 12.158 -10.997 1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 1 11.702 -11.924 3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 1 9.725 -9.912 4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 1 10.973 -10.686 5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 1 10.842 -8.912 5.246 1.00 0.00 H new ATOM 22 N ASP A 2 13.626 -7.351 2.210 1.00 0.00 N ATOM 23 CA ASP A 2 13.952 -5.929 1.871 1.00 0.00 C ATOM 24 C ASP A 2 14.915 -5.857 0.672 1.00 0.00 C ATOM 25 O ASP A 2 16.080 -5.539 0.825 1.00 0.00 O ATOM 26 CB ASP A 2 14.593 -5.347 3.138 1.00 0.00 C ATOM 27 CG ASP A 2 14.707 -3.814 3.040 1.00 0.00 C ATOM 28 OD1 ASP A 2 14.169 -3.241 2.103 1.00 0.00 O ATOM 29 OD2 ASP A 2 15.336 -3.238 3.912 1.00 0.00 O ATOM 0 H ASP A 2 12.631 -7.574 2.193 1.00 0.00 H new ATOM 0 HA ASP A 2 13.065 -5.367 1.578 1.00 0.00 H new ATOM 0 HB2 ASP A 2 13.996 -5.617 4.009 1.00 0.00 H new ATOM 0 HB3 ASP A 2 15.582 -5.781 3.283 1.00 0.00 H new ATOM 34 N PRO A 3 14.380 -6.143 -0.493 1.00 0.00 N ATOM 35 CA PRO A 3 15.174 -6.100 -1.736 1.00 0.00 C ATOM 36 C PRO A 3 15.109 -4.679 -2.320 1.00 0.00 C ATOM 37 O PRO A 3 15.947 -3.847 -2.028 1.00 0.00 O ATOM 38 CB PRO A 3 14.470 -7.122 -2.627 1.00 0.00 C ATOM 39 CG PRO A 3 13.054 -7.196 -2.115 1.00 0.00 C ATOM 40 CD PRO A 3 12.992 -6.530 -0.756 1.00 0.00 C ATOM 0 HA PRO A 3 16.232 -6.330 -1.613 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.494 -6.814 -3.672 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.959 -8.095 -2.571 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.375 -6.701 -2.809 1.00 0.00 H new ATOM 0 HG3 PRO A 3 12.733 -8.235 -2.041 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.330 -5.664 -0.765 1.00 0.00 H new ATOM 0 HD3 PRO A 3 12.615 -7.212 0.007 1.00 0.00 H new ATOM 48 N VAL A 4 14.096 -4.383 -3.102 1.00 0.00 N ATOM 49 CA VAL A 4 13.945 -3.005 -3.657 1.00 0.00 C ATOM 50 C VAL A 4 13.528 -2.088 -2.503 1.00 0.00 C ATOM 51 O VAL A 4 14.184 -1.114 -2.185 1.00 0.00 O ATOM 52 CB VAL A 4 12.818 -3.128 -4.695 1.00 0.00 C ATOM 53 CG1 VAL A 4 12.162 -1.796 -5.073 1.00 0.00 C ATOM 54 CG2 VAL A 4 13.349 -3.790 -5.969 1.00 0.00 C ATOM 0 H VAL A 4 13.367 -5.041 -3.378 1.00 0.00 H new ATOM 0 HA VAL A 4 14.851 -2.600 -4.108 1.00 0.00 H new ATOM 0 HB VAL A 4 12.050 -3.737 -4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 4 11.378 -1.973 -5.810 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.728 -1.339 -4.184 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.913 -1.128 -5.495 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.544 -3.873 -6.699 1.00 0.00 H new ATOM 0 HG22 VAL A 4 14.155 -3.185 -6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.728 -4.784 -5.732 1.00 0.00 H new ATOM 64 N ASP A 5 12.453 -2.451 -1.858 1.00 0.00 N ATOM 65 CA ASP A 5 11.938 -1.697 -0.681 1.00 0.00 C ATOM 66 C ASP A 5 10.965 -2.625 0.055 1.00 0.00 C ATOM 67 O ASP A 5 11.258 -3.067 1.148 1.00 0.00 O ATOM 68 CB ASP A 5 11.247 -0.443 -1.234 1.00 0.00 C ATOM 69 CG ASP A 5 12.210 0.748 -1.170 1.00 0.00 C ATOM 70 OD1 ASP A 5 12.731 1.011 -0.098 1.00 0.00 O ATOM 71 OD2 ASP A 5 12.409 1.375 -2.198 1.00 0.00 O ATOM 0 H ASP A 5 11.893 -3.266 -2.108 1.00 0.00 H new ATOM 0 HA ASP A 5 12.712 -1.388 0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 5 10.932 -0.614 -2.264 1.00 0.00 H new ATOM 0 HB3 ASP A 5 10.348 -0.227 -0.657 1.00 0.00 H new ATOM 76 N PRO A 6 9.867 -2.960 -0.595 1.00 0.00 N ATOM 77 CA PRO A 6 8.910 -3.907 -0.020 1.00 0.00 C ATOM 78 C PRO A 6 9.227 -5.292 -0.599 1.00 0.00 C ATOM 79 O PRO A 6 10.238 -5.472 -1.251 1.00 0.00 O ATOM 80 CB PRO A 6 7.569 -3.384 -0.515 1.00 0.00 C ATOM 81 CG PRO A 6 7.885 -2.618 -1.775 1.00 0.00 C ATOM 82 CD PRO A 6 9.390 -2.499 -1.903 1.00 0.00 C ATOM 0 HA PRO A 6 8.931 -3.994 1.066 1.00 0.00 H new ATOM 0 HB2 PRO A 6 6.877 -4.202 -0.714 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.098 -2.742 0.229 1.00 0.00 H new ATOM 0 HG2 PRO A 6 7.471 -3.130 -2.643 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.429 -1.629 -1.741 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.777 -3.116 -2.714 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.698 -1.474 -2.107 1.00 0.00 H new ATOM 90 N ASN A 7 8.392 -6.269 -0.389 1.00 0.00 N ATOM 91 CA ASN A 7 8.695 -7.617 -0.961 1.00 0.00 C ATOM 92 C ASN A 7 8.385 -7.640 -2.463 1.00 0.00 C ATOM 93 O ASN A 7 9.214 -8.024 -3.266 1.00 0.00 O ATOM 94 CB ASN A 7 7.804 -8.602 -0.200 1.00 0.00 C ATOM 95 CG ASN A 7 8.257 -8.676 1.261 1.00 0.00 C ATOM 96 OD1 ASN A 7 9.363 -9.087 1.548 1.00 0.00 O ATOM 97 ND2 ASN A 7 7.442 -8.288 2.204 1.00 0.00 N ATOM 0 H ASN A 7 7.525 -6.200 0.144 1.00 0.00 H new ATOM 0 HA ASN A 7 9.748 -7.876 -0.855 1.00 0.00 H new ATOM 0 HB2 ASN A 7 6.763 -8.283 -0.253 1.00 0.00 H new ATOM 0 HB3 ASN A 7 7.859 -9.589 -0.660 1.00 0.00 H new ATOM 0 HD21 ASN A 7 7.735 -8.330 3.180 1.00 0.00 H new ATOM 0 HD22 ASN A 7 6.513 -7.942 1.965 1.00 0.00 H new ATOM 104 N ILE A 8 7.204 -7.222 -2.843 1.00 0.00 N ATOM 105 CA ILE A 8 6.836 -7.208 -4.298 1.00 0.00 C ATOM 106 C ILE A 8 6.158 -5.878 -4.676 1.00 0.00 C ATOM 107 O ILE A 8 5.535 -5.774 -5.717 1.00 0.00 O ATOM 108 CB ILE A 8 5.870 -8.397 -4.514 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.463 -8.073 -3.969 1.00 0.00 C ATOM 110 CG2 ILE A 8 6.419 -9.661 -3.836 1.00 0.00 C ATOM 111 CD1 ILE A 8 4.463 -7.989 -2.438 1.00 0.00 C ATOM 0 H ILE A 8 6.476 -6.889 -2.211 1.00 0.00 H new ATOM 0 HA ILE A 8 7.720 -7.301 -4.929 1.00 0.00 H new ATOM 0 HB ILE A 8 5.789 -8.575 -5.586 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.118 -7.127 -4.387 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.760 -8.840 -4.293 1.00 0.00 H new ATOM 0 HG21 ILE A 8 5.729 -10.489 -3.997 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.390 -9.910 -4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.528 -9.482 -2.766 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.457 -7.759 -2.086 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.784 -8.944 -2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.148 -7.204 -2.117 1.00 0.00 H new ATOM 123 N GLU A 9 6.268 -4.867 -3.837 1.00 0.00 N ATOM 124 CA GLU A 9 5.625 -3.543 -4.133 1.00 0.00 C ATOM 125 C GLU A 9 4.134 -3.739 -4.448 1.00 0.00 C ATOM 126 O GLU A 9 3.706 -3.520 -5.563 1.00 0.00 O ATOM 127 CB GLU A 9 6.377 -2.982 -5.349 1.00 0.00 C ATOM 128 CG GLU A 9 7.711 -2.382 -4.900 1.00 0.00 C ATOM 129 CD GLU A 9 8.440 -1.784 -6.106 1.00 0.00 C ATOM 130 OE1 GLU A 9 9.082 -2.538 -6.820 1.00 0.00 O ATOM 131 OE2 GLU A 9 8.346 -0.582 -6.294 1.00 0.00 O ATOM 0 H GLU A 9 6.779 -4.905 -2.955 1.00 0.00 H new ATOM 0 HA GLU A 9 5.681 -2.860 -3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.551 -3.774 -6.078 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.773 -2.221 -5.843 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.540 -1.612 -4.148 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.328 -3.150 -4.434 1.00 0.00 H new ATOM 138 N PRO A 10 3.395 -4.167 -3.450 1.00 0.00 N ATOM 139 CA PRO A 10 1.944 -4.413 -3.616 1.00 0.00 C ATOM 140 C PRO A 10 1.114 -3.163 -3.292 1.00 0.00 C ATOM 141 O PRO A 10 0.065 -3.247 -2.680 1.00 0.00 O ATOM 142 CB PRO A 10 1.664 -5.494 -2.593 1.00 0.00 C ATOM 143 CG PRO A 10 2.715 -5.318 -1.534 1.00 0.00 C ATOM 144 CD PRO A 10 3.836 -4.473 -2.089 1.00 0.00 C ATOM 0 HA PRO A 10 1.684 -4.686 -4.639 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.663 -5.390 -2.175 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.720 -6.485 -3.043 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.285 -4.842 -0.653 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.097 -6.289 -1.217 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.983 -3.566 -1.502 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.783 -5.012 -2.086 1.00 0.00 H new ATOM 152 N TRP A 11 1.563 -2.011 -3.702 1.00 0.00 N ATOM 153 CA TRP A 11 0.793 -0.763 -3.424 1.00 0.00 C ATOM 154 C TRP A 11 0.124 -0.296 -4.724 1.00 0.00 C ATOM 155 O TRP A 11 0.196 0.849 -5.107 1.00 0.00 O ATOM 156 CB TRP A 11 1.846 0.244 -2.950 1.00 0.00 C ATOM 157 CG TRP A 11 2.599 -0.307 -1.781 1.00 0.00 C ATOM 158 CD1 TRP A 11 3.769 -0.983 -1.858 1.00 0.00 C ATOM 159 CD2 TRP A 11 2.258 -0.238 -0.369 1.00 0.00 C ATOM 160 NE1 TRP A 11 4.165 -1.335 -0.580 1.00 0.00 N ATOM 161 CE2 TRP A 11 3.266 -0.896 0.370 1.00 0.00 C ATOM 162 CE3 TRP A 11 1.181 0.327 0.338 1.00 0.00 C ATOM 163 CZ2 TRP A 11 3.207 -0.987 1.759 1.00 0.00 C ATOM 164 CZ3 TRP A 11 1.122 0.234 1.734 1.00 0.00 C ATOM 165 CH2 TRP A 11 2.132 -0.420 2.441 1.00 0.00 C ATOM 0 H TRP A 11 2.432 -1.877 -4.219 1.00 0.00 H new ATOM 0 HA TRP A 11 0.006 -0.892 -2.681 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.536 0.469 -3.763 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.364 1.181 -2.672 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.305 -1.210 -2.767 1.00 0.00 H new ATOM 0 HE1 TRP A 11 5.016 -1.855 -0.367 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.394 0.836 -0.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 3.990 -1.494 2.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 0.290 0.671 2.267 1.00 0.00 H new ATOM 0 HH2 TRP A 11 2.080 -0.487 3.518 1.00 0.00 H new ATOM 176 N ASN A 12 -0.503 -1.204 -5.420 1.00 0.00 N ATOM 177 CA ASN A 12 -1.161 -0.853 -6.713 1.00 0.00 C ATOM 178 C ASN A 12 -2.396 -1.735 -6.901 1.00 0.00 C ATOM 179 O ASN A 12 -2.351 -2.763 -7.550 1.00 0.00 O ATOM 180 CB ASN A 12 -0.104 -1.118 -7.801 1.00 0.00 C ATOM 181 CG ASN A 12 0.785 -2.307 -7.406 1.00 0.00 C ATOM 182 OD1 ASN A 12 1.690 -2.150 -6.474 1.00 0.00 O flip ATOM 183 ND2 ASN A 12 0.653 -3.386 -7.949 1.00 0.00 N flip ATOM 0 H ASN A 12 -0.589 -2.183 -5.147 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.498 0.183 -6.752 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.595 -1.323 -8.752 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.510 -0.229 -7.945 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.052 -3.508 -8.675 1.00 0.00 H new ATOM 0 HD22 ASN A 12 1.248 -4.169 -7.678 1.00 0.00 H new ATOM 190 N HIS A 13 -3.492 -1.343 -6.312 1.00 0.00 N ATOM 191 CA HIS A 13 -4.740 -2.153 -6.417 1.00 0.00 C ATOM 192 C HIS A 13 -5.678 -1.562 -7.477 1.00 0.00 C ATOM 193 O HIS A 13 -5.782 -0.359 -7.604 1.00 0.00 O ATOM 194 CB HIS A 13 -5.392 -2.043 -5.032 1.00 0.00 C ATOM 195 CG HIS A 13 -4.703 -2.947 -4.040 1.00 0.00 C ATOM 196 ND1 HIS A 13 -5.304 -3.321 -2.846 1.00 0.00 N ATOM 197 CD2 HIS A 13 -3.470 -3.553 -4.042 1.00 0.00 C ATOM 198 CE1 HIS A 13 -4.440 -4.116 -2.188 1.00 0.00 C ATOM 199 NE2 HIS A 13 -3.307 -4.291 -2.873 1.00 0.00 N ATOM 0 H HIS A 13 -3.578 -0.491 -5.759 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.534 -3.183 -6.707 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.344 -1.011 -4.684 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -6.447 -2.308 -5.100 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.738 -3.469 -4.831 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -4.639 -4.559 -1.223 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -2.496 -4.846 -2.599 1.00 0.00 H new ATOM 207 N PRO A 14 -6.363 -2.432 -8.182 1.00 0.00 N ATOM 208 CA PRO A 14 -7.339 -1.980 -9.208 1.00 0.00 C ATOM 209 C PRO A 14 -8.547 -1.322 -8.529 1.00 0.00 C ATOM 210 O PRO A 14 -9.364 -0.691 -9.171 1.00 0.00 O ATOM 211 CB PRO A 14 -7.761 -3.274 -9.897 1.00 0.00 C ATOM 212 CG PRO A 14 -7.509 -4.336 -8.878 1.00 0.00 C ATOM 213 CD PRO A 14 -6.297 -3.897 -8.099 1.00 0.00 C ATOM 0 HA PRO A 14 -6.925 -1.246 -9.899 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.811 -3.245 -10.189 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.182 -3.448 -10.804 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.370 -4.457 -8.221 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.335 -5.300 -9.356 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.333 -4.245 -7.067 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.376 -4.285 -8.534 1.00 0.00 H new ATOM 221 N GLY A 15 -8.676 -1.497 -7.237 1.00 0.00 N ATOM 222 CA GLY A 15 -9.836 -0.916 -6.506 1.00 0.00 C ATOM 223 C GLY A 15 -11.099 -1.699 -6.877 1.00 0.00 C ATOM 224 O GLY A 15 -12.202 -1.243 -6.663 1.00 0.00 O ATOM 0 H GLY A 15 -8.021 -2.021 -6.657 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.666 -0.963 -5.430 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.955 0.136 -6.764 1.00 0.00 H new ATOM 228 N SER A 16 -10.936 -2.875 -7.437 1.00 0.00 N ATOM 229 CA SER A 16 -12.113 -3.693 -7.842 1.00 0.00 C ATOM 230 C SER A 16 -11.872 -5.189 -7.559 1.00 0.00 C ATOM 231 O SER A 16 -12.703 -6.020 -7.875 1.00 0.00 O ATOM 232 CB SER A 16 -12.236 -3.456 -9.347 1.00 0.00 C ATOM 233 OG SER A 16 -13.212 -2.455 -9.594 1.00 0.00 O ATOM 0 H SER A 16 -10.030 -3.302 -7.630 1.00 0.00 H new ATOM 0 HA SER A 16 -13.013 -3.416 -7.292 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.274 -3.149 -9.757 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.515 -4.382 -9.849 1.00 0.00 H new ATOM 0 HG SER A 16 -13.288 -2.303 -10.559 1.00 0.00 H new ATOM 239 N GLN A 17 -10.746 -5.543 -6.968 1.00 0.00 N ATOM 240 CA GLN A 17 -10.471 -6.985 -6.678 1.00 0.00 C ATOM 241 C GLN A 17 -9.853 -7.178 -5.277 1.00 0.00 C ATOM 242 O GLN A 17 -10.456 -7.817 -4.436 1.00 0.00 O ATOM 243 CB GLN A 17 -9.508 -7.444 -7.776 1.00 0.00 C ATOM 244 CG GLN A 17 -10.279 -7.713 -9.071 1.00 0.00 C ATOM 245 CD GLN A 17 -9.369 -7.444 -10.273 1.00 0.00 C ATOM 246 OE1 GLN A 17 -8.680 -8.330 -10.737 1.00 0.00 O ATOM 247 NE2 GLN A 17 -9.337 -6.249 -10.800 1.00 0.00 N ATOM 0 H GLN A 17 -10.013 -4.895 -6.678 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.390 -7.571 -6.674 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.749 -6.681 -7.947 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.987 -8.347 -7.459 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.629 -8.745 -9.090 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.162 -7.076 -9.120 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.915 -5.504 -10.411 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.734 -6.061 -11.601 1.00 0.00 H new ATOM 256 N PRO A 18 -8.666 -6.638 -5.054 1.00 0.00 N ATOM 257 CA PRO A 18 -8.004 -6.799 -3.729 1.00 0.00 C ATOM 258 C PRO A 18 -8.778 -6.055 -2.633 1.00 0.00 C ATOM 259 O PRO A 18 -8.716 -6.419 -1.476 1.00 0.00 O ATOM 260 CB PRO A 18 -6.621 -6.189 -3.935 1.00 0.00 C ATOM 261 CG PRO A 18 -6.810 -5.231 -5.062 1.00 0.00 C ATOM 262 CD PRO A 18 -7.841 -5.841 -5.975 1.00 0.00 C ATOM 0 HA PRO A 18 -7.960 -7.839 -3.404 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.271 -5.682 -3.036 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.881 -6.951 -4.180 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.143 -4.261 -4.694 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.872 -5.066 -5.592 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.429 -5.079 -6.487 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.382 -6.461 -6.745 1.00 0.00 H new ATOM 270 N LYS A 19 -9.508 -5.026 -2.990 1.00 0.00 N ATOM 271 CA LYS A 19 -10.298 -4.266 -1.975 1.00 0.00 C ATOM 272 C LYS A 19 -11.758 -4.125 -2.436 1.00 0.00 C ATOM 273 O LYS A 19 -12.444 -3.189 -2.068 1.00 0.00 O ATOM 274 CB LYS A 19 -9.614 -2.895 -1.876 1.00 0.00 C ATOM 275 CG LYS A 19 -9.694 -2.163 -3.221 1.00 0.00 C ATOM 276 CD LYS A 19 -9.368 -0.680 -3.019 1.00 0.00 C ATOM 277 CE LYS A 19 -10.634 0.159 -3.225 1.00 0.00 C ATOM 278 NZ LYS A 19 -10.130 1.548 -3.425 1.00 0.00 N ATOM 0 H LYS A 19 -9.590 -4.679 -3.946 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.324 -4.769 -1.008 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.092 -2.297 -1.100 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.571 -3.021 -1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.995 -2.606 -3.930 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.691 -2.272 -3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.972 -0.518 -2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.595 -0.368 -3.722 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.203 -0.185 -4.089 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.297 0.097 -2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.927 2.215 -3.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.448 1.781 -2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.663 1.618 -4.352 1.00 0.00 H new ATOM 292 N THR A 20 -12.239 -5.050 -3.242 1.00 0.00 N ATOM 293 CA THR A 20 -13.653 -4.964 -3.733 1.00 0.00 C ATOM 294 C THR A 20 -14.213 -6.346 -4.128 1.00 0.00 C ATOM 295 O THR A 20 -15.405 -6.567 -4.037 1.00 0.00 O ATOM 296 CB THR A 20 -13.589 -4.053 -4.963 1.00 0.00 C ATOM 297 OG1 THR A 20 -13.471 -2.697 -4.548 1.00 0.00 O ATOM 298 CG2 THR A 20 -14.859 -4.224 -5.805 1.00 0.00 C ATOM 0 H THR A 20 -11.713 -5.857 -3.578 1.00 0.00 H new ATOM 0 HA THR A 20 -14.314 -4.583 -2.955 1.00 0.00 H new ATOM 0 HB THR A 20 -12.721 -4.325 -5.564 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.037 -2.175 -5.255 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.807 -3.573 -6.678 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.943 -5.261 -6.130 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.731 -3.959 -5.207 1.00 0.00 H new ATOM 306 N ALA A 21 -13.384 -7.262 -4.589 1.00 0.00 N ATOM 307 CA ALA A 21 -13.900 -8.612 -5.007 1.00 0.00 C ATOM 308 C ALA A 21 -14.392 -9.413 -3.791 1.00 0.00 C ATOM 309 O ALA A 21 -13.820 -10.427 -3.431 1.00 0.00 O ATOM 310 CB ALA A 21 -12.715 -9.320 -5.667 1.00 0.00 C ATOM 0 H ALA A 21 -12.378 -7.133 -4.693 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.748 -8.520 -5.685 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.022 -10.313 -5.996 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.378 -8.741 -6.526 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.900 -9.412 -4.949 1.00 0.00 H new ATOM 316 N CYS A 22 -15.458 -8.965 -3.162 1.00 0.00 N ATOM 317 CA CYS A 22 -16.017 -9.684 -1.970 1.00 0.00 C ATOM 318 C CYS A 22 -14.958 -9.862 -0.867 1.00 0.00 C ATOM 319 O CYS A 22 -15.120 -10.668 0.031 1.00 0.00 O ATOM 320 CB CYS A 22 -16.474 -11.038 -2.514 1.00 0.00 C ATOM 321 SG CYS A 22 -18.131 -11.414 -1.893 1.00 0.00 S ATOM 0 H CYS A 22 -15.968 -8.123 -3.428 1.00 0.00 H new ATOM 0 HA CYS A 22 -16.831 -9.126 -1.506 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -16.478 -11.021 -3.604 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -15.775 -11.818 -2.211 1.00 0.00 H new ATOM 0 HG CYS A 22 -18.518 -12.564 -2.358 1.00 0.00 H new ATOM 327 N ASN A 23 -13.887 -9.107 -0.920 1.00 0.00 N ATOM 328 CA ASN A 23 -12.830 -9.210 0.122 1.00 0.00 C ATOM 329 C ASN A 23 -13.284 -8.469 1.393 1.00 0.00 C ATOM 330 O ASN A 23 -14.465 -8.305 1.636 1.00 0.00 O ATOM 331 CB ASN A 23 -11.598 -8.536 -0.517 1.00 0.00 C ATOM 332 CG ASN A 23 -11.588 -7.031 -0.210 1.00 0.00 C ATOM 333 OD1 ASN A 23 -10.609 -6.511 0.283 1.00 0.00 O ATOM 334 ND2 ASN A 23 -12.649 -6.311 -0.457 1.00 0.00 N ATOM 0 H ASN A 23 -13.703 -8.419 -1.650 1.00 0.00 H new ATOM 0 HA ASN A 23 -12.615 -10.236 0.422 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.686 -8.997 -0.137 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.609 -8.693 -1.596 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -12.653 -5.315 -0.236 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.474 -6.744 -0.871 1.00 0.00 H new ATOM 341 N ARG A 24 -12.355 -8.007 2.185 1.00 0.00 N ATOM 342 CA ARG A 24 -12.712 -7.261 3.417 1.00 0.00 C ATOM 343 C ARG A 24 -12.009 -5.888 3.430 1.00 0.00 C ATOM 344 O ARG A 24 -12.660 -4.878 3.608 1.00 0.00 O ATOM 345 CB ARG A 24 -12.254 -8.161 4.575 1.00 0.00 C ATOM 346 CG ARG A 24 -10.761 -8.491 4.464 1.00 0.00 C ATOM 347 CD ARG A 24 -10.555 -9.987 4.676 1.00 0.00 C ATOM 348 NE ARG A 24 -10.563 -10.558 3.295 1.00 0.00 N ATOM 349 CZ ARG A 24 -9.879 -11.638 3.032 1.00 0.00 C ATOM 350 NH1 ARG A 24 -10.402 -12.813 3.258 1.00 0.00 N ATOM 351 NH2 ARG A 24 -8.671 -11.542 2.538 1.00 0.00 N ATOM 0 H ARG A 24 -11.354 -8.118 2.026 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.779 -7.048 3.490 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.449 -7.663 5.525 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.834 -9.084 4.573 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.384 -8.196 3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.196 -7.926 5.206 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.613 -10.191 5.186 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.348 -10.415 5.289 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.103 -10.104 2.558 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.345 -12.887 3.640 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.868 -13.657 3.053 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.265 -10.624 2.359 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.136 -12.385 2.332 1.00 0.00 H new ATOM 365 N CYS A 25 -10.696 -5.857 3.226 1.00 0.00 N ATOM 366 CA CYS A 25 -9.901 -4.572 3.213 1.00 0.00 C ATOM 367 C CYS A 25 -9.438 -4.193 4.636 1.00 0.00 C ATOM 368 O CYS A 25 -9.283 -3.031 4.960 1.00 0.00 O ATOM 369 CB CYS A 25 -10.810 -3.490 2.620 1.00 0.00 C ATOM 370 SG CYS A 25 -9.804 -2.256 1.757 1.00 0.00 S ATOM 0 H CYS A 25 -10.133 -6.692 3.065 1.00 0.00 H new ATOM 0 HA CYS A 25 -8.997 -4.684 2.614 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -11.524 -3.939 1.930 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -11.389 -3.013 3.411 1.00 0.00 H new ATOM 0 HG CYS A 25 -10.578 -1.341 1.253 1.00 0.00 H new ATOM 376 N HIS A 26 -9.188 -5.177 5.473 1.00 0.00 N ATOM 377 CA HIS A 26 -8.699 -4.910 6.871 1.00 0.00 C ATOM 378 C HIS A 26 -8.074 -6.189 7.430 1.00 0.00 C ATOM 379 O HIS A 26 -6.880 -6.257 7.610 1.00 0.00 O ATOM 380 CB HIS A 26 -9.903 -4.466 7.731 1.00 0.00 C ATOM 381 CG HIS A 26 -11.192 -5.055 7.230 1.00 0.00 C ATOM 382 ND1 HIS A 26 -11.828 -6.117 7.855 1.00 0.00 N ATOM 383 CD2 HIS A 26 -11.972 -4.732 6.160 1.00 0.00 C ATOM 384 CE1 HIS A 26 -12.940 -6.390 7.151 1.00 0.00 C ATOM 385 NE2 HIS A 26 -13.079 -5.570 6.113 1.00 0.00 N ATOM 0 H HIS A 26 -9.303 -6.165 5.245 1.00 0.00 H new ATOM 0 HA HIS A 26 -7.945 -4.123 6.878 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -9.742 -4.769 8.766 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.973 -3.378 7.725 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -11.761 -3.942 5.454 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -13.635 -7.179 7.398 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -13.836 -5.559 5.429 1.00 0.00 H new ATOM 393 N CYS A 27 -8.857 -7.221 7.664 1.00 0.00 N ATOM 394 CA CYS A 27 -8.275 -8.508 8.171 1.00 0.00 C ATOM 395 C CYS A 27 -7.181 -8.975 7.199 1.00 0.00 C ATOM 396 O CYS A 27 -6.269 -9.689 7.568 1.00 0.00 O ATOM 397 CB CYS A 27 -9.441 -9.500 8.188 1.00 0.00 C ATOM 398 SG CYS A 27 -10.467 -9.205 9.651 1.00 0.00 S ATOM 0 H CYS A 27 -9.868 -7.227 7.526 1.00 0.00 H new ATOM 0 HA CYS A 27 -7.825 -8.411 9.159 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -10.039 -9.390 7.283 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -9.062 -10.522 8.197 1.00 0.00 H new ATOM 0 HG CYS A 27 -11.458 -10.046 9.663 1.00 0.00 H new ATOM 404 N LYS A 28 -7.275 -8.546 5.959 1.00 0.00 N ATOM 405 CA LYS A 28 -6.265 -8.907 4.924 1.00 0.00 C ATOM 406 C LYS A 28 -4.839 -8.588 5.414 1.00 0.00 C ATOM 407 O LYS A 28 -3.899 -9.293 5.097 1.00 0.00 O ATOM 408 CB LYS A 28 -6.651 -8.028 3.727 1.00 0.00 C ATOM 409 CG LYS A 28 -5.552 -8.046 2.660 1.00 0.00 C ATOM 410 CD LYS A 28 -6.049 -7.312 1.409 1.00 0.00 C ATOM 411 CE LYS A 28 -6.204 -5.819 1.718 1.00 0.00 C ATOM 412 NZ LYS A 28 -6.949 -5.270 0.549 1.00 0.00 N ATOM 0 H LYS A 28 -8.029 -7.948 5.620 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.261 -9.970 4.682 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.587 -8.383 3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.822 -7.005 4.062 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.650 -7.568 3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.287 -9.074 2.412 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.345 -7.453 0.588 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.003 -7.728 1.086 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.752 -5.661 2.647 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.234 -5.335 1.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.637 -4.563 0.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.280 -4.822 -0.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.450 -6.041 0.063 1.00 0.00 H new ATOM 426 N LYS A 29 -4.676 -7.534 6.183 1.00 0.00 N ATOM 427 CA LYS A 29 -3.315 -7.163 6.695 1.00 0.00 C ATOM 428 C LYS A 29 -3.401 -6.291 7.968 1.00 0.00 C ATOM 429 O LYS A 29 -2.450 -5.622 8.325 1.00 0.00 O ATOM 430 CB LYS A 29 -2.662 -6.382 5.538 1.00 0.00 C ATOM 431 CG LYS A 29 -3.105 -4.906 5.540 1.00 0.00 C ATOM 432 CD LYS A 29 -4.635 -4.814 5.563 1.00 0.00 C ATOM 433 CE LYS A 29 -5.092 -3.382 5.257 1.00 0.00 C ATOM 434 NZ LYS A 29 -4.829 -3.200 3.800 1.00 0.00 N ATOM 0 H LYS A 29 -5.429 -6.913 6.479 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.739 -8.043 6.982 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.577 -6.439 5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.930 -6.843 4.588 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.689 -4.395 6.408 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.716 -4.400 4.656 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.058 -5.501 4.830 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.009 -5.120 6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.149 -3.246 5.488 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.540 -2.655 5.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.149 -2.425 3.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.436 -4.078 3.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.719 -2.970 3.313 1.00 0.00 H new ATOM 448 N CYS A 30 -4.523 -6.284 8.652 1.00 0.00 N ATOM 449 CA CYS A 30 -4.645 -5.440 9.885 1.00 0.00 C ATOM 450 C CYS A 30 -4.229 -6.226 11.133 1.00 0.00 C ATOM 451 O CYS A 30 -4.914 -7.131 11.568 1.00 0.00 O ATOM 452 CB CYS A 30 -6.122 -5.043 9.966 1.00 0.00 C ATOM 453 SG CYS A 30 -6.362 -3.873 11.327 1.00 0.00 S ATOM 0 H CYS A 30 -5.355 -6.823 8.411 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.992 -4.568 9.837 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -6.440 -4.593 9.026 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.739 -5.928 10.121 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.616 -3.535 11.393 1.00 0.00 H new ATOM 459 N CYS A 31 -3.110 -5.857 11.711 1.00 0.00 N ATOM 460 CA CYS A 31 -2.601 -6.539 12.951 1.00 0.00 C ATOM 461 C CYS A 31 -1.209 -6.001 13.302 1.00 0.00 C ATOM 462 O CYS A 31 -0.849 -5.884 14.458 1.00 0.00 O ATOM 463 CB CYS A 31 -2.532 -8.035 12.619 1.00 0.00 C ATOM 464 SG CYS A 31 -1.682 -8.921 13.950 1.00 0.00 S ATOM 0 H CYS A 31 -2.516 -5.100 11.372 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.250 -6.359 13.808 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.538 -8.434 12.488 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.005 -8.184 11.676 1.00 0.00 H new ATOM 0 HG CYS A 31 -1.032 -8.073 14.690 1.00 0.00 H new ATOM 470 N TYR A 32 -0.446 -5.638 12.304 1.00 0.00 N ATOM 471 CA TYR A 32 0.907 -5.060 12.536 1.00 0.00 C ATOM 472 C TYR A 32 0.896 -3.652 11.938 1.00 0.00 C ATOM 473 O TYR A 32 1.809 -3.235 11.254 1.00 0.00 O ATOM 474 CB TYR A 32 1.935 -5.970 11.816 1.00 0.00 C ATOM 475 CG TYR A 32 1.282 -7.158 11.131 1.00 0.00 C ATOM 476 CD1 TYR A 32 0.522 -6.981 9.960 1.00 0.00 C ATOM 477 CD2 TYR A 32 1.440 -8.438 11.671 1.00 0.00 C ATOM 478 CE1 TYR A 32 -0.077 -8.082 9.342 1.00 0.00 C ATOM 479 CE2 TYR A 32 0.842 -9.541 11.050 1.00 0.00 C ATOM 480 CZ TYR A 32 0.083 -9.362 9.886 1.00 0.00 C ATOM 481 OH TYR A 32 -0.507 -10.451 9.274 1.00 0.00 O ATOM 0 H TYR A 32 -0.710 -5.720 11.322 1.00 0.00 H new ATOM 0 HA TYR A 32 1.171 -5.003 13.592 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.480 -5.383 11.077 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.667 -6.329 12.540 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.402 -5.994 9.539 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.024 -8.576 12.569 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.663 -7.946 8.445 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.966 -10.529 11.468 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.296 -11.264 9.779 1.00 0.00 H new ATOM 491 N HIS A 33 -0.180 -2.936 12.191 1.00 0.00 N ATOM 492 CA HIS A 33 -0.366 -1.550 11.660 1.00 0.00 C ATOM 493 C HIS A 33 -0.570 -1.567 10.131 1.00 0.00 C ATOM 494 O HIS A 33 -0.511 -0.536 9.487 1.00 0.00 O ATOM 495 CB HIS A 33 0.898 -0.758 12.034 1.00 0.00 C ATOM 496 CG HIS A 33 1.087 -0.754 13.528 1.00 0.00 C ATOM 497 ND1 HIS A 33 0.577 0.250 14.336 1.00 0.00 N ATOM 498 CD2 HIS A 33 1.733 -1.621 14.372 1.00 0.00 C ATOM 499 CE1 HIS A 33 0.923 -0.036 15.605 1.00 0.00 C ATOM 500 NE2 HIS A 33 1.629 -1.166 15.683 1.00 0.00 N ATOM 0 H HIS A 33 -0.957 -3.270 12.761 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.255 -1.088 12.089 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.769 -1.201 11.551 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.816 0.265 11.668 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.245 -2.521 14.065 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.661 0.575 16.456 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.010 -1.602 16.523 1.00 0.00 H new ATOM 508 N CYS A 34 -0.826 -2.730 9.555 1.00 0.00 N ATOM 509 CA CYS A 34 -1.056 -2.845 8.074 1.00 0.00 C ATOM 510 C CYS A 34 0.117 -2.273 7.263 1.00 0.00 C ATOM 511 O CYS A 34 0.220 -1.078 7.052 1.00 0.00 O ATOM 512 CB CYS A 34 -2.349 -2.067 7.809 1.00 0.00 C ATOM 513 SG CYS A 34 -2.442 -1.588 6.065 1.00 0.00 S ATOM 0 H CYS A 34 -0.885 -3.614 10.060 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.135 -3.887 7.764 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.211 -2.679 8.072 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.384 -1.179 8.440 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.385 -0.901 5.747 1.00 0.00 H new ATOM 519 N GLN A 35 0.995 -3.126 6.789 1.00 0.00 N ATOM 520 CA GLN A 35 2.153 -2.641 5.972 1.00 0.00 C ATOM 521 C GLN A 35 2.094 -3.201 4.540 1.00 0.00 C ATOM 522 O GLN A 35 2.976 -2.950 3.746 1.00 0.00 O ATOM 523 CB GLN A 35 3.408 -3.150 6.690 1.00 0.00 C ATOM 524 CG GLN A 35 3.493 -2.552 8.098 1.00 0.00 C ATOM 525 CD GLN A 35 3.323 -1.032 8.042 1.00 0.00 C ATOM 526 OE1 GLN A 35 4.058 -0.349 7.356 1.00 0.00 O ATOM 527 NE2 GLN A 35 2.376 -0.474 8.744 1.00 0.00 N ATOM 0 H GLN A 35 0.960 -4.135 6.932 1.00 0.00 H new ATOM 0 HA GLN A 35 2.145 -1.555 5.883 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.385 -4.238 6.750 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.297 -2.881 6.119 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.721 -2.988 8.732 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.454 -2.801 8.548 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.761 -1.050 9.319 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.251 0.538 8.718 1.00 0.00 H new ATOM 536 N VAL A 36 1.061 -3.948 4.206 1.00 0.00 N ATOM 537 CA VAL A 36 0.930 -4.517 2.820 1.00 0.00 C ATOM 538 C VAL A 36 2.264 -5.106 2.323 1.00 0.00 C ATOM 539 O VAL A 36 2.843 -4.623 1.368 1.00 0.00 O ATOM 540 CB VAL A 36 0.490 -3.335 1.943 1.00 0.00 C ATOM 541 CG1 VAL A 36 0.049 -3.791 0.548 1.00 0.00 C ATOM 542 CG2 VAL A 36 -0.652 -2.506 2.542 1.00 0.00 C ATOM 0 H VAL A 36 0.298 -4.189 4.839 1.00 0.00 H new ATOM 0 HA VAL A 36 0.214 -5.339 2.790 1.00 0.00 H new ATOM 0 HB VAL A 36 1.379 -2.708 1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.254 -2.924 -0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.878 -4.294 0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.791 -4.479 0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.905 -1.691 1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.526 -3.141 2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.339 -2.095 3.502 1.00 0.00 H new ATOM 552 N CYS A 37 2.739 -6.152 2.964 1.00 0.00 N ATOM 553 CA CYS A 37 4.028 -6.808 2.548 1.00 0.00 C ATOM 554 C CYS A 37 5.097 -5.767 2.169 1.00 0.00 C ATOM 555 O CYS A 37 5.519 -5.684 1.028 1.00 0.00 O ATOM 556 CB CYS A 37 3.659 -7.675 1.341 1.00 0.00 C ATOM 557 SG CYS A 37 2.837 -9.184 1.911 1.00 0.00 S ATOM 0 H CYS A 37 2.284 -6.585 3.767 1.00 0.00 H new ATOM 0 HA CYS A 37 4.460 -7.393 3.360 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.002 -7.122 0.670 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.555 -7.928 0.774 1.00 0.00 H new ATOM 0 HG CYS A 37 2.521 -9.920 0.887 1.00 0.00 H new ATOM 563 N PHE A 38 5.534 -4.976 3.116 1.00 0.00 N ATOM 564 CA PHE A 38 6.573 -3.940 2.810 1.00 0.00 C ATOM 565 C PHE A 38 7.999 -4.477 3.092 1.00 0.00 C ATOM 566 O PHE A 38 8.349 -5.552 2.642 1.00 0.00 O ATOM 567 CB PHE A 38 6.181 -2.706 3.659 1.00 0.00 C ATOM 568 CG PHE A 38 6.533 -2.826 5.131 1.00 0.00 C ATOM 569 CD1 PHE A 38 6.676 -4.077 5.747 1.00 0.00 C ATOM 570 CD2 PHE A 38 6.722 -1.656 5.879 1.00 0.00 C ATOM 571 CE1 PHE A 38 7.009 -4.150 7.101 1.00 0.00 C ATOM 572 CE2 PHE A 38 7.052 -1.734 7.233 1.00 0.00 C ATOM 573 CZ PHE A 38 7.196 -2.981 7.842 1.00 0.00 C ATOM 0 H PHE A 38 5.219 -5.001 4.086 1.00 0.00 H new ATOM 0 HA PHE A 38 6.603 -3.668 1.755 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.676 -1.825 3.249 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.108 -2.541 3.566 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.529 -4.982 5.176 1.00 0.00 H new ATOM 0 HD2 PHE A 38 6.612 -0.691 5.406 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.122 -5.113 7.577 1.00 0.00 H new ATOM 0 HE2 PHE A 38 7.196 -0.831 7.808 1.00 0.00 H new ATOM 0 HZ PHE A 38 7.453 -3.042 8.889 1.00 0.00 H new ATOM 583 N ILE A 39 8.829 -3.735 3.789 1.00 0.00 N ATOM 584 CA ILE A 39 10.237 -4.188 4.054 1.00 0.00 C ATOM 585 C ILE A 39 10.284 -5.580 4.711 1.00 0.00 C ATOM 586 O ILE A 39 10.717 -6.538 4.096 1.00 0.00 O ATOM 587 CB ILE A 39 10.813 -3.131 5.011 1.00 0.00 C ATOM 588 CG1 ILE A 39 10.711 -1.736 4.369 1.00 0.00 C ATOM 589 CG2 ILE A 39 12.274 -3.469 5.338 1.00 0.00 C ATOM 590 CD1 ILE A 39 12.004 -1.369 3.632 1.00 0.00 C ATOM 0 H ILE A 39 8.591 -2.828 4.189 1.00 0.00 H new ATOM 0 HA ILE A 39 10.802 -4.278 3.127 1.00 0.00 H new ATOM 0 HB ILE A 39 10.240 -3.130 5.938 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.873 -1.714 3.672 1.00 0.00 H new ATOM 0 HG13 ILE A 39 10.505 -0.993 5.139 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.678 -2.718 6.016 1.00 0.00 H new ATOM 0 HG22 ILE A 39 12.323 -4.449 5.812 1.00 0.00 H new ATOM 0 HG23 ILE A 39 12.859 -3.480 4.419 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.902 -0.378 3.189 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.836 -1.367 4.336 1.00 0.00 H new ATOM 0 HD13 ILE A 39 12.195 -2.100 2.846 1.00 0.00 H new ATOM 602 N THR A 40 9.875 -5.700 5.951 1.00 0.00 N ATOM 603 CA THR A 40 9.935 -7.033 6.631 1.00 0.00 C ATOM 604 C THR A 40 8.614 -7.808 6.474 1.00 0.00 C ATOM 605 O THR A 40 7.578 -7.244 6.176 1.00 0.00 O ATOM 606 CB THR A 40 10.225 -6.711 8.107 1.00 0.00 C ATOM 607 OG1 THR A 40 10.823 -7.841 8.731 1.00 0.00 O ATOM 608 CG2 THR A 40 8.934 -6.346 8.838 1.00 0.00 C ATOM 0 H THR A 40 9.504 -4.938 6.519 1.00 0.00 H new ATOM 0 HA THR A 40 10.700 -7.676 6.196 1.00 0.00 H new ATOM 0 HB THR A 40 10.906 -5.861 8.154 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.009 -7.635 9.671 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.157 -6.121 9.881 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.484 -5.472 8.367 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.238 -7.184 8.788 1.00 0.00 H new ATOM 616 N LYS A 41 8.661 -9.104 6.677 1.00 0.00 N ATOM 617 CA LYS A 41 7.428 -9.950 6.550 1.00 0.00 C ATOM 618 C LYS A 41 6.484 -9.733 7.744 1.00 0.00 C ATOM 619 O LYS A 41 5.286 -9.910 7.630 1.00 0.00 O ATOM 620 CB LYS A 41 7.925 -11.404 6.517 1.00 0.00 C ATOM 621 CG LYS A 41 8.755 -11.718 7.771 1.00 0.00 C ATOM 622 CD LYS A 41 8.113 -12.872 8.552 1.00 0.00 C ATOM 623 CE LYS A 41 6.952 -12.349 9.409 1.00 0.00 C ATOM 624 NZ LYS A 41 7.606 -11.648 10.555 1.00 0.00 N ATOM 0 H LYS A 41 9.507 -9.617 6.927 1.00 0.00 H new ATOM 0 HA LYS A 41 6.862 -9.693 5.655 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.075 -12.084 6.457 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.528 -11.568 5.624 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.773 -11.983 7.486 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.822 -10.833 8.404 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.750 -13.632 7.860 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.858 -13.350 9.188 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.316 -11.670 8.841 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.317 -13.165 9.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.878 -11.306 11.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.239 -12.308 11.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.157 -10.841 10.199 1.00 0.00 H new ATOM 638 N GLY A 42 7.013 -9.355 8.887 1.00 0.00 N ATOM 639 CA GLY A 42 6.150 -9.129 10.089 1.00 0.00 C ATOM 640 C GLY A 42 5.286 -7.881 9.890 1.00 0.00 C ATOM 641 O GLY A 42 4.350 -7.641 10.625 1.00 0.00 O ATOM 0 H GLY A 42 8.009 -9.193 9.037 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.514 -9.998 10.258 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.772 -9.012 10.976 1.00 0.00 H new ATOM 645 N LEU A 43 5.596 -7.101 8.886 1.00 0.00 N ATOM 646 CA LEU A 43 4.819 -5.868 8.580 1.00 0.00 C ATOM 647 C LEU A 43 4.914 -4.827 9.707 1.00 0.00 C ATOM 648 O LEU A 43 3.919 -4.311 10.169 1.00 0.00 O ATOM 649 CB LEU A 43 3.370 -6.328 8.360 1.00 0.00 C ATOM 650 CG LEU A 43 3.319 -7.302 7.179 1.00 0.00 C ATOM 651 CD1 LEU A 43 1.949 -7.942 6.953 1.00 0.00 C ATOM 652 CD2 LEU A 43 3.728 -6.576 5.899 1.00 0.00 C ATOM 0 H LEU A 43 6.376 -7.274 8.251 1.00 0.00 H new ATOM 0 HA LEU A 43 5.218 -5.368 7.697 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.989 -6.811 9.260 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.730 -5.468 8.164 1.00 0.00 H new ATOM 0 HG LEU A 43 4.010 -8.107 7.429 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.999 -8.617 6.099 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.658 -8.502 7.842 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.212 -7.164 6.757 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.691 -7.270 5.059 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.043 -5.748 5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.742 -6.191 6.007 1.00 0.00 H new ATOM 664 N GLY A 44 6.104 -4.487 10.123 1.00 0.00 N ATOM 665 CA GLY A 44 6.263 -3.446 11.185 1.00 0.00 C ATOM 666 C GLY A 44 5.921 -3.990 12.575 1.00 0.00 C ATOM 667 O GLY A 44 5.551 -3.237 13.457 1.00 0.00 O ATOM 0 H GLY A 44 6.976 -4.885 9.774 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.289 -3.078 11.182 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.619 -2.596 10.959 1.00 0.00 H new ATOM 671 N ILE A 45 6.044 -5.278 12.787 1.00 0.00 N ATOM 672 CA ILE A 45 5.726 -5.840 14.143 1.00 0.00 C ATOM 673 C ILE A 45 6.608 -5.177 15.217 1.00 0.00 C ATOM 674 O ILE A 45 6.104 -4.609 16.168 1.00 0.00 O ATOM 675 CB ILE A 45 5.990 -7.359 14.079 1.00 0.00 C ATOM 676 CG1 ILE A 45 7.274 -7.672 13.293 1.00 0.00 C ATOM 677 CG2 ILE A 45 4.801 -8.055 13.414 1.00 0.00 C ATOM 678 CD1 ILE A 45 8.326 -8.265 14.235 1.00 0.00 C ATOM 0 H ILE A 45 6.347 -5.959 12.091 1.00 0.00 H new ATOM 0 HA ILE A 45 4.688 -5.645 14.411 1.00 0.00 H new ATOM 0 HB ILE A 45 6.118 -7.726 15.097 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.057 -8.374 12.488 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.658 -6.764 12.829 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.987 -9.128 13.368 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.898 -7.867 13.995 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.670 -7.666 12.404 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.234 -8.485 13.674 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.552 -7.549 15.025 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.941 -9.184 14.678 1.00 0.00 H new ATOM 690 N SER A 46 7.917 -5.236 15.072 1.00 0.00 N ATOM 691 CA SER A 46 8.822 -4.598 16.090 1.00 0.00 C ATOM 692 C SER A 46 10.299 -4.612 15.637 1.00 0.00 C ATOM 693 O SER A 46 11.196 -4.511 16.455 1.00 0.00 O ATOM 694 CB SER A 46 8.650 -5.443 17.359 1.00 0.00 C ATOM 695 OG SER A 46 9.018 -6.791 17.095 1.00 0.00 O ATOM 0 H SER A 46 8.395 -5.696 14.297 1.00 0.00 H new ATOM 0 HA SER A 46 8.564 -3.550 16.242 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.266 -5.039 18.162 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.615 -5.399 17.699 1.00 0.00 H new ATOM 0 HG SER A 46 8.908 -7.326 17.909 1.00 0.00 H new ATOM 701 N TYR A 47 10.566 -4.732 14.354 1.00 0.00 N ATOM 702 CA TYR A 47 11.990 -4.745 13.878 1.00 0.00 C ATOM 703 C TYR A 47 12.551 -3.315 13.748 1.00 0.00 C ATOM 704 O TYR A 47 13.736 -3.129 13.539 1.00 0.00 O ATOM 705 CB TYR A 47 11.951 -5.441 12.506 1.00 0.00 C ATOM 706 CG TYR A 47 11.412 -4.506 11.446 1.00 0.00 C ATOM 707 CD1 TYR A 47 10.039 -4.468 11.192 1.00 0.00 C ATOM 708 CD2 TYR A 47 12.283 -3.684 10.720 1.00 0.00 C ATOM 709 CE1 TYR A 47 9.535 -3.610 10.216 1.00 0.00 C ATOM 710 CE2 TYR A 47 11.776 -2.823 9.739 1.00 0.00 C ATOM 711 CZ TYR A 47 10.402 -2.787 9.487 1.00 0.00 C ATOM 712 OH TYR A 47 9.901 -1.940 8.520 1.00 0.00 O ATOM 0 H TYR A 47 9.863 -4.821 13.620 1.00 0.00 H new ATOM 0 HA TYR A 47 12.642 -5.262 14.582 1.00 0.00 H new ATOM 0 HB2 TYR A 47 12.953 -5.771 12.231 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.327 -6.333 12.563 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.368 -5.103 11.752 1.00 0.00 H new ATOM 0 HD2 TYR A 47 13.345 -3.714 10.917 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.473 -3.580 10.022 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.446 -2.188 9.178 1.00 0.00 H new ATOM 0 HH TYR A 47 8.923 -2.004 8.504 1.00 0.00 H new ATOM 722 N GLY A 48 11.711 -2.311 13.842 1.00 0.00 N ATOM 723 CA GLY A 48 12.190 -0.903 13.698 1.00 0.00 C ATOM 724 C GLY A 48 11.686 -0.377 12.353 1.00 0.00 C ATOM 725 O GLY A 48 12.457 -0.048 11.471 1.00 0.00 O ATOM 0 H GLY A 48 10.710 -2.409 14.013 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.816 -0.286 14.515 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.278 -0.863 13.741 1.00 0.00 H new ATOM 729 N ARG A 49 10.388 -0.328 12.188 1.00 0.00 N ATOM 730 CA ARG A 49 9.795 0.140 10.898 1.00 0.00 C ATOM 731 C ARG A 49 9.846 1.666 10.753 1.00 0.00 C ATOM 732 O ARG A 49 10.004 2.395 11.715 1.00 0.00 O ATOM 733 CB ARG A 49 8.350 -0.339 10.937 1.00 0.00 C ATOM 734 CG ARG A 49 7.560 0.442 11.987 1.00 0.00 C ATOM 735 CD ARG A 49 6.184 -0.193 12.129 1.00 0.00 C ATOM 736 NE ARG A 49 5.604 -0.093 10.759 1.00 0.00 N ATOM 737 CZ ARG A 49 4.619 0.734 10.521 1.00 0.00 C ATOM 738 NH1 ARG A 49 3.559 0.730 11.288 1.00 0.00 N ATOM 739 NH2 ARG A 49 4.695 1.564 9.513 1.00 0.00 N ATOM 0 H ARG A 49 9.707 -0.595 12.899 1.00 0.00 H new ATOM 0 HA ARG A 49 10.351 -0.254 10.047 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.891 -0.211 9.957 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.319 -1.404 11.167 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.084 0.428 12.943 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.466 1.487 11.690 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.254 -1.229 12.459 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.573 0.335 12.862 1.00 0.00 H new ATOM 0 HE ARG A 49 5.976 -0.671 10.006 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.500 0.081 12.073 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.792 1.376 11.101 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.521 1.565 8.915 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.928 2.210 9.325 1.00 0.00 H new ATOM 753 N LYS A 50 9.694 2.139 9.542 1.00 0.00 N ATOM 754 CA LYS A 50 9.705 3.608 9.276 1.00 0.00 C ATOM 755 C LYS A 50 8.612 3.965 8.249 1.00 0.00 C ATOM 756 O LYS A 50 8.647 5.017 7.636 1.00 0.00 O ATOM 757 CB LYS A 50 11.101 3.900 8.709 1.00 0.00 C ATOM 758 CG LYS A 50 11.268 3.212 7.348 1.00 0.00 C ATOM 759 CD LYS A 50 12.122 1.952 7.509 1.00 0.00 C ATOM 760 CE LYS A 50 12.263 1.253 6.154 1.00 0.00 C ATOM 761 NZ LYS A 50 13.478 0.398 6.299 1.00 0.00 N ATOM 0 H LYS A 50 9.561 1.559 8.714 1.00 0.00 H new ATOM 0 HA LYS A 50 9.503 4.195 10.172 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.242 4.976 8.602 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.865 3.546 9.401 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.292 2.952 6.939 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.739 3.894 6.640 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.106 2.214 7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.662 1.278 8.232 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.382 0.655 5.923 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.380 1.975 5.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.050 0.458 5.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.041 0.729 7.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.191 -0.589 6.457 1.00 0.00 H new ATOM 775 N LYS A 51 7.653 3.080 8.052 1.00 0.00 N ATOM 776 CA LYS A 51 6.552 3.320 7.061 1.00 0.00 C ATOM 777 C LYS A 51 7.163 3.489 5.671 1.00 0.00 C ATOM 778 O LYS A 51 6.875 4.448 4.981 1.00 0.00 O ATOM 779 CB LYS A 51 5.835 4.611 7.494 1.00 0.00 C ATOM 780 CG LYS A 51 5.785 4.729 9.022 1.00 0.00 C ATOM 781 CD LYS A 51 4.835 5.865 9.413 1.00 0.00 C ATOM 782 CE LYS A 51 5.335 7.181 8.807 1.00 0.00 C ATOM 783 NZ LYS A 51 4.313 8.189 9.217 1.00 0.00 N ATOM 0 H LYS A 51 7.589 2.190 8.545 1.00 0.00 H new ATOM 0 HA LYS A 51 5.849 2.488 7.027 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.352 5.475 7.076 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.822 4.620 7.092 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.446 3.790 9.460 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.783 4.923 9.416 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.827 5.649 9.058 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.780 5.950 10.498 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.324 7.442 9.184 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.415 7.114 7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.577 9.123 8.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.384 7.915 8.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.265 8.232 10.255 1.00 0.00 H new ATOM 797 N ARG A 52 8.035 2.568 5.286 1.00 0.00 N ATOM 798 CA ARG A 52 8.745 2.624 3.964 1.00 0.00 C ATOM 799 C ARG A 52 9.195 4.049 3.631 1.00 0.00 C ATOM 800 O ARG A 52 9.438 4.354 2.483 1.00 0.00 O ATOM 801 CB ARG A 52 7.764 2.089 2.894 1.00 0.00 C ATOM 802 CG ARG A 52 6.388 2.766 2.964 1.00 0.00 C ATOM 803 CD ARG A 52 5.446 1.936 3.845 1.00 0.00 C ATOM 804 NE ARG A 52 4.368 2.887 4.253 1.00 0.00 N ATOM 805 CZ ARG A 52 3.265 2.430 4.786 1.00 0.00 C ATOM 806 NH1 ARG A 52 3.193 2.239 6.078 1.00 0.00 N ATOM 807 NH2 ARG A 52 2.235 2.166 4.029 1.00 0.00 N ATOM 0 H ARG A 52 8.286 1.760 5.855 1.00 0.00 H new ATOM 0 HA ARG A 52 9.649 2.015 3.996 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.192 2.245 1.904 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.643 1.013 3.023 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.488 3.773 3.370 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.970 2.866 1.962 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.038 1.087 3.297 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.968 1.534 4.713 1.00 0.00 H new ATOM 0 HE ARG A 52 4.492 3.890 4.116 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.997 2.447 6.670 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.332 1.883 6.494 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.291 2.316 3.022 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.375 1.809 4.445 1.00 0.00 H new ATOM 821 N ARG A 53 9.302 4.924 4.625 1.00 0.00 N ATOM 822 CA ARG A 53 9.710 6.339 4.367 1.00 0.00 C ATOM 823 C ARG A 53 9.085 6.816 3.045 1.00 0.00 C ATOM 824 O ARG A 53 9.687 7.546 2.280 1.00 0.00 O ATOM 825 CB ARG A 53 11.235 6.288 4.301 1.00 0.00 C ATOM 826 CG ARG A 53 11.819 7.503 5.025 1.00 0.00 C ATOM 827 CD ARG A 53 13.151 7.894 4.378 1.00 0.00 C ATOM 828 NE ARG A 53 13.514 9.185 5.032 1.00 0.00 N ATOM 829 CZ ARG A 53 14.771 9.504 5.197 1.00 0.00 C ATOM 830 NH1 ARG A 53 15.447 10.031 4.208 1.00 0.00 N ATOM 831 NH2 ARG A 53 15.351 9.298 6.351 1.00 0.00 N ATOM 0 H ARG A 53 9.120 4.705 5.605 1.00 0.00 H new ATOM 0 HA ARG A 53 9.376 7.040 5.132 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.599 5.369 4.760 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.564 6.278 3.262 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.120 8.338 4.977 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.969 7.273 6.080 1.00 0.00 H new ATOM 0 HD2 ARG A 53 13.914 7.134 4.548 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.050 8.009 3.299 1.00 0.00 H new ATOM 0 HE ARG A 53 12.781 9.819 5.350 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.993 10.193 3.309 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.428 10.280 4.336 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.823 8.889 7.121 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.332 9.547 6.480 1.00 0.00 H new ATOM 845 N GLN A 54 7.874 6.358 2.780 1.00 0.00 N ATOM 846 CA GLN A 54 7.155 6.697 1.517 1.00 0.00 C ATOM 847 C GLN A 54 8.090 6.579 0.311 1.00 0.00 C ATOM 848 O GLN A 54 8.320 7.535 -0.408 1.00 0.00 O ATOM 849 CB GLN A 54 6.645 8.125 1.683 1.00 0.00 C ATOM 850 CG GLN A 54 5.843 8.249 2.987 1.00 0.00 C ATOM 851 CD GLN A 54 4.809 7.122 3.082 1.00 0.00 C ATOM 852 OE1 GLN A 54 4.917 6.253 3.925 1.00 0.00 O ATOM 853 NE2 GLN A 54 3.808 7.098 2.249 1.00 0.00 N ATOM 0 H GLN A 54 7.350 5.749 3.408 1.00 0.00 H new ATOM 0 HA GLN A 54 6.329 6.009 1.335 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.484 8.820 1.695 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.018 8.397 0.834 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.517 8.207 3.842 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.342 9.216 3.024 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.716 7.827 1.541 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.116 6.351 2.305 1.00 0.00 H new ATOM 862 N ARG A 55 8.625 5.404 0.084 1.00 0.00 N ATOM 863 CA ARG A 55 9.545 5.213 -1.087 1.00 0.00 C ATOM 864 C ARG A 55 8.796 5.417 -2.420 1.00 0.00 C ATOM 865 O ARG A 55 9.402 5.440 -3.475 1.00 0.00 O ATOM 866 CB ARG A 55 10.058 3.774 -0.970 1.00 0.00 C ATOM 867 CG ARG A 55 11.094 3.689 0.156 1.00 0.00 C ATOM 868 CD ARG A 55 12.468 4.120 -0.362 1.00 0.00 C ATOM 869 NE ARG A 55 13.382 3.903 0.799 1.00 0.00 N ATOM 870 CZ ARG A 55 14.605 4.360 0.764 1.00 0.00 C ATOM 871 NH1 ARG A 55 14.841 5.617 1.041 1.00 0.00 N ATOM 872 NH2 ARG A 55 15.591 3.559 0.455 1.00 0.00 N ATOM 0 H ARG A 55 8.468 4.572 0.653 1.00 0.00 H new ATOM 0 HA ARG A 55 10.359 5.938 -1.079 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.229 3.097 -0.767 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.504 3.458 -1.913 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.793 4.327 0.987 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.144 2.670 0.539 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.772 3.527 -1.225 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.465 5.163 -0.677 1.00 0.00 H new ATOM 0 HE ARG A 55 13.051 3.397 1.620 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.070 6.239 1.284 1.00 0.00 H new ATOM 0 HH12 ARG A 55 15.796 5.975 1.014 1.00 0.00 H new ATOM 0 HH21 ARG A 55 15.404 2.579 0.242 1.00 0.00 H new ATOM 0 HH22 ARG A 55 16.547 3.914 0.427 1.00 0.00 H new ATOM 886 N ARG A 56 7.489 5.572 -2.382 1.00 0.00 N ATOM 887 CA ARG A 56 6.707 5.783 -3.638 1.00 0.00 C ATOM 888 C ARG A 56 5.673 6.904 -3.443 1.00 0.00 C ATOM 889 O ARG A 56 4.581 6.860 -3.983 1.00 0.00 O ATOM 890 CB ARG A 56 6.019 4.441 -3.912 1.00 0.00 C ATOM 891 CG ARG A 56 4.928 4.177 -2.868 1.00 0.00 C ATOM 892 CD ARG A 56 5.561 3.570 -1.614 1.00 0.00 C ATOM 893 NE ARG A 56 4.687 2.415 -1.277 1.00 0.00 N ATOM 894 CZ ARG A 56 4.708 1.919 -0.071 1.00 0.00 C ATOM 895 NH1 ARG A 56 5.627 1.050 0.261 1.00 0.00 N ATOM 896 NH2 ARG A 56 3.813 2.298 0.803 1.00 0.00 N ATOM 0 H ARG A 56 6.932 5.561 -1.528 1.00 0.00 H new ATOM 0 HA ARG A 56 7.340 6.087 -4.472 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.582 4.446 -4.911 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.754 3.637 -3.890 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.417 5.106 -2.617 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.177 3.499 -3.274 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.586 3.250 -1.802 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.597 4.292 -0.798 1.00 0.00 H new ATOM 0 HE ARG A 56 4.074 2.013 -1.986 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.326 0.761 -0.423 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.645 0.661 1.204 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.101 2.980 0.541 1.00 0.00 H new ATOM 0 HH22 ARG A 56 3.827 1.912 1.747 1.00 0.00 H new ATOM 910 N ARG A 57 6.017 7.906 -2.674 1.00 0.00 N ATOM 911 CA ARG A 57 5.072 9.041 -2.426 1.00 0.00 C ATOM 912 C ARG A 57 4.679 9.754 -3.737 1.00 0.00 C ATOM 913 O ARG A 57 3.522 10.077 -3.921 1.00 0.00 O ATOM 914 CB ARG A 57 5.834 9.996 -1.501 1.00 0.00 C ATOM 915 CG ARG A 57 4.868 11.025 -0.913 1.00 0.00 C ATOM 916 CD ARG A 57 3.985 10.358 0.145 1.00 0.00 C ATOM 917 NE ARG A 57 3.087 11.452 0.617 1.00 0.00 N ATOM 918 CZ ARG A 57 2.179 11.950 -0.183 1.00 0.00 C ATOM 919 NH1 ARG A 57 1.207 11.193 -0.621 1.00 0.00 N ATOM 920 NH2 ARG A 57 2.247 13.204 -0.547 1.00 0.00 N ATOM 0 H ARG A 57 6.918 7.988 -2.203 1.00 0.00 H new ATOM 0 HA ARG A 57 4.138 8.691 -1.986 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.315 9.435 -0.700 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.625 10.501 -2.056 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.426 11.849 -0.468 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.248 11.449 -1.703 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.416 9.530 -0.277 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.581 9.952 0.962 1.00 0.00 H new ATOM 0 HE ARG A 57 3.181 11.813 1.566 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.156 10.214 -0.339 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.499 11.581 -1.245 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.007 13.793 -0.207 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.540 13.593 -1.171 1.00 0.00 H new ATOM 934 N PRO A 58 5.644 9.992 -4.604 1.00 0.00 N ATOM 935 CA PRO A 58 5.350 10.688 -5.886 1.00 0.00 C ATOM 936 C PRO A 58 4.593 9.775 -6.870 1.00 0.00 C ATOM 937 O PRO A 58 4.006 10.249 -7.824 1.00 0.00 O ATOM 938 CB PRO A 58 6.729 11.044 -6.431 1.00 0.00 C ATOM 939 CG PRO A 58 7.656 10.045 -5.813 1.00 0.00 C ATOM 940 CD PRO A 58 7.070 9.646 -4.482 1.00 0.00 C ATOM 0 HA PRO A 58 4.708 11.557 -5.745 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.752 10.984 -7.519 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.009 12.062 -6.162 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.768 9.174 -6.459 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.649 10.474 -5.682 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.208 8.582 -4.288 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.543 10.184 -3.660 1.00 0.00 H new ATOM 948 N SER A 59 4.602 8.479 -6.655 1.00 0.00 N ATOM 949 CA SER A 59 3.885 7.560 -7.591 1.00 0.00 C ATOM 950 C SER A 59 2.441 7.332 -7.127 1.00 0.00 C ATOM 951 O SER A 59 2.204 6.777 -6.074 1.00 0.00 O ATOM 952 CB SER A 59 4.677 6.249 -7.551 1.00 0.00 C ATOM 953 OG SER A 59 5.919 6.423 -8.218 1.00 0.00 O ATOM 0 H SER A 59 5.074 8.022 -5.874 1.00 0.00 H new ATOM 0 HA SER A 59 3.827 7.971 -8.599 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.847 5.946 -6.518 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.105 5.452 -8.027 1.00 0.00 H new ATOM 0 HG SER A 59 6.425 5.584 -8.190 1.00 0.00 H new ATOM 959 N GLN A 60 1.478 7.754 -7.914 1.00 0.00 N ATOM 960 CA GLN A 60 0.041 7.563 -7.535 1.00 0.00 C ATOM 961 C GLN A 60 -0.840 7.394 -8.779 1.00 0.00 C ATOM 962 O GLN A 60 -2.041 7.575 -8.720 1.00 0.00 O ATOM 963 CB GLN A 60 -0.354 8.830 -6.784 1.00 0.00 C ATOM 964 CG GLN A 60 0.035 8.672 -5.321 1.00 0.00 C ATOM 965 CD GLN A 60 -0.188 9.994 -4.578 1.00 0.00 C ATOM 966 OE1 GLN A 60 -1.241 10.592 -4.676 1.00 0.00 O ATOM 967 NE2 GLN A 60 0.766 10.474 -3.830 1.00 0.00 N ATOM 0 H GLN A 60 1.627 8.225 -8.807 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.092 6.666 -6.930 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.146 9.697 -7.216 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.426 9.003 -6.873 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.558 7.881 -4.861 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.080 8.373 -5.244 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.650 9.973 -3.747 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.628 11.351 -3.328 1.00 0.00 H new ATOM 976 N GLY A 61 -0.257 7.042 -9.895 1.00 0.00 N ATOM 977 CA GLY A 61 -1.060 6.854 -11.142 1.00 0.00 C ATOM 978 C GLY A 61 -1.873 5.567 -11.016 1.00 0.00 C ATOM 979 O GLY A 61 -1.415 4.497 -11.375 1.00 0.00 O ATOM 0 H GLY A 61 0.744 6.876 -9.998 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.723 7.705 -11.296 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.402 6.801 -12.010 1.00 0.00 H new ATOM 983 N GLY A 62 -3.066 5.660 -10.483 1.00 0.00 N ATOM 984 CA GLY A 62 -3.906 4.443 -10.299 1.00 0.00 C ATOM 985 C GLY A 62 -3.209 3.509 -9.303 1.00 0.00 C ATOM 986 O GLY A 62 -3.357 2.303 -9.366 1.00 0.00 O ATOM 0 H GLY A 62 -3.493 6.531 -10.167 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.894 4.718 -9.930 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.051 3.937 -11.253 1.00 0.00 H new ATOM 990 N GLN A 63 -2.441 4.061 -8.387 1.00 0.00 N ATOM 991 CA GLN A 63 -1.726 3.216 -7.391 1.00 0.00 C ATOM 992 C GLN A 63 -2.681 2.718 -6.313 1.00 0.00 C ATOM 993 O GLN A 63 -2.415 1.725 -5.662 1.00 0.00 O ATOM 994 CB GLN A 63 -0.686 4.139 -6.759 1.00 0.00 C ATOM 995 CG GLN A 63 0.452 4.408 -7.745 1.00 0.00 C ATOM 996 CD GLN A 63 1.156 3.101 -8.136 1.00 0.00 C ATOM 997 OE1 GLN A 63 1.260 2.129 -7.267 1.00 0.00 O flip ATOM 998 NE2 GLN A 63 1.615 2.961 -9.252 1.00 0.00 N flip ATOM 0 H GLN A 63 -2.283 5.064 -8.293 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.283 2.338 -7.861 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.154 5.079 -6.467 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.290 3.684 -5.851 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.058 4.895 -8.637 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.172 5.094 -7.298 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.537 3.716 -9.934 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.078 2.089 -9.507 1.00 0.00 H new ATOM 1007 N THR A 64 -3.775 3.414 -6.094 1.00 0.00 N ATOM 1008 CA THR A 64 -4.729 2.998 -5.022 1.00 0.00 C ATOM 1009 C THR A 64 -3.934 2.675 -3.758 1.00 0.00 C ATOM 1010 O THR A 64 -4.076 1.625 -3.158 1.00 0.00 O ATOM 1011 CB THR A 64 -5.428 1.756 -5.555 1.00 0.00 C ATOM 1012 OG1 THR A 64 -6.106 2.073 -6.766 1.00 0.00 O ATOM 1013 CG2 THR A 64 -6.429 1.250 -4.518 1.00 0.00 C ATOM 0 H THR A 64 -4.045 4.250 -6.612 1.00 0.00 H new ATOM 0 HA THR A 64 -5.453 3.774 -4.773 1.00 0.00 H new ATOM 0 HB THR A 64 -4.690 0.979 -5.751 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.938 1.371 -7.428 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.930 0.360 -4.900 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.904 1.003 -3.595 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.169 2.025 -4.318 1.00 0.00 H new ATOM 1021 N HIS A 65 -3.075 3.573 -3.369 1.00 0.00 N ATOM 1022 CA HIS A 65 -2.243 3.330 -2.165 1.00 0.00 C ATOM 1023 C HIS A 65 -3.114 3.397 -0.903 1.00 0.00 C ATOM 1024 O HIS A 65 -4.323 3.524 -0.974 1.00 0.00 O ATOM 1025 CB HIS A 65 -1.201 4.446 -2.174 1.00 0.00 C ATOM 1026 CG HIS A 65 -0.053 4.100 -3.090 1.00 0.00 C ATOM 1027 ND1 HIS A 65 0.473 2.902 -3.520 1.00 0.00 N flip ATOM 1028 CD2 HIS A 65 0.719 5.082 -3.690 1.00 0.00 C flip ATOM 1029 CE1 HIS A 65 1.550 3.142 -4.367 1.00 0.00 C flip ATOM 1030 NE2 HIS A 65 1.652 4.467 -4.436 1.00 0.00 N flip ATOM 0 H HIS A 65 -2.914 4.466 -3.835 1.00 0.00 H new ATOM 0 HA HIS A 65 -1.775 2.345 -2.170 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -1.663 5.378 -2.499 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.829 4.610 -1.163 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.593 6.149 -3.578 1.00 0.00 H new ATOM 0 HE1 HIS A 65 2.170 2.410 -4.862 1.00 0.00 H new ATOM 0 HE2 HIS A 65 2.355 4.957 -4.989 1.00 0.00 H new ATOM 1038 N GLN A 66 -2.512 3.267 0.247 1.00 0.00 N ATOM 1039 CA GLN A 66 -3.295 3.279 1.511 1.00 0.00 C ATOM 1040 C GLN A 66 -2.728 4.297 2.504 1.00 0.00 C ATOM 1041 O GLN A 66 -3.431 5.164 2.980 1.00 0.00 O ATOM 1042 CB GLN A 66 -3.160 1.854 2.053 1.00 0.00 C ATOM 1043 CG GLN A 66 -3.970 0.891 1.178 1.00 0.00 C ATOM 1044 CD GLN A 66 -3.037 -0.092 0.450 1.00 0.00 C ATOM 1045 OE1 GLN A 66 -2.245 0.340 -0.500 1.00 0.00 O flip ATOM 1046 NE2 GLN A 66 -3.032 -1.270 0.749 1.00 0.00 N flip ATOM 0 H GLN A 66 -1.505 3.152 0.364 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.334 3.568 1.350 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.111 1.556 2.064 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.515 1.811 3.083 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.679 0.339 1.795 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.553 1.455 0.450 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.647 -1.611 1.488 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.413 -1.917 0.261 1.00 0.00 H new ATOM 1055 N ASP A 67 -1.467 4.185 2.826 1.00 0.00 N ATOM 1056 CA ASP A 67 -0.846 5.131 3.803 1.00 0.00 C ATOM 1057 C ASP A 67 -0.462 6.483 3.158 1.00 0.00 C ATOM 1058 O ASP A 67 -0.641 7.514 3.778 1.00 0.00 O ATOM 1059 CB ASP A 67 0.400 4.398 4.307 1.00 0.00 C ATOM 1060 CG ASP A 67 1.202 5.306 5.245 1.00 0.00 C ATOM 1061 OD1 ASP A 67 0.833 5.403 6.403 1.00 0.00 O ATOM 1062 OD2 ASP A 67 2.174 5.884 4.787 1.00 0.00 O ATOM 0 H ASP A 67 -0.836 3.476 2.453 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.543 5.387 4.601 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.109 3.488 4.831 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.020 4.096 3.463 1.00 0.00 H new ATOM 1067 N PRO A 68 0.078 6.451 1.951 1.00 0.00 N ATOM 1068 CA PRO A 68 0.498 7.712 1.281 1.00 0.00 C ATOM 1069 C PRO A 68 -0.693 8.549 0.775 1.00 0.00 C ATOM 1070 O PRO A 68 -0.653 9.762 0.842 1.00 0.00 O ATOM 1071 CB PRO A 68 1.354 7.237 0.111 1.00 0.00 C ATOM 1072 CG PRO A 68 0.871 5.853 -0.176 1.00 0.00 C ATOM 1073 CD PRO A 68 0.357 5.271 1.117 1.00 0.00 C ATOM 0 HA PRO A 68 1.026 8.370 1.971 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.234 7.886 -0.756 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.413 7.241 0.368 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.082 5.871 -0.928 1.00 0.00 H new ATOM 0 HG3 PRO A 68 1.679 5.241 -0.577 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -0.541 4.674 0.957 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.095 4.618 1.583 1.00 0.00 H new ATOM 1081 N ILE A 69 -1.738 7.941 0.246 1.00 0.00 N ATOM 1082 CA ILE A 69 -2.880 8.771 -0.277 1.00 0.00 C ATOM 1083 C ILE A 69 -4.245 8.338 0.325 1.00 0.00 C ATOM 1084 O ILE A 69 -5.232 8.240 -0.380 1.00 0.00 O ATOM 1085 CB ILE A 69 -2.819 8.625 -1.834 1.00 0.00 C ATOM 1086 CG1 ILE A 69 -3.758 7.530 -2.372 1.00 0.00 C ATOM 1087 CG2 ILE A 69 -1.389 8.285 -2.277 1.00 0.00 C ATOM 1088 CD1 ILE A 69 -3.630 6.253 -1.545 1.00 0.00 C ATOM 0 H ILE A 69 -1.848 6.931 0.155 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.788 9.816 0.017 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.142 9.583 -2.241 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.789 7.884 -2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.519 7.319 -3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.358 8.186 -3.362 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.713 9.081 -1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.079 7.346 -1.818 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.302 5.493 -1.943 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.603 5.890 -1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.893 6.463 -0.508 1.00 0.00 H new ATOM 1100 N PRO A 70 -4.272 8.127 1.627 1.00 0.00 N ATOM 1101 CA PRO A 70 -5.538 7.729 2.308 1.00 0.00 C ATOM 1102 C PRO A 70 -6.575 8.864 2.265 1.00 0.00 C ATOM 1103 O PRO A 70 -7.732 8.666 2.585 1.00 0.00 O ATOM 1104 CB PRO A 70 -5.104 7.456 3.746 1.00 0.00 C ATOM 1105 CG PRO A 70 -3.858 8.264 3.912 1.00 0.00 C ATOM 1106 CD PRO A 70 -3.160 8.244 2.578 1.00 0.00 C ATOM 0 HA PRO A 70 -6.014 6.871 1.833 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -5.872 7.758 4.458 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.916 6.395 3.911 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.094 9.285 4.212 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -3.222 7.842 4.690 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.580 9.152 2.412 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.469 7.405 2.496 1.00 0.00 H new ATOM 1114 N LYS A 71 -6.168 10.048 1.873 1.00 0.00 N ATOM 1115 CA LYS A 71 -7.127 11.196 1.812 1.00 0.00 C ATOM 1116 C LYS A 71 -8.062 11.059 0.598 1.00 0.00 C ATOM 1117 O LYS A 71 -9.231 11.386 0.676 1.00 0.00 O ATOM 1118 CB LYS A 71 -6.261 12.466 1.706 1.00 0.00 C ATOM 1119 CG LYS A 71 -5.253 12.354 0.551 1.00 0.00 C ATOM 1120 CD LYS A 71 -3.867 12.806 1.020 1.00 0.00 C ATOM 1121 CE LYS A 71 -3.262 11.746 1.949 1.00 0.00 C ATOM 1122 NZ LYS A 71 -1.837 12.161 2.107 1.00 0.00 N ATOM 0 H LYS A 71 -5.212 10.269 1.593 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.768 11.230 2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.901 13.334 1.551 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.728 12.626 2.643 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.208 11.325 0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.580 12.967 -0.289 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.216 12.964 0.160 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.943 13.760 1.542 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.777 11.719 2.909 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.340 10.748 1.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.216 11.432 1.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.681 13.063 1.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.619 12.277 3.117 1.00 0.00 H new ATOM 1136 N GLN A 72 -7.562 10.581 -0.518 1.00 0.00 N ATOM 1137 CA GLN A 72 -8.426 10.427 -1.731 1.00 0.00 C ATOM 1138 C GLN A 72 -7.780 9.438 -2.707 1.00 0.00 C ATOM 1139 O GLN A 72 -6.630 9.080 -2.546 1.00 0.00 O ATOM 1140 CB GLN A 72 -8.521 11.825 -2.379 1.00 0.00 C ATOM 1141 CG GLN A 72 -7.329 12.716 -1.992 1.00 0.00 C ATOM 1142 CD GLN A 72 -6.159 12.504 -2.963 1.00 0.00 C ATOM 1143 OE1 GLN A 72 -6.051 13.198 -3.954 1.00 0.00 O ATOM 1144 NE2 GLN A 72 -5.269 11.573 -2.721 1.00 0.00 N ATOM 0 H GLN A 72 -6.592 10.291 -0.640 1.00 0.00 H new ATOM 0 HA GLN A 72 -9.413 10.045 -1.471 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.560 11.721 -3.463 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.449 12.306 -2.071 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.632 13.763 -2.002 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.011 12.486 -0.975 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.356 10.988 -1.890 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.489 11.433 -3.364 1.00 0.00 H new ATOM 1153 N PRO A 73 -8.531 9.041 -3.708 1.00 0.00 N ATOM 1154 CA PRO A 73 -7.994 8.103 -4.723 1.00 0.00 C ATOM 1155 C PRO A 73 -6.835 8.778 -5.465 1.00 0.00 C ATOM 1156 O PRO A 73 -5.750 8.238 -5.543 1.00 0.00 O ATOM 1157 CB PRO A 73 -9.188 7.839 -5.639 1.00 0.00 C ATOM 1158 CG PRO A 73 -10.061 9.040 -5.445 1.00 0.00 C ATOM 1159 CD PRO A 73 -9.921 9.421 -3.994 1.00 0.00 C ATOM 0 HA PRO A 73 -7.595 7.176 -4.312 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.879 7.733 -6.679 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.706 6.920 -5.366 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.751 9.858 -6.095 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.098 8.813 -5.691 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.094 10.485 -3.834 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.628 8.884 -3.362 1.00 0.00 H new ATOM 1167 N SER A 74 -7.059 9.978 -5.969 1.00 0.00 N ATOM 1168 CA SER A 74 -5.984 10.745 -6.675 1.00 0.00 C ATOM 1169 C SER A 74 -5.497 10.011 -7.928 1.00 0.00 C ATOM 1170 O SER A 74 -4.940 8.938 -7.849 1.00 0.00 O ATOM 1171 CB SER A 74 -4.863 10.896 -5.633 1.00 0.00 C ATOM 1172 OG SER A 74 -3.740 10.089 -5.965 1.00 0.00 O ATOM 0 H SER A 74 -7.957 10.460 -5.917 1.00 0.00 H new ATOM 0 HA SER A 74 -6.340 11.711 -7.033 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.558 11.941 -5.572 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.238 10.615 -4.649 1.00 0.00 H new ATOM 0 HG SER A 74 -2.966 10.371 -5.434 1.00 0.00 H new ATOM 1178 N SER A 75 -5.706 10.594 -9.089 1.00 0.00 N ATOM 1179 CA SER A 75 -5.257 9.953 -10.372 1.00 0.00 C ATOM 1180 C SER A 75 -6.192 8.799 -10.788 1.00 0.00 C ATOM 1181 O SER A 75 -6.219 8.414 -11.938 1.00 0.00 O ATOM 1182 CB SER A 75 -3.834 9.446 -10.111 1.00 0.00 C ATOM 1183 OG SER A 75 -3.034 9.661 -11.264 1.00 0.00 O ATOM 0 H SER A 75 -6.172 11.494 -9.203 1.00 0.00 H new ATOM 0 HA SER A 75 -5.282 10.666 -11.196 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.403 9.965 -9.255 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.855 8.385 -9.863 1.00 0.00 H new ATOM 0 HG SER A 75 -2.103 9.805 -10.994 1.00 0.00 H new ATOM 1189 N GLN A 76 -6.962 8.253 -9.878 1.00 0.00 N ATOM 1190 CA GLN A 76 -7.894 7.143 -10.243 1.00 0.00 C ATOM 1191 C GLN A 76 -9.191 7.705 -10.855 1.00 0.00 C ATOM 1192 O GLN A 76 -9.652 7.205 -11.863 1.00 0.00 O ATOM 1193 CB GLN A 76 -8.196 6.413 -8.933 1.00 0.00 C ATOM 1194 CG GLN A 76 -7.216 5.253 -8.755 1.00 0.00 C ATOM 1195 CD GLN A 76 -6.270 5.561 -7.594 1.00 0.00 C ATOM 1196 OE1 GLN A 76 -6.367 4.964 -6.542 1.00 0.00 O ATOM 1197 NE2 GLN A 76 -5.355 6.481 -7.737 1.00 0.00 N ATOM 0 H GLN A 76 -6.984 8.530 -8.896 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.455 6.477 -10.986 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.115 7.103 -8.093 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.220 6.039 -8.941 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.761 4.329 -8.560 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.647 5.100 -9.672 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.271 6.984 -8.620 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.724 6.697 -6.965 1.00 0.00 H new ATOM 1206 N PRO A 77 -9.746 8.728 -10.227 1.00 0.00 N ATOM 1207 CA PRO A 77 -10.998 9.337 -10.740 1.00 0.00 C ATOM 1208 C PRO A 77 -10.727 10.203 -11.981 1.00 0.00 C ATOM 1209 O PRO A 77 -11.639 10.541 -12.711 1.00 0.00 O ATOM 1210 CB PRO A 77 -11.489 10.196 -9.580 1.00 0.00 C ATOM 1211 CG PRO A 77 -10.261 10.519 -8.790 1.00 0.00 C ATOM 1212 CD PRO A 77 -9.271 9.402 -9.004 1.00 0.00 C ATOM 0 HA PRO A 77 -11.727 8.589 -11.053 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -11.977 11.102 -9.939 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -12.219 9.660 -8.973 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -9.839 11.471 -9.112 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -10.502 10.619 -7.732 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.258 9.786 -9.128 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.251 8.719 -8.155 1.00 0.00 H new ATOM 1220 N ARG A 78 -9.487 10.570 -12.224 1.00 0.00 N ATOM 1221 CA ARG A 78 -9.181 11.421 -13.415 1.00 0.00 C ATOM 1222 C ARG A 78 -7.827 11.040 -14.042 1.00 0.00 C ATOM 1223 O ARG A 78 -7.090 11.892 -14.505 1.00 0.00 O ATOM 1224 CB ARG A 78 -9.141 12.855 -12.871 1.00 0.00 C ATOM 1225 CG ARG A 78 -7.991 13.009 -11.864 1.00 0.00 C ATOM 1226 CD ARG A 78 -8.111 14.356 -11.144 1.00 0.00 C ATOM 1227 NE ARG A 78 -7.720 15.368 -12.173 1.00 0.00 N ATOM 1228 CZ ARG A 78 -7.254 16.534 -11.805 1.00 0.00 C ATOM 1229 NH1 ARG A 78 -7.916 17.263 -10.942 1.00 0.00 N ATOM 1230 NH2 ARG A 78 -6.128 16.974 -12.305 1.00 0.00 N ATOM 0 H ARG A 78 -8.682 10.317 -11.651 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.923 11.296 -14.203 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.012 13.560 -13.692 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.089 13.096 -12.391 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.018 12.195 -11.140 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.033 12.945 -12.379 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.127 14.526 -10.787 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.455 14.401 -10.274 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.817 15.149 -13.164 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.796 16.922 -10.556 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.551 18.172 -10.656 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.615 16.408 -12.981 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.764 17.883 -12.019 1.00 0.00 H new ATOM 1244 N GLY A 79 -7.495 9.773 -14.066 1.00 0.00 N ATOM 1245 CA GLY A 79 -6.193 9.355 -14.668 1.00 0.00 C ATOM 1246 C GLY A 79 -6.240 7.867 -15.023 1.00 0.00 C ATOM 1247 O GLY A 79 -6.836 7.473 -16.008 1.00 0.00 O ATOM 0 H GLY A 79 -8.067 9.014 -13.696 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.989 9.945 -15.561 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.380 9.546 -13.967 1.00 0.00 H new ATOM 1251 N ASP A 80 -5.615 7.040 -14.223 1.00 0.00 N ATOM 1252 CA ASP A 80 -5.614 5.573 -14.499 1.00 0.00 C ATOM 1253 C ASP A 80 -6.962 4.957 -14.097 1.00 0.00 C ATOM 1254 O ASP A 80 -7.369 5.062 -12.956 1.00 0.00 O ATOM 1255 CB ASP A 80 -4.486 5.008 -13.632 1.00 0.00 C ATOM 1256 CG ASP A 80 -4.159 3.581 -14.079 1.00 0.00 C ATOM 1257 OD1 ASP A 80 -3.394 3.435 -15.018 1.00 0.00 O ATOM 1258 OD2 ASP A 80 -4.678 2.658 -13.472 1.00 0.00 O ATOM 0 H ASP A 80 -5.103 7.321 -13.387 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.466 5.351 -15.556 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.600 5.638 -13.715 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.783 5.012 -12.583 1.00 0.00 H new ATOM 1263 N PRO A 81 -7.609 4.325 -15.052 1.00 0.00 N ATOM 1264 CA PRO A 81 -8.918 3.682 -14.781 1.00 0.00 C ATOM 1265 C PRO A 81 -8.711 2.421 -13.932 1.00 0.00 C ATOM 1266 O PRO A 81 -8.607 1.321 -14.446 1.00 0.00 O ATOM 1267 CB PRO A 81 -9.448 3.336 -16.170 1.00 0.00 C ATOM 1268 CG PRO A 81 -8.223 3.219 -17.022 1.00 0.00 C ATOM 1269 CD PRO A 81 -7.190 4.159 -16.451 1.00 0.00 C ATOM 0 HA PRO A 81 -9.609 4.316 -14.225 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.013 2.404 -16.158 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.118 4.110 -16.543 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.852 2.194 -17.023 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.448 3.477 -18.057 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.186 3.742 -16.522 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.178 5.111 -16.981 1.00 0.00 H new ATOM 1277 N THR A 82 -8.641 2.580 -12.633 1.00 0.00 N ATOM 1278 CA THR A 82 -8.430 1.399 -11.737 1.00 0.00 C ATOM 1279 C THR A 82 -9.657 0.485 -11.764 1.00 0.00 C ATOM 1280 O THR A 82 -9.565 -0.678 -12.114 1.00 0.00 O ATOM 1281 CB THR A 82 -8.224 1.975 -10.327 1.00 0.00 C ATOM 1282 OG1 THR A 82 -8.998 3.158 -10.167 1.00 0.00 O ATOM 1283 CG2 THR A 82 -6.743 2.298 -10.118 1.00 0.00 C ATOM 0 H THR A 82 -8.721 3.477 -12.154 1.00 0.00 H new ATOM 0 HA THR A 82 -7.576 0.801 -12.055 1.00 0.00 H new ATOM 0 HB THR A 82 -8.544 1.238 -9.590 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.885 2.924 -9.822 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.597 2.706 -9.118 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.153 1.388 -10.228 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.422 3.030 -10.859 1.00 0.00 H new ATOM 1291 N GLY A 83 -10.801 0.999 -11.393 1.00 0.00 N ATOM 1292 CA GLY A 83 -12.034 0.165 -11.389 1.00 0.00 C ATOM 1293 C GLY A 83 -13.255 1.058 -11.138 1.00 0.00 C ATOM 1294 O GLY A 83 -13.793 1.641 -12.060 1.00 0.00 O ATOM 0 H GLY A 83 -10.932 1.965 -11.092 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.139 -0.353 -12.342 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.965 -0.601 -10.616 1.00 0.00 H new ATOM 1298 N PRO A 84 -13.658 1.126 -9.892 1.00 0.00 N ATOM 1299 CA PRO A 84 -14.823 1.930 -9.488 1.00 0.00 C ATOM 1300 C PRO A 84 -14.396 3.286 -8.893 1.00 0.00 C ATOM 1301 O PRO A 84 -15.214 4.017 -8.367 1.00 0.00 O ATOM 1302 CB PRO A 84 -15.453 1.041 -8.416 1.00 0.00 C ATOM 1303 CG PRO A 84 -14.321 0.182 -7.893 1.00 0.00 C ATOM 1304 CD PRO A 84 -13.090 0.463 -8.728 1.00 0.00 C ATOM 0 HA PRO A 84 -15.489 2.182 -10.313 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.894 1.639 -7.618 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.252 0.428 -8.833 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -14.128 0.405 -6.844 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -14.587 -0.874 -7.951 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -12.378 1.100 -8.203 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -12.562 -0.452 -8.997 1.00 0.00 H new ATOM 1312 N LYS A 85 -13.128 3.630 -8.972 1.00 0.00 N ATOM 1313 CA LYS A 85 -12.668 4.939 -8.409 1.00 0.00 C ATOM 1314 C LYS A 85 -12.762 6.049 -9.467 1.00 0.00 C ATOM 1315 O LYS A 85 -12.288 7.150 -9.258 1.00 0.00 O ATOM 1316 CB LYS A 85 -11.205 4.717 -8.005 1.00 0.00 C ATOM 1317 CG LYS A 85 -11.086 3.540 -7.025 1.00 0.00 C ATOM 1318 CD LYS A 85 -11.973 3.780 -5.797 1.00 0.00 C ATOM 1319 CE LYS A 85 -11.453 4.988 -5.011 1.00 0.00 C ATOM 1320 NZ LYS A 85 -12.614 5.413 -4.175 1.00 0.00 N ATOM 0 H LYS A 85 -12.397 3.062 -9.400 1.00 0.00 H new ATOM 0 HA LYS A 85 -13.284 5.251 -7.566 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -10.603 4.520 -8.892 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.808 5.622 -7.545 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.380 2.614 -7.520 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.048 3.419 -6.715 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -13.003 3.953 -6.109 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -11.977 2.895 -5.161 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -10.595 4.721 -4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.130 5.787 -5.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.345 6.238 -3.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -13.412 5.665 -4.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -12.894 4.632 -3.548 1.00 0.00 H new ATOM 1334 N GLU A 86 -13.369 5.773 -10.601 1.00 0.00 N ATOM 1335 CA GLU A 86 -13.490 6.810 -11.670 1.00 0.00 C ATOM 1336 C GLU A 86 -14.581 7.828 -11.310 1.00 0.00 C ATOM 1337 O GLU A 86 -15.672 7.406 -10.959 1.00 0.00 O ATOM 1338 CB GLU A 86 -13.866 6.031 -12.935 1.00 0.00 C ATOM 1339 CG GLU A 86 -12.708 5.107 -13.325 1.00 0.00 C ATOM 1340 CD GLU A 86 -13.033 4.399 -14.643 1.00 0.00 C ATOM 1341 OE1 GLU A 86 -12.702 4.944 -15.684 1.00 0.00 O ATOM 1342 OE2 GLU A 86 -13.606 3.324 -14.590 1.00 0.00 O ATOM 1343 OXT GLU A 86 -14.303 9.014 -11.388 1.00 0.00 O ATOM 0 H GLU A 86 -13.786 4.870 -10.829 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.569 7.378 -11.801 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.769 5.447 -12.761 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.085 6.722 -13.749 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.789 5.684 -13.428 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.536 4.372 -12.539 1.00 0.00 H new